smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCC2)c2ccccc2C)cc1 ZINC000197632584 853794912 /nfs/dbraw/zinc/79/49/12/853794912.db2.gz KOXHTLXFWLOVJI-UHFFFAOYSA-N 0 0 414.571 4.338 40 0 HIABRN COc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3cn(C)c4ccccc34)n2)cc1 ZINC000067898812 291265601 /nfs/dbraw/zinc/26/56/01/291265601.db2.gz NPYSLPZFHKSLHH-QHCPKHFHSA-N 0 0 402.498 4.151 40 0 biogenic,in-vitro HIABRN COc1ccc(NC(=O)N[C@@H]2C=C[C@@H](c3c(C)nn(-c4ccccn4)c3C)C2)cc1 ZINC000008623875 291266581 /nfs/dbraw/zinc/26/65/81/291266581.db2.gz YUTFQMWPUVMFOA-IEBWSBKVSA-N 0 0 403.486 4.127 40 0 biogenic,in-vitro HIABRN COc1ccc2c(c1)CN(C(=O)c1ccc(C(F)(F)F)cc1)CC[C@H]1COC(=O)N21 ZINC000225490210 291266814 /nfs/dbraw/zinc/26/68/14/291266814.db2.gz LUFFJTUBHJDJBQ-INIZCTEOSA-N 0 0 420.387 4.085 40 0 biogenic,in-vitro HIABRN Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccc(F)cc2)C1 ZINC000008297442 291268481 /nfs/dbraw/zinc/26/84/81/291268481.db2.gz XNAXIVZOFUFDDX-PKOBYXMFSA-N 0 0 402.469 4.222 40 0 biogenic,in-vitro HIABRN O=C(c1ccncc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3ccc4ccccc4c3)c12 ZINC000005415663 291270066 /nfs/dbraw/zinc/27/00/66/291270066.db2.gz QNNBSMASMNRZGW-FDDCHVKYSA-N 0 0 421.500 4.323 40 0 biogenic,in-vitro HIABRN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1N1CCCCS1(=O)=O ZINC000005135917 132302162 /nfs/dbraw/zinc/30/21/62/132302162.db2.gz OFUVONBVPMZNJQ-UHFFFAOYSA-N 0 0 412.433 4.196 40 0 HIABRN C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000005934064 132308678 /nfs/dbraw/zinc/30/86/78/132308678.db2.gz USFRIHXUBSMUIM-AWEZNQCLSA-N 0 0 412.839 4.475 40 0 HIABRN CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2ccc3ccccc3c2)CC1 ZINC000006306576 132310331 /nfs/dbraw/zinc/31/03/31/132310331.db2.gz ATLBUWSCYPQACH-UHFFFAOYSA-N 0 0 401.510 4.397 40 0 HIABRN C[C@@H]1CCCCN1c1ccc(NC(=O)c2ncoc2-c2ccc(F)cc2)cc1C(N)=O ZINC000012115098 132354245 /nfs/dbraw/zinc/35/42/45/132354245.db2.gz VMDVLMPODNVVCF-CQSZACIVSA-N 0 0 422.460 4.211 40 0 HIABRN CN(C(=O)c1ccccn1)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 ZINC000012326065 132358762 /nfs/dbraw/zinc/35/87/62/132358762.db2.gz YMJHRAATUDCYDL-UHFFFAOYSA-N 0 0 418.522 4.171 40 0 HIABRN CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Br)c2)cc1 ZINC000020611528 132470308 /nfs/dbraw/zinc/47/03/08/132470308.db2.gz JYZFFIZHGAMLEH-UHFFFAOYSA-N 0 0 419.319 4.325 40 0 HIABRN CC(C)C[C@@H](NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccccc1 ZINC000020456079 519244380 /nfs/dbraw/zinc/24/43/80/519244380.db2.gz ITGDMFCWZDFVHG-OXJNMPFZSA-N 0 0 422.978 4.398 40 0 HIABRN CC(=O)N1CC[C@@H](c2c3ccccc3sc2C(=O)N2CCc3ccccc3C2)C1 ZINC000072356261 519616698 /nfs/dbraw/zinc/61/66/98/519616698.db2.gz AGSSRYLXSHJBHZ-LJQANCHMSA-N 0 0 404.535 4.436 40 0 HIABRN CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1ccccc1F ZINC000225697681 519713823 /nfs/dbraw/zinc/71/38/23/519713823.db2.gz VOPOCRNQBDWNQG-GOSISDBHSA-N 0 0 416.562 4.043 40 0 HIABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(CC)cc1 ZINC000225274657 519895122 /nfs/dbraw/zinc/89/51/22/519895122.db2.gz JWRBJJURSIEOMP-QFIPXVFZSA-N 0 0 414.521 4.101 40 0 HIABRN CCCNC(=S)Nc1nc(N2C[C@@H](C)C[C@H](C)C2)cc(N2CCCCCC2)n1 ZINC000225886200 519906995 /nfs/dbraw/zinc/90/69/95/519906995.db2.gz CGOKDJGVKXDNQK-IRXDYDNUSA-N 0 0 404.628 4.036 40 0 HIABRN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 ZINC000020595482 520335256 /nfs/dbraw/zinc/33/52/56/520335256.db2.gz ZHEIQPBMLFIVDJ-UHFFFAOYSA-N 0 0 410.495 4.355 40 0 HIABRN CCOc1cc(CNC(=S)Nc2ccc(Cl)c(C(=O)OC)c2)ccc1OC ZINC000225770896 520706977 /nfs/dbraw/zinc/70/69/77/520706977.db2.gz HABSKYRUUCCWAL-UHFFFAOYSA-N 0 0 408.907 4.021 40 0 HIABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)cc1 ZINC000020326764 520803383 /nfs/dbraw/zinc/80/33/83/520803383.db2.gz KPSWOKWEZMYUFU-KRWDZBQOSA-N 0 0 418.559 4.247 40 0 HIABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 ZINC000044949619 520803413 /nfs/dbraw/zinc/80/34/13/520803413.db2.gz ZBCBGMUTCDYCGD-GOSISDBHSA-N 0 0 418.559 4.048 40 0 HIABRN CCOc1cccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000044904572 521357230 /nfs/dbraw/zinc/35/72/30/521357230.db2.gz SCFSNLPEEQCFDC-UHFFFAOYSA-N 0 0 424.522 4.125 40 0 HIABRN CCOc1ccccc1CCCNC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1 ZINC000044900621 521471020 /nfs/dbraw/zinc/47/10/20/521471020.db2.gz GLSAVJIPDMYGMV-MRXNPFEDSA-N 0 0 403.544 4.332 40 0 HIABRN CCCn1c2ccc(S(=O)(=O)N[C@H](CC)c3ccccc3C)cc2sc1=O ZINC000225734839 521637925 /nfs/dbraw/zinc/63/79/25/521637925.db2.gz FQFLWMBVXCIKNP-QGZVFWFLSA-N 0 0 404.557 4.211 40 0 HIABRN CC[C@@H](C(=O)N[C@@H](CC(C)C)c1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000020458205 521857186 /nfs/dbraw/zinc/85/71/86/521857186.db2.gz BNFKAFYZFBSQBS-SFTDATJTSA-N 0 0 420.550 4.274 40 0 HIABRN COc1cc(CN2[C@@H]3CC[C@H]2c2cnc4cc(C(C)(C)C)nn4c2C3)cc2c1OCO2 ZINC000072337373 522405491 /nfs/dbraw/zinc/40/54/91/522405491.db2.gz CWXIWBILGILQCX-WBVHZDCISA-N 0 0 420.513 4.026 40 0 HIABRN CC[C@@H](NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O)c1ccccc1 ZINC000044901440 522683281 /nfs/dbraw/zinc/68/32/81/522683281.db2.gz CAWCNXUPEOXKRI-HXUWFJFHSA-N 0 0 402.560 4.018 40 0 HIABRN CC[C@@H](NC(=O)[C@@H](CC)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000044844096 522757513 /nfs/dbraw/zinc/75/75/13/522757513.db2.gz IUAZIDKZHHPLEQ-WOJBJXKFSA-N 0 0 422.978 4.461 40 0 HIABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000020461024 522871792 /nfs/dbraw/zinc/87/17/92/522871792.db2.gz KQCIRIIAPAIMNM-QHCPKHFHSA-N 0 0 417.509 4.425 40 0 HIABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000020329859 523051068 /nfs/dbraw/zinc/05/10/68/523051068.db2.gz DBEXTZJDLXIOCV-HXUWFJFHSA-N 0 0 418.559 4.130 40 0 HIABRN COc1ccc(-c2cn3c(C)c(C(=O)Nc4onc5c4CSC5)sc3n2)cc1 ZINC000048985014 523142126 /nfs/dbraw/zinc/14/21/26/523142126.db2.gz JZDPVZXXWHEIGN-UHFFFAOYSA-N 0 0 412.496 4.367 40 0 HIABRN COCc1nn2c(nnc3c2ccn([C@H]2CCCC[C@@H]2C)c3=O)c1-c1ccccc1 ZINC000040391176 523251039 /nfs/dbraw/zinc/25/10/39/523251039.db2.gz VFGLYDIHRRTHNE-YJBOKZPZSA-N 0 0 403.486 4.004 40 0 HIABRN CN(c1ccccc1C(=O)N[C@H]1CCCc2ccccc21)S(=O)(=O)c1ccccc1 ZINC000044900713 523654800 /nfs/dbraw/zinc/65/48/00/523654800.db2.gz UCRQTPBPTDQQGT-QFIPXVFZSA-N 0 0 420.534 4.319 40 0 HIABRN COC(=O)[C@H]1CC(=O)N(c2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)C1 ZINC000045887671 523944159 /nfs/dbraw/zinc/94/41/59/523944159.db2.gz KXPZCUGVVQQSHN-NSHDSACASA-N 0 0 405.237 4.328 40 0 HIABRN Cc1ccc(C)c(N2C(SCc3cccc(Cl)c3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000032640962 524121814 /nfs/dbraw/zinc/12/18/14/524121814.db2.gz UNZNWGSFVHGRLP-HKUYNNGSSA-N 0 0 420.987 4.232 40 0 HIABRN Cc1ccc(C)c(N2C(SCc3cccc(Cl)c3)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000032640961 524122006 /nfs/dbraw/zinc/12/20/06/524122006.db2.gz UNZNWGSFVHGRLP-PKOBYXMFSA-N 0 0 420.987 4.232 40 0 HIABRN Cc1ccc(C)c(N2C(SCc3ccccc3Cl)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000032640474 524122164 /nfs/dbraw/zinc/12/21/64/524122164.db2.gz LABOCKCFWGWEJI-HKUYNNGSSA-N 0 0 420.987 4.232 40 0 HIABRN Cc1ccc(C)c(N2CCN([C@H](c3nnnn3C(C)(C)C)c3ccc(F)cc3)CC2)c1 ZINC000020139320 524128028 /nfs/dbraw/zinc/12/80/28/524128028.db2.gz MKQPQYWVGWDGFN-QFIPXVFZSA-N 0 0 422.552 4.096 40 0 HIABRN C[C@@H]1CCCN(c2cc(N3CCCC3)nc(NC(=S)NC3CCCCCC3)n2)C1 ZINC000226009761 524247027 /nfs/dbraw/zinc/24/70/27/524247027.db2.gz JOLAWVCDXKEKPW-QGZVFWFLSA-N 0 0 416.639 4.322 40 0 HIABRN COc1ccccc1-n1ccc2c(nnc3c(-c4ccc(Cl)cc4)c(C)nn32)c1=O ZINC000019821538 524305603 /nfs/dbraw/zinc/30/56/03/524305603.db2.gz OPRWCQAXSILIGJ-UHFFFAOYSA-N 0 0 417.856 4.066 40 0 HIABRN Cc1cc(C)cc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000032109589 524420217 /nfs/dbraw/zinc/42/02/17/524420217.db2.gz YOJLGFRIBXGBNT-UHFFFAOYSA-N 0 0 418.534 4.405 40 0 HIABRN Cc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(Cl)cc2)cc1C ZINC000032641086 524642174 /nfs/dbraw/zinc/64/21/74/524642174.db2.gz UPRIOOJHOAWMCH-OALUTQOASA-N 0 0 420.987 4.232 40 0 HIABRN Cc1ccc(N([C@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)S(C)(=O)=O)cc1C ZINC000020450912 524901407 /nfs/dbraw/zinc/90/14/07/524901407.db2.gz SGCJLIYNXHMXQU-KNQAVFIVSA-N 0 0 416.587 4.362 40 0 HIABRN Cc1ccc(N2C(SCc3ccc(C)c(C)c3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 ZINC000032641110 524933419 /nfs/dbraw/zinc/93/34/19/524933419.db2.gz SGRSJRQQOIIXFA-FPOVZHCZSA-N 0 0 414.596 4.195 40 0 HIABRN Cc1ccc(N2C(SCc3cccc(Cl)c3)=N[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1 ZINC000032640989 524934100 /nfs/dbraw/zinc/93/41/00/524934100.db2.gz DYRSLCXPRNXDLW-PKOBYXMFSA-N 0 0 420.987 4.232 40 0 HIABRN Cc1ccc(N2C(SCc3cccc(Cl)c3)=N[C@H]3CS(=O)(=O)C[C@@H]32)cc1C ZINC000032640950 524934133 /nfs/dbraw/zinc/93/41/33/524934133.db2.gz VTBFBCUWXZAFGV-OALUTQOASA-N 0 0 420.987 4.232 40 0 HIABRN Cc1cc(NC(=S)NCc2nc(-c3ccccc3)no2)ccc1Br ZINC000225813297 525261977 /nfs/dbraw/zinc/26/19/77/525261977.db2.gz RJRKRIBJKFXSJK-UHFFFAOYSA-N 0 0 403.305 4.294 40 0 HIABRN Cc1ccccc1[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1C)c1ccccc1 ZINC000044839967 525429600 /nfs/dbraw/zinc/42/96/00/525429600.db2.gz RIFNPIRLQYKVKQ-JOCHJYFZSA-N 0 0 408.523 4.194 40 0 HIABRN C[C@@H]1C[C@H]1C(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3nc(C(C)(C)C)cc3N2)C1 ZINC000072341378 525477014 /nfs/dbraw/zinc/47/70/14/525477014.db2.gz QSCXUSCYJMKIRQ-LBKYZSNHSA-N 0 0 412.500 4.363 40 0 HIABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N(C)C3CCCC3)c2)cc1 ZINC000044850020 525602905 /nfs/dbraw/zinc/60/29/05/525602905.db2.gz HIDIKCGXACBPJG-UHFFFAOYSA-N 0 0 406.935 4.464 40 0 HIABRN Cc1cc2nc([C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)cc(C(F)(F)F)n2n1 ZINC000072340918 525678810 /nfs/dbraw/zinc/67/88/10/525678810.db2.gz RIPXRROYNKDQSP-OAHLLOKOSA-N 0 0 420.410 4.144 40 0 HIABRN Cc1ccc([C@@H](NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c2ccccc2)cc1 ZINC000044899856 525769657 /nfs/dbraw/zinc/76/96/57/525769657.db2.gz KKNPMCANIXKNRR-CVDCTZTESA-N 0 0 422.550 4.055 40 0 HIABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000045646128 526249772 /nfs/dbraw/zinc/24/97/72/526249772.db2.gz CTPKIWUYYQXMEP-IAGOWNOFSA-N 0 0 403.544 4.167 40 0 HIABRN Cc1nn2c(ncc3c(=O)n(CCc4cccs4)ccc32)c1-c1ccc(F)cc1 ZINC000040397046 526312990 /nfs/dbraw/zinc/31/29/90/526312990.db2.gz ZECIEFFTYIXLPI-UHFFFAOYSA-N 0 0 404.470 4.463 40 0 HIABRN Cc1n[nH]cc1C(=O)N1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359690 526543458 /nfs/dbraw/zinc/54/34/58/526543458.db2.gz SVURFIZRQZSMBD-HNNXBMFYSA-N 0 0 415.419 4.214 40 0 HIABRN O=C(CCc1ccc(F)cc1)N1CCC[C@H](c2ccc(C(=O)NC3CCCC3)cn2)C1 ZINC000019754523 526588626 /nfs/dbraw/zinc/58/86/26/526588626.db2.gz ZATXUACNCZHWET-FQEVSTJZSA-N 0 0 423.532 4.232 40 0 HIABRN O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000019930569 526597142 /nfs/dbraw/zinc/59/71/42/526597142.db2.gz LRJDAOFWWBEPKJ-UHFFFAOYSA-N 0 0 413.326 4.005 40 0 HIABRN O=C(c1ccc(NC(=S)NC2(c3cccnc3)CCCC2)cc1)N1CCCCC1 ZINC000225870995 526700710 /nfs/dbraw/zinc/70/07/10/526700710.db2.gz FRFANTGNSVVHPX-UHFFFAOYSA-N 0 0 408.571 4.464 40 0 HIABRN O=C(N[C@H]1CCCc2c1cnn2Cc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000072396944 527038711 /nfs/dbraw/zinc/03/87/11/527038711.db2.gz PGDCEOQTBPAHGC-IBGZPJMESA-N 0 0 423.900 4.163 40 0 HIABRN Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)n1 ZINC000072346239 527562189 /nfs/dbraw/zinc/56/21/89/527562189.db2.gz ADKIADFTVGNBDZ-GOSISDBHSA-N 0 0 422.479 4.343 40 0 HIABRN Nc1ncc(-c2ccccc2)c([C@H]2CCCCN2C(=O)CCOc2ccccc2)n1 ZINC000072377274 527562945 /nfs/dbraw/zinc/56/29/45/527562945.db2.gz NZDOHOWPVQOPKY-OAQYLSRUSA-N 0 0 402.498 4.249 40 0 HIABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000006515709 537130403 /nfs/dbraw/zinc/13/04/03/537130403.db2.gz OINZXRYVWZBRKS-UHFFFAOYSA-N 0 0 413.543 4.067 40 0 HIABRN CCN(CC)[C@@H](c1nnnn1C1CCCCC1)c1cc2cc(C)cc(C)c2[nH]c1=O ZINC000000889976 557111946 /nfs/dbraw/zinc/11/19/46/557111946.db2.gz BVEPWOFWJJVLKF-OAQYLSRUSA-N 0 0 408.550 4.068 40 0 HIABRN Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1C ZINC000000894679 557113140 /nfs/dbraw/zinc/11/31/40/557113140.db2.gz ABJMEEVGZIFKNF-UHFFFAOYSA-N 0 0 402.907 4.087 40 0 HIABRN COC(=O)c1ccccc1NC(=O)[C@]12CC[C@](C)(c3nc4ccccc4nc31)C2(C)C ZINC000000936593 557120536 /nfs/dbraw/zinc/12/05/36/557120536.db2.gz VTMPOHQJYWNJOY-RPBOFIJWSA-N 0 0 415.493 4.384 40 0 HIABRN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(Br)cc1F ZINC000001311732 557254926 /nfs/dbraw/zinc/25/49/26/557254926.db2.gz ZHNFVHYXECKBSB-UHFFFAOYSA-N 0 0 401.688 4.297 40 0 HIABRN COc1ccccc1-c1ccc(Cn2c(C)nc3ccc(NC(C)=O)cc3c2=O)cc1 ZINC000001331517 557255946 /nfs/dbraw/zinc/25/59/46/557255946.db2.gz VGJWUCPQJNSSJF-UHFFFAOYSA-N 0 0 413.477 4.387 40 0 HIABRN Cc1cc2cc(CN(C[C@@H]3CCCO3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2cc1C ZINC000001371150 557257738 /nfs/dbraw/zinc/25/77/38/557257738.db2.gz YPVOMQGCSZNUBS-NRFANRHFSA-N 0 0 423.488 4.497 40 0 HIABRN CNC(=O)OCc1c(C)n(-c2ccccc2)c(-c2ccccc2)c1COC(=O)NC ZINC000001582304 557273844 /nfs/dbraw/zinc/27/38/44/557273844.db2.gz RGDRYDSTOXRCBL-UHFFFAOYSA-N 0 0 407.470 4.165 40 0 HIABRN Cc1ccc2c(c1)[C@]1(S[C@@H](C)C(=O)N1c1ccc(Br)cc1)C(=O)N2 ZINC000001608175 557275762 /nfs/dbraw/zinc/27/57/62/557275762.db2.gz WNGKAGGVWCDUSV-VOJFVSQTSA-N 0 0 403.301 4.031 40 0 HIABRN O=C(c1ccccc1)[C@H](c1ccccc1)[C@]1(O)C(=O)Nc2ccc(Br)cc21 ZINC000001624389 557277154 /nfs/dbraw/zinc/27/71/54/557277154.db2.gz YKEDCAYCWFVNAF-UGKGYDQZSA-N 0 0 422.278 4.256 40 0 HIABRN COP(=O)(OC)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 ZINC000001643392 557278319 /nfs/dbraw/zinc/27/83/19/557278319.db2.gz JNPODQMCWPFDKV-IBGZPJMESA-N 0 0 402.387 4.449 40 0 HIABRN CC(=O)CC(=O)Nc1ccc(-c2ccc(NC(=O)CC(C)=O)c(Cl)c2)cc1Cl ZINC000001649131 557278929 /nfs/dbraw/zinc/27/89/29/557278929.db2.gz KZKBMUSLSSFJSR-UHFFFAOYSA-N 0 0 421.280 4.496 40 0 HIABRN CN(C)S(=O)(=O)[C@H](c1ccccc1)[C@](O)(c1ccccc1)c1ccc(Cl)cc1 ZINC000001717715 557282737 /nfs/dbraw/zinc/28/27/37/557282737.db2.gz GVCDHFJRNIPQPN-YADHBBJMSA-N 0 0 415.942 4.209 40 0 HIABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCc4ccccc4C3)ccc2C)c1 ZINC000408543407 557360278 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ZINC000223557649 568551763 /nfs/dbraw/zinc/55/17/63/568551763.db2.gz INBJEIOOQYHTLP-RUZDIDTESA-N 0 0 416.521 4.144 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)(C)C ZINC000223590963 568552580 /nfs/dbraw/zinc/55/25/80/568552580.db2.gz SCGQJMAZBSTCDV-LJQANCHMSA-N 0 0 410.558 4.225 40 0 HIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1Cl ZINC000223594635 568552743 /nfs/dbraw/zinc/55/27/43/568552743.db2.gz LQYLFQXQROQGNI-HXUWFJFHSA-N 0 0 416.949 4.443 40 0 HIABRN Cc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCO)o2)cc1Cl ZINC000223596551 568552811 /nfs/dbraw/zinc/55/28/11/568552811.db2.gz JXCJFJAJRLGVCE-VQTJNVASSA-N 0 0 413.930 4.268 40 0 HIABRN OCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 ZINC000223629713 568554122 /nfs/dbraw/zinc/55/41/22/568554122.db2.gz NOUDEMBOCDBLGE-VQTJNVASSA-N 0 0 411.552 4.181 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)(C)C ZINC000223680635 568555960 /nfs/dbraw/zinc/55/59/60/568555960.db2.gz NRLXFZDYWOIEFO-IBGZPJMESA-N 0 0 410.558 4.225 40 0 HIABRN CCc1cc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)ccc1OC ZINC000223683832 568556113 /nfs/dbraw/zinc/55/61/13/568556113.db2.gz UWSKGKMNDVNSCS-UHFFFAOYSA-N 0 0 404.713 4.474 40 0 HIABRN CC(C)(C)c1ccccc1OCCNC(=O)CN1c2cccc3cccc(c23)C1=O ZINC000223685238 568556147 /nfs/dbraw/zinc/55/61/47/568556147.db2.gz UCCKGFAMDUUTGI-UHFFFAOYSA-N 0 0 402.494 4.293 40 0 HIABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1ccc(C)c(C)c1 ZINC000223703775 568556699 /nfs/dbraw/zinc/55/66/99/568556699.db2.gz UVXHLUKCZWFZIK-HSZRJFAPSA-N 0 0 424.585 4.447 40 0 HIABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(OC)cc1 ZINC000223710538 568556968 /nfs/dbraw/zinc/55/69/68/568556968.db2.gz FEJQBOFFLJJGPV-JOCHJYFZSA-N 0 0 410.558 4.002 40 0 HIABRN CC(C)(C)CC(C)(C)NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000223714199 568557068 /nfs/dbraw/zinc/55/70/68/568557068.db2.gz BLDHDYWQYYTVSD-UHFFFAOYSA-N 0 0 409.379 4.090 40 0 HIABRN CN(Cc1cccc(Oc2ccccc2)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000223728379 568557559 /nfs/dbraw/zinc/55/75/59/568557559.db2.gz HUESRJIBLFEXMV-UHFFFAOYSA-N 0 0 411.479 4.071 40 0 HIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(OC)cc1 ZINC000223738507 568557824 /nfs/dbraw/zinc/55/78/24/568557824.db2.gz CSRYRDIBBWSERW-HSZRJFAPSA-N 0 0 410.558 4.270 40 0 HIABRN COC(=O)c1cccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2C)c1 ZINC000223749763 568558119 /nfs/dbraw/zinc/55/81/19/568558119.db2.gz OKWXDBBHFBRBRB-JOCHJYFZSA-N 0 0 409.507 4.158 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1Cl ZINC000223772673 568558646 /nfs/dbraw/zinc/55/86/46/568558646.db2.gz MLYRKLLLUUXLHK-HNNXBMFYSA-N 0 0 422.953 4.266 40 0 HIABRN CCc1ccc(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223782320 568558958 /nfs/dbraw/zinc/55/89/58/568558958.db2.gz RUUMHQZYAZSEAC-HXUWFJFHSA-N 0 0 422.569 4.412 40 0 HIABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2CCOC)cc1 ZINC000223791871 568559201 /nfs/dbraw/zinc/55/92/01/568559201.db2.gz ZESIIWATIFUENH-VXKWHMMOSA-N 0 0 422.554 4.105 40 0 HIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1C ZINC000223809273 568559647 /nfs/dbraw/zinc/55/96/47/568559647.db2.gz NTWOMERLMQVGGX-NRFANRHFSA-N 0 0 414.521 4.237 40 0 HIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(OC)cc1 ZINC000223816280 568559813 /nfs/dbraw/zinc/55/98/13/568559813.db2.gz SPWDPJWKIFCNIL-QFIPXVFZSA-N 0 0 414.521 4.101 40 0 HIABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000223825871 568560074 /nfs/dbraw/zinc/56/00/74/568560074.db2.gz SSAVYYNWFOHOBR-HNNXBMFYSA-N 0 0 407.341 4.479 40 0 HIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccccc1 ZINC000223844284 568560752 /nfs/dbraw/zinc/56/07/52/568560752.db2.gz LAMAGWQSUCKKEG-KRWDZBQOSA-N 0 0 402.535 4.002 40 0 HIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(C(C)C)cc1 ZINC000223876764 568561605 /nfs/dbraw/zinc/56/16/05/568561605.db2.gz GAPTXJOTBTUAAE-SFHVURJKSA-N 0 0 414.521 4.271 40 0 HIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1c(F)cccc1Cl ZINC000223887216 568561908 /nfs/dbraw/zinc/56/19/08/568561908.db2.gz DGALYPCNBKBDSB-CQSZACIVSA-N 0 0 408.876 4.104 40 0 HIABRN Cc1ccc(N([C@@H](C)C(=O)Nc2ccc3c4c(cccc42)CC3)S(C)(=O)=O)cc1 ZINC000223890184 568562120 /nfs/dbraw/zinc/56/21/20/568562120.db2.gz DSDCJWICUAOWQY-INIZCTEOSA-N 0 0 408.523 4.040 40 0 HIABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1C ZINC000223892065 568562132 /nfs/dbraw/zinc/56/21/32/568562132.db2.gz NZAMBUYARCGISH-YADHBBJMSA-N 0 0 405.571 4.280 40 0 HIABRN COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c1 ZINC000223902011 568562486 /nfs/dbraw/zinc/56/24/86/568562486.db2.gz FHMNZMQQQSWSGZ-UHFFFAOYSA-N 0 0 409.935 4.245 40 0 HIABRN COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1Cl ZINC000223918895 568562880 /nfs/dbraw/zinc/56/28/80/568562880.db2.gz IUFJYULULZWORP-UHFFFAOYSA-N 0 0 416.886 4.402 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(C)cc1 ZINC000223918176 568562925 /nfs/dbraw/zinc/56/29/25/568562925.db2.gz AMCMVPOIIQFPNP-HNNXBMFYSA-N 0 0 423.340 4.234 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccs2)N1c1ccc(N2CCOCC2)cc1 ZINC000223919715 568562927 /nfs/dbraw/zinc/56/29/27/568562927.db2.gz BZLBPUYKJMTVIR-RTWAWAEBSA-N 0 0 422.579 4.157 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1C ZINC000223921030 568563017 /nfs/dbraw/zinc/56/30/17/568563017.db2.gz XQOUOQYNKKMGBA-HNNXBMFYSA-N 0 0 423.340 4.234 40 0 HIABRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc(OC)cc1 ZINC000223925174 568563108 /nfs/dbraw/zinc/56/31/08/568563108.db2.gz PTKLLKPULUTVPU-JOCHJYFZSA-N 0 0 424.522 4.377 40 0 HIABRN COc1ccc(CNC(=S)Nc2ccc(N3CCc4ccccc4C3)nc2)cc1 ZINC000223927149 568563150 /nfs/dbraw/zinc/56/31/50/568563150.db2.gz DWXZDSASJXKMBL-UHFFFAOYSA-N 0 0 404.539 4.140 40 0 HIABRN Cc1cccc(OCCNC(=O)COc2ccc(Br)cc2Cl)c1C ZINC000223936856 568563551 /nfs/dbraw/zinc/56/35/51/568563551.db2.gz LJKCGRRVBWMEAQ-UHFFFAOYSA-N 0 0 412.711 4.293 40 0 HIABRN Fc1ccc(CNC(=S)Nc2ccc(N3CCN(c4ccccc4)CC3)nc2)cc1 ZINC000223948015 568563969 /nfs/dbraw/zinc/56/39/69/568563969.db2.gz JVJOPRZACOEJKH-UHFFFAOYSA-N 0 0 421.545 4.034 40 0 HIABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccccc3Cl)c2)c1 ZINC000223948634 568564185 /nfs/dbraw/zinc/56/41/85/568564185.db2.gz ZUTRMPQEKAYSCE-UHFFFAOYSA-N 0 0 414.914 4.379 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cccc(C)c1 ZINC000223962321 568564628 /nfs/dbraw/zinc/56/46/28/568564628.db2.gz IZOFFRVFQWPIKT-HNNXBMFYSA-N 0 0 423.340 4.234 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 ZINC000223964864 568564711 /nfs/dbraw/zinc/56/47/11/568564711.db2.gz SSHRHVSYQMIODY-HNNXBMFYSA-N 0 0 407.341 4.398 40 0 HIABRN O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223974507 568565081 /nfs/dbraw/zinc/56/50/81/568565081.db2.gz GGDBYWNGRVHQGF-OHNRDTAOSA-N 0 0 404.919 4.059 40 0 HIABRN S=C(NCC1(c2ccccc2)CCCCC1)Nc1cnc(Br)cn1 ZINC000223992770 568565551 /nfs/dbraw/zinc/56/55/51/568565551.db2.gz JIXZWTWIBMQGHL-UHFFFAOYSA-N 0 0 405.365 4.428 40 0 HIABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCOc2ccccc2Cl)c1 ZINC000223998095 568565797 /nfs/dbraw/zinc/56/57/97/568565797.db2.gz JHOVSDWZPVZNMR-HKWRFOASSA-N 0 0 424.884 4.208 40 0 HIABRN C[C@H]1CCCCN1c1ccc(NC(=S)NCC2(c3ccccc3)CCOCC2)cn1 ZINC000224013196 568566395 /nfs/dbraw/zinc/56/63/95/568566395.db2.gz MLZMKFYDKURJFH-IBGZPJMESA-N 0 0 424.614 4.495 40 0 HIABRN CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000224017049 568566531 /nfs/dbraw/zinc/56/65/31/568566531.db2.gz BWBXYLYMNGEWRZ-LLVKDONJSA-N 0 0 401.315 4.323 40 0 HIABRN CC(C)n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc2c(c1)OCO2 ZINC000224021998 568566611 /nfs/dbraw/zinc/56/66/11/568566611.db2.gz HCHRFFYJEKLFFP-SFTDATJTSA-N 0 0 406.511 4.370 40 0 HIABRN CCCC[C@H](CC)CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000224027676 568566963 /nfs/dbraw/zinc/56/69/63/568566963.db2.gz WRABEMQJCPJXNS-INIZCTEOSA-N 0 0 414.999 4.461 40 0 HIABRN COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(F)c(F)c3)c2)cc1 ZINC000224042154 568567346 /nfs/dbraw/zinc/56/73/46/568567346.db2.gz RINCITZCQOQPGL-UHFFFAOYSA-N 0 0 418.421 4.027 40 0 HIABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000224052027 568567781 /nfs/dbraw/zinc/56/77/81/568567781.db2.gz UTMOQAWYMLBXRI-KRWDZBQOSA-N 0 0 418.990 4.169 40 0 HIABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)COc1ccc(Cl)cc1 ZINC000224052682 568567926 /nfs/dbraw/zinc/56/79/26/568567926.db2.gz YUFRCYRBQFPTPX-HNNXBMFYSA-N 0 0 420.912 4.190 40 0 HIABRN CCCCNC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000224067553 568568424 /nfs/dbraw/zinc/56/84/24/568568424.db2.gz PKGNDWUIYHBTRX-UHFFFAOYSA-N 0 0 401.315 4.324 40 0 HIABRN Cc1cccc(N(Cc2ccc(C(=O)NCC3CCCCC3)cc2)S(C)(=O)=O)c1 ZINC000224070545 568568460 /nfs/dbraw/zinc/56/84/60/568568460.db2.gz DNJHKOFGLXGKCS-UHFFFAOYSA-N 0 0 414.571 4.271 40 0 HIABRN Cc1ccc(C)c(OCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000224077761 568568867 /nfs/dbraw/zinc/56/88/67/568568867.db2.gz VUNBRYKMEIENJI-GOSISDBHSA-N 0 0 414.521 4.153 40 0 HIABRN CCOc1ccccc1CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000224081397 568569082 /nfs/dbraw/zinc/56/90/82/568569082.db2.gz CJAHNRVORXSNAR-UHFFFAOYSA-N 0 0 424.522 4.158 40 0 HIABRN COc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)Cc3cccc(C)c3)c2)cc1 ZINC000224097853 568569768 /nfs/dbraw/zinc/56/97/68/568569768.db2.gz FJIQRYUFPQGDGI-UHFFFAOYSA-N 0 0 424.522 4.077 40 0 HIABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3ccccc3F)ccc2C)cc1 ZINC000224100634 568569969 /nfs/dbraw/zinc/56/99/69/568569969.db2.gz GMGWHPIVHKEGEU-UHFFFAOYSA-N 0 0 412.486 4.173 40 0 HIABRN Cc1cccc(OCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1C ZINC000224110731 568570271 /nfs/dbraw/zinc/57/02/71/568570271.db2.gz SFURCJKGZSZFLZ-OAQYLSRUSA-N 0 0 422.569 4.201 40 0 HIABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccccc1C ZINC000224112778 568570419 /nfs/dbraw/zinc/57/04/19/568570419.db2.gz VEDORNDHUOJROK-QFIPXVFZSA-N 0 0 408.542 4.240 40 0 HIABRN C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1cccc(Cl)c1 ZINC000224111436 568570454 /nfs/dbraw/zinc/57/04/54/568570454.db2.gz RIYBMROZDUCZHE-SFHVURJKSA-N 0 0 412.961 4.401 40 0 HIABRN Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)NCCC2=CCCCC2)c1 ZINC000224119101 568570605 /nfs/dbraw/zinc/57/06/05/568570605.db2.gz SEABNHBTPITUIO-UHFFFAOYSA-N 0 0 412.555 4.440 40 0 HIABRN C[C@H](CNC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O)c1ccccc1 ZINC000224118386 568570622 /nfs/dbraw/zinc/57/06/22/568570622.db2.gz AYUKEPRUNXNDFQ-QGZVFWFLSA-N 0 0 408.523 4.049 40 0 HIABRN Cc1cccc(CN(C(=O)COc2ccc(Cl)cc2)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224143525 568571371 /nfs/dbraw/zinc/57/13/71/568571371.db2.gz ICUGXDRLBFGELB-SFHVURJKSA-N 0 0 416.949 4.217 40 0 HIABRN CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1 ZINC000224154533 568571796 /nfs/dbraw/zinc/57/17/96/568571796.db2.gz AWJXRUVYDZAERH-UHFFFAOYSA-N 0 0 402.422 4.042 40 0 HIABRN COCCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C ZINC000224162917 568572068 /nfs/dbraw/zinc/57/20/68/568572068.db2.gz BHXRMRHRYHNEBI-FCHUYYIVSA-N 0 0 406.555 4.323 40 0 HIABRN 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Cc1nn2c(nnc3c(=O)n(-c4ccccc4Cl)ccc32)c1-c1ccc(F)cc1 ZINC000019962683 558316066 /nfs/dbraw/zinc/31/60/66/558316066.db2.gz DSKVYMOPBBACOG-UHFFFAOYSA-N 0 0 405.820 4.196 40 0 HIABRN CCc1nn2c(nnc3c(=O)n(-c4ccccc4Cl)ccc32)c1-c1ccc(F)cc1 ZINC000019962744 558316240 /nfs/dbraw/zinc/31/62/40/558316240.db2.gz VKPFDFVXQBOWPD-UHFFFAOYSA-N 0 0 419.847 4.450 40 0 HIABRN Cc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)c3cc(C(C)C)n[nH]3)cc2n1 ZINC000012087921 558322620 /nfs/dbraw/zinc/32/26/20/558322620.db2.gz NOJIDWSTMNJTQX-MRXNPFEDSA-N 0 0 420.439 4.270 40 0 HIABRN Cc1ncc(-c2ccncc2)c(C2CCN(C(=O)c3cccc4ncccc43)CC2)n1 ZINC000012088668 558323138 /nfs/dbraw/zinc/32/31/38/558323138.db2.gz CRUSGZKGJPMCDI-UHFFFAOYSA-N 0 0 409.493 4.415 40 0 HIABRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(Br)cc2)cc1Cl ZINC000020029813 558324011 /nfs/dbraw/zinc/32/40/11/558324011.db2.gz NKXIXGSNRBBVNP-SNVBAGLBSA-N 0 0 404.713 4.151 40 0 HIABRN COc1ccc(OC[C@@H](C)NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 ZINC000020040375 558325909 /nfs/dbraw/zinc/32/59/09/558325909.db2.gz CZZIYMWJFNAWRN-LJQANCHMSA-N 0 0 416.521 4.455 40 0 HIABRN COc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)cc2)c(Cl)c1Cl ZINC000020041288 558326060 /nfs/dbraw/zinc/32/60/60/558326060.db2.gz ZUSZERSZFVBRLM-UHFFFAOYSA-N 0 0 404.315 4.268 40 0 HIABRN Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)c(C)c1 ZINC000020041883 558326088 /nfs/dbraw/zinc/32/60/88/558326088.db2.gz FRWUKSGCQDRVCN-IBGZPJMESA-N 0 0 414.571 4.277 40 0 HIABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(I)cc1 ZINC000020043150 558326514 /nfs/dbraw/zinc/32/65/14/558326514.db2.gz FOTMLWFCMDSTFN-INIZCTEOSA-N 0 0 411.239 4.096 40 0 HIABRN C[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1ccc(F)cc1 ZINC000020049697 558328242 /nfs/dbraw/zinc/32/82/42/558328242.db2.gz WQLLSCYJWQBPKD-CQSZACIVSA-N 0 0 418.515 4.203 40 0 HIABRN CCOc1ccc(OCC)c(NCc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)c1 ZINC000012118158 558329648 /nfs/dbraw/zinc/32/96/48/558329648.db2.gz DDDVFSBWYBCEQZ-UHFFFAOYSA-N 0 0 418.497 4.432 40 0 HIABRN CCOC(=O)C1(Cc2cc(-c3ccccc3)no2)CCN(Cc2cccnc2)CC1 ZINC000012132460 558332997 /nfs/dbraw/zinc/33/29/97/558332997.db2.gz WZMOJHHWTUYSJY-UHFFFAOYSA-N 0 0 405.498 4.125 40 0 HIABRN O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccccc1I ZINC000020137876 558338011 /nfs/dbraw/zinc/33/80/11/558338011.db2.gz GGHXEYMBTJJSGD-UHFFFAOYSA-N 0 0 419.218 4.296 40 0 HIABRN O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccccc1F ZINC000020151713 558341001 /nfs/dbraw/zinc/34/10/01/558341001.db2.gz BKEYLJKHTJWNJM-UHFFFAOYSA-N 0 0 404.850 4.358 40 0 HIABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1cccc(Cl)c1 ZINC000020151845 558341176 /nfs/dbraw/zinc/34/11/76/558341176.db2.gz PNFJZZSCRGOEGM-UHFFFAOYSA-N 0 0 416.886 4.228 40 0 HIABRN COc1cccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)c1 ZINC000020152638 558341486 /nfs/dbraw/zinc/34/14/86/558341486.db2.gz HGQUPMQLEPWLAX-UHFFFAOYSA-N 0 0 416.886 4.228 40 0 HIABRN O=C(c1nccc2ccccc21)N1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000012184431 558344291 /nfs/dbraw/zinc/34/42/91/558344291.db2.gz HBQCANOCTNKOLU-INIZCTEOSA-N 0 0 407.857 4.273 40 0 HIABRN O=C(c1cc2c(s1)CCC2)N1CCC[C@H](n2nnc3cc(C(F)(F)F)ccc32)C1 ZINC000012184925 558344485 /nfs/dbraw/zinc/34/44/85/558344485.db2.gz GXUPUBAVSGNRDJ-AWEZNQCLSA-N 0 0 420.460 4.478 40 0 HIABRN Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CN[C@H](c3ccco3)c3ccccc3)cc12 ZINC000012186461 558345742 /nfs/dbraw/zinc/34/57/42/558345742.db2.gz GJMXNASKRUNKHO-QHCPKHFHSA-N 0 0 410.477 4.494 40 0 HIABRN Cc1noc(C)c1Cc1c(C)onc1C(=O)N[C@H](Cc1ccsc1)c1cccnc1 ZINC000012228658 558357569 /nfs/dbraw/zinc/35/75/69/558357569.db2.gz LPPZLHPUUSVKHN-HXUWFJFHSA-N 0 0 422.510 4.349 40 0 HIABRN COCCC(=O)N1CCCC[C@H]1c1cc2nc(C(C)(C)C)cc(C(F)(F)F)n2n1 ZINC000012230045 558357786 /nfs/dbraw/zinc/35/77/86/558357786.db2.gz QXBCJRXJDILUNY-AWEZNQCLSA-N 0 0 412.456 4.136 40 0 HIABRN CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)CC[C@H]3CCCO3)cc2n1 ZINC000012230492 558358066 /nfs/dbraw/zinc/35/80/66/558358066.db2.gz LBMBPYZLQBHXIF-PBHICJAKSA-N 0 0 424.467 4.494 40 0 HIABRN COCc1ccc(C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)cc1 ZINC000012238691 558359396 /nfs/dbraw/zinc/35/93/96/558359396.db2.gz VHDVXIYSBQNAQN-NRFANRHFSA-N 0 0 402.498 4.129 40 0 HIABRN COc1cc2c(cc1OC)[C@@H](c1ccncc1)N(Cc1cnc(C(C)C)nc1)CC2 ZINC000012240805 558360347 /nfs/dbraw/zinc/36/03/47/558360347.db2.gz MVMHVCJXRSKPRI-HSZRJFAPSA-N 0 0 404.514 4.160 40 0 HIABRN CCOc1ccc(C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)cc1 ZINC000012275682 558363949 /nfs/dbraw/zinc/36/39/49/558363949.db2.gz HTUDHWIMXCWHNA-NRFANRHFSA-N 0 0 402.498 4.381 40 0 HIABRN CCc1noc(CC)c1C(=O)N[C@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21 ZINC000012276292 558364214 /nfs/dbraw/zinc/36/42/14/558364214.db2.gz HUFOQTCWAJPOMR-SFHVURJKSA-N 0 0 405.502 4.095 40 0 HIABRN CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)c3ccccn3)cc2N1 ZINC000012276183 558364242 /nfs/dbraw/zinc/36/42/42/558364242.db2.gz DQYXYQJERVULGN-XOKHGSTOSA-N 0 0 407.440 4.343 40 0 HIABRN CCS(=O)(=O)N1c2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2C[C@H]1C ZINC000020449081 558364252 /nfs/dbraw/zinc/36/42/52/558364252.db2.gz CUHXVGYXWBROFY-LLVKDONJSA-N 0 0 413.326 4.346 40 0 HIABRN CCS(=O)(=O)N1c2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2C[C@H]1C ZINC000020449091 558364266 /nfs/dbraw/zinc/36/42/66/558364266.db2.gz HRVPSHBWERKRGD-LLVKDONJSA-N 0 0 413.326 4.346 40 0 HIABRN Cc1nccn1-c1ccc(CNS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000020455891 558369559 /nfs/dbraw/zinc/36/95/59/558369559.db2.gz ISHCXBLPNKKOCX-UHFFFAOYSA-N 0 0 410.326 4.107 40 0 HIABRN CC(C)C[C@H](NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccccc1 ZINC000020456080 558369747 /nfs/dbraw/zinc/36/97/47/558369747.db2.gz ITGDMFCWZDFVHG-JXFKEZNVSA-N 0 0 422.978 4.398 40 0 HIABRN O=S(=O)(NCCCN1CCc2ccccc21)c1ccc(Oc2ccccc2)cc1 ZINC000020456923 558370193 /nfs/dbraw/zinc/37/01/93/558370193.db2.gz QWJGJGRPHIBBAA-UHFFFAOYSA-N 0 0 408.523 4.210 40 0 HIABRN COc1ccc(S[C@@H](C)C(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1OC ZINC000020457825 558370706 /nfs/dbraw/zinc/37/07/06/558370706.db2.gz KKUBXVGGGVGPGA-HNNXBMFYSA-N 0 0 419.543 4.297 40 0 HIABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1 ZINC000020458694 558371555 /nfs/dbraw/zinc/37/15/55/558371555.db2.gz KCDDZUUYTNXCJK-GJZGRUSLSA-N 0 0 416.543 4.351 40 0 HIABRN Cc1ccc(CN(C)C(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020462001 558373498 /nfs/dbraw/zinc/37/34/98/558373498.db2.gz DKMOVTCQGIITKY-UHFFFAOYSA-N 0 0 422.550 4.401 40 0 HIABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000020483208 558375725 /nfs/dbraw/zinc/37/57/25/558375725.db2.gz WASKSEYMVUVWEJ-HXUWFJFHSA-N 0 0 423.900 4.461 40 0 HIABRN CCOc1ccccc1CNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000020491449 558377918 /nfs/dbraw/zinc/37/79/18/558377918.db2.gz VYVHGAQTLXSZDQ-UHFFFAOYSA-N 0 0 424.522 4.125 40 0 HIABRN O=C(NCc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000020491255 558377943 /nfs/dbraw/zinc/37/79/43/558377943.db2.gz QWJRUOTUERCPMQ-UHFFFAOYSA-N 0 0 400.887 4.071 40 0 HIABRN CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000020490955 558377982 /nfs/dbraw/zinc/37/79/82/558377982.db2.gz JUYWIXIDLIUQMS-QFIPXVFZSA-N 0 0 408.523 4.393 40 0 HIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2Cl)cc1 ZINC000020491105 558377998 /nfs/dbraw/zinc/37/79/98/558377998.db2.gz AFMUYFRSRRPJAH-UHFFFAOYSA-N 0 0 406.935 4.321 40 0 HIABRN CCc1nc(SCc2ccc(NC(=O)c3ccc(Br)o3)cc2)n[nH]1 ZINC000020611423 558391522 /nfs/dbraw/zinc/39/15/22/558391522.db2.gz XMVJBLKAEASDBW-UHFFFAOYSA-N 0 0 407.293 4.267 40 0 HIABRN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(OCC)c(OC)c1 ZINC000020633394 558395198 /nfs/dbraw/zinc/39/51/98/558395198.db2.gz INBYDSRFEKCROC-NRFANRHFSA-N 0 0 407.470 4.296 40 0 HIABRN CCOC(=O)[C@@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1ccc(OCCC(C)C)cc1 ZINC000020637555 558396688 /nfs/dbraw/zinc/39/66/88/558396688.db2.gz AEOGWRAUXPFLSD-SFTDATJTSA-N 0 0 421.497 4.182 40 0 HIABRN CCCCCN1c2nc3ccccc3n2[C@H](c2ccccc2F)[C@@H](C(=O)OCC)C1=O ZINC000020675899 558399888 /nfs/dbraw/zinc/39/98/88/558399888.db2.gz JHDWPUIQUCEYPK-NHCUHLMSSA-N 0 0 423.488 4.481 40 0 HIABRN CCCCCN1c2nc3ccccc3n2[C@H](c2ccc(O)cc2)[C@@H](C(=O)OCC)C1=O ZINC000020675838 558399942 /nfs/dbraw/zinc/39/99/42/558399942.db2.gz WZJKPXNGZNHCPM-NHCUHLMSSA-N 0 0 421.497 4.047 40 0 HIABRN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)C[C@@H]1C(=O)Nc1cccc(C)c1 ZINC000020798611 558415147 /nfs/dbraw/zinc/41/51/47/558415147.db2.gz LTZKHNGZYSJIHW-FQEVSTJZSA-N 0 0 406.482 4.132 40 0 HIABRN COc1ccc(CCN2Cc3cc4c(C)nn(-c5ccccc5)c4nc3OC2=O)cc1 ZINC000012755281 558459866 /nfs/dbraw/zinc/45/98/66/558459866.db2.gz VMTKVVMRDCKQHL-UHFFFAOYSA-N 0 0 414.465 4.295 40 0 HIABRN CCn1cc(C(=O)Nc2ccc(Br)cc2F)c(=O)c2cc(OC)ccc21 ZINC000022235803 558470498 /nfs/dbraw/zinc/47/04/98/558470498.db2.gz DNYMNVRFAHKJPR-UHFFFAOYSA-N 0 0 419.250 4.184 40 0 HIABRN CCn1cc(C(=O)Nc2cccc(C(C)=O)c2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236866 558470869 /nfs/dbraw/zinc/47/08/69/558470869.db2.gz UWCUFCBFOJTLIL-UHFFFAOYSA-N 0 0 402.372 4.495 40 0 HIABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1C ZINC000022374602 558484365 /nfs/dbraw/zinc/48/43/65/558484365.db2.gz YLXGEKVQEYABGS-GOSISDBHSA-N 0 0 416.587 4.244 40 0 HIABRN Cc1cccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)c1C ZINC000022383274 558485037 /nfs/dbraw/zinc/48/50/37/558485037.db2.gz NEYJYEGGKKGMLG-UHFFFAOYSA-N 0 0 418.515 4.338 40 0 HIABRN COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000022510920 558492999 /nfs/dbraw/zinc/49/29/99/558492999.db2.gz MFRSPLKKIOUMAS-UHFFFAOYSA-N 0 0 407.797 4.087 40 0 HIABRN O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000022526563 558495831 /nfs/dbraw/zinc/49/58/31/558495831.db2.gz KASUYHDQTUHRGE-UHFFFAOYSA-N 0 0 408.505 4.365 40 0 HIABRN CC[C@@H](NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O)c1ccccc1 ZINC000022529335 558496588 /nfs/dbraw/zinc/49/65/88/558496588.db2.gz CVKYXINYZLZSCF-MRXNPFEDSA-N 0 0 415.342 4.027 40 0 HIABRN CCN(CC(=O)N[C@@H](C)c1cc(C)c(C)cc1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000022536175 558498124 /nfs/dbraw/zinc/49/81/24/558498124.db2.gz NTKUYRSJIFGGOJ-KRWDZBQOSA-N 0 0 422.978 4.153 40 0 HIABRN CCCNS(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 ZINC000022537700 558498523 /nfs/dbraw/zinc/49/85/23/558498523.db2.gz SAZVOAWOHWZBDS-IBGZPJMESA-N 0 0 416.587 4.110 40 0 HIABRN COc1ccc(C(=O)Nc2cc(C)ccc2C)cc1S(=O)(=O)N1CCCCCC1 ZINC000013581541 558544977 /nfs/dbraw/zinc/54/49/77/558544977.db2.gz CLGDCWNRNABYFY-UHFFFAOYSA-N 0 0 416.543 4.129 40 0 HIABRN CCOC(=O)c1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2Cl)c(C)c1 ZINC000013632444 558552709 /nfs/dbraw/zinc/55/27/09/558552709.db2.gz SZNPLZPNBIIRQH-UHFFFAOYSA-N 0 0 402.299 4.420 40 0 HIABRN CCCCCN1c2ccccc2[C@@]2(C1=O)c1[nH]c3ccccc3c1CCN2C(C)=O ZINC000013635431 558553879 /nfs/dbraw/zinc/55/38/79/558553879.db2.gz OPKCGGQGNDXVOG-VWLOTQADSA-N 0 0 401.510 4.353 40 0 HIABRN CCOc1cccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c1 ZINC000013647420 558557233 /nfs/dbraw/zinc/55/72/33/558557233.db2.gz DDMJAKJMSWCKII-UHFFFAOYSA-N 0 0 410.495 4.163 40 0 HIABRN CC1(C)C[C@H](NC(=O)c2ccccc2I)c2ccccc2O1 ZINC000013649286 558557907 /nfs/dbraw/zinc/55/79/07/558557907.db2.gz AETXAKZTNBIANV-HNNXBMFYSA-N 0 0 407.251 4.323 40 0 HIABRN Cc1cccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000013649784 558558117 /nfs/dbraw/zinc/55/81/17/558558117.db2.gz MGIFSIBNOSBBNH-UHFFFAOYSA-N 0 0 420.962 4.143 40 0 HIABRN Cc1cccc(CNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)c1 ZINC000013669218 558560881 /nfs/dbraw/zinc/56/08/81/558560881.db2.gz DJVVKWMHEWSOFF-UHFFFAOYSA-N 0 0 422.550 4.124 40 0 HIABRN Cc1ccc(C(=O)NCCCc2ccccc2)cc1NS(=O)(=O)c1ccccc1 ZINC000013670281 558561763 /nfs/dbraw/zinc/56/17/63/558561763.db2.gz VCXNPZVXHBNHLU-UHFFFAOYSA-N 0 0 408.523 4.158 40 0 HIABRN Cc1cc(C(=O)N2c3ccccc3C[C@H]2C)ccc1NS(=O)(=O)c1ccccc1 ZINC000013671147 558562352 /nfs/dbraw/zinc/56/23/52/558562352.db2.gz HQGQSVNKKGCZMD-QGZVFWFLSA-N 0 0 406.507 4.387 40 0 HIABRN Cc1ccc(N(CC(=O)N(C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1C ZINC000013676094 558564447 /nfs/dbraw/zinc/56/44/47/558564447.db2.gz LUWBLFHHPIKYQH-UHFFFAOYSA-N 0 0 408.523 4.162 40 0 HIABRN CN(c1ccc(C(=O)NCc2ccccc2Cl)cc1)S(=O)(=O)c1cccs1 ZINC000013677164 558564955 /nfs/dbraw/zinc/56/49/55/558564955.db2.gz VXPVASQAUVFYMT-UHFFFAOYSA-N 0 0 420.943 4.157 40 0 HIABRN COc1ccc(C)cc1NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000013678471 558565356 /nfs/dbraw/zinc/56/53/56/558565356.db2.gz QBNACJYDKPPNMB-UHFFFAOYSA-N 0 0 416.524 4.143 40 0 HIABRN CCCNC(=O)c1ccccc1NC(=O)COc1cc(C)c(Br)c(C)c1 ZINC000013683720 558568103 /nfs/dbraw/zinc/56/81/03/558568103.db2.gz PVUJBDOUAWYCFL-UHFFFAOYSA-N 0 0 419.319 4.223 40 0 HIABRN C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000013708632 558575127 /nfs/dbraw/zinc/57/51/27/558575127.db2.gz NQSQCFAARKUDIO-KRWDZBQOSA-N 0 0 424.522 4.030 40 0 HIABRN CC[C@@H](C(=O)Nc1c(Cl)cccc1Cl)N(c1ccccc1)S(C)(=O)=O ZINC000013711762 558576340 /nfs/dbraw/zinc/57/63/40/558576340.db2.gz LOMZZBRYGFAAOM-HNNXBMFYSA-N 0 0 401.315 4.177 40 0 HIABRN CC[C@@H](C(=O)NC1CCCCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712795 558576983 /nfs/dbraw/zinc/57/69/83/558576983.db2.gz FTXXYVVQZNVKDO-SFHVURJKSA-N 0 0 400.972 4.114 40 0 HIABRN CCc1cccc(C)c1NC(=O)[C@H](CC)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714666 558578309 /nfs/dbraw/zinc/57/83/09/558578309.db2.gz HCOOPSACKLLSJD-SFHVURJKSA-N 0 0 408.951 4.394 40 0 HIABRN CC[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715300 558578769 /nfs/dbraw/zinc/57/87/69/558578769.db2.gz PZMODIDFOIDRTK-MRXNPFEDSA-N 0 0 419.305 4.316 40 0 HIABRN CCc1cccc(CC)c1NC(=O)[C@H](CC)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715623 558579027 /nfs/dbraw/zinc/57/90/27/558579027.db2.gz NOMQUDCCTSUYPR-IBGZPJMESA-N 0 0 406.523 4.134 40 0 HIABRN CC[C@H](C(=O)Nc1c(Cl)cccc1Cl)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715936 558579216 /nfs/dbraw/zinc/57/92/16/558579216.db2.gz DMSYXSYJTCOMEN-OAHLLOKOSA-N 0 0 419.305 4.316 40 0 HIABRN CC[C@H](C(=O)Nc1ccc(OC(C)C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716707 558579762 /nfs/dbraw/zinc/57/97/62/558579762.db2.gz BLYHQXBDPUQLNI-OAQYLSRUSA-N 0 0 418.559 4.274 40 0 HIABRN CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(OC)cc1 ZINC000024637224 558606013 /nfs/dbraw/zinc/60/60/13/558606013.db2.gz RUSBSFZHPACYFN-JOCHJYFZSA-N 0 0 424.522 4.377 40 0 HIABRN CCOc1cc(OCC)cc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)c1 ZINC000026123998 558655903 /nfs/dbraw/zinc/65/59/03/558655903.db2.gz KARJWNFBRCDCTL-UHFFFAOYSA-N 0 0 402.454 4.470 40 0 HIABRN CCOCCCN1Cc2c(C(=O)OCC)sc3sc(C(=O)OCC)c(c23)C1 ZINC000026417459 558660565 /nfs/dbraw/zinc/66/05/65/558660565.db2.gz XRVKSFZJCODREL-UHFFFAOYSA-N 0 0 411.545 4.058 40 0 HIABRN COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccccc3)o2)cc1 ZINC000039761573 558685545 /nfs/dbraw/zinc/68/55/45/558685545.db2.gz IQMKGBKLDXVWTN-UHFFFAOYSA-N 0 0 414.421 4.250 40 0 HIABRN CCOc1ccc([C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000029774250 558720595 /nfs/dbraw/zinc/72/05/95/558720595.db2.gz RBVVTDLJLOPXLT-QGZVFWFLSA-N 0 0 424.522 4.377 40 0 HIABRN CCn1ncc([C@H](C)NC(=O)c2cc(C)nc3onc(-c4ccc(OC)cc4)c32)c1C ZINC000036618916 558739831 /nfs/dbraw/zinc/73/98/31/558739831.db2.gz OYVJDHFCZMYBJI-AWEZNQCLSA-N 0 0 419.485 4.223 40 0 HIABRN CC(=O)c1cc(C)ccc1OC(=O)c1cccc(N2C(=O)[C@H]3CC[C@@H](C)C[C@@H]3C2=O)c1 ZINC000100397796 558742807 /nfs/dbraw/zinc/74/28/07/558742807.db2.gz YGMRETPRTFWPOO-RFVSGWPVSA-N 0 0 419.477 4.342 40 0 HIABRN COc1ccccc1[C@H](c1c2c(sc1NC(C)=O)CCCC2)N1CCOCC1 ZINC000020192279 558756248 /nfs/dbraw/zinc/75/62/48/558756248.db2.gz YWKKJTFQUKAJGO-OAQYLSRUSA-N 0 0 400.544 4.016 40 0 HIABRN CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1 ZINC000015960799 558764238 /nfs/dbraw/zinc/76/42/38/558764238.db2.gz CRJXYFAMHQDTOJ-UHFFFAOYSA-N 0 0 418.559 4.103 40 0 HIABRN Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4C)[C@H](c4cccs4)[C@@H]3C2=O)c1 ZINC000100622779 558765029 /nfs/dbraw/zinc/76/50/29/558765029.db2.gz LTLGWXSSEIRPKA-HBMCJLEFSA-N 0 0 404.491 4.416 40 0 HIABRN CSc1ccc([C@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)cc1 ZINC000100622712 558765188 /nfs/dbraw/zinc/76/51/88/558765188.db2.gz UMMITTVSECNVIF-FSSWDIPSSA-N 0 0 416.502 4.460 40 0 HIABRN O=C(/C=C\c1ccc(Cl)cc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000033290964 558765471 /nfs/dbraw/zinc/76/54/71/558765471.db2.gz DBXFMQNJWDFZCJ-UTCJRWHESA-N 0 0 419.308 4.080 40 0 HIABRN CCOc1ccccc1NC(=O)CN1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000035291772 558789501 /nfs/dbraw/zinc/78/95/01/558789501.db2.gz YDVQNGQLEIURCU-UHFFFAOYSA-N 0 0 412.921 4.433 40 0 HIABRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000016491362 558794594 /nfs/dbraw/zinc/79/45/94/558794594.db2.gz QEGBGAMFCGTZIN-UHFFFAOYSA-N 0 0 424.925 4.441 40 0 HIABRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000100829243 558798116 /nfs/dbraw/zinc/79/81/16/558798116.db2.gz PQRXXEZTUSVBNK-ACRUOGEOSA-N 0 0 404.853 4.391 40 0 HIABRN COc1ccc2nc(Cl)c(CNCc3cccc(F)c3)c(N3CCOCC3)c2c1 ZINC000036740441 558801623 /nfs/dbraw/zinc/80/16/23/558801623.db2.gz KBQWMSNUWTYFLZ-UHFFFAOYSA-N 0 0 415.896 4.162 40 0 HIABRN CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)[C@H]2C[C@H]2C)C1 ZINC000072388979 558808808 /nfs/dbraw/zinc/80/88/08/558808808.db2.gz UZLDEVKNRCWRNR-GQOCTPOGSA-N 0 0 410.583 4.357 40 0 HIABRN c1c2c(cc3c1/C=C1/CC4=C(C=C1/C=C1/C=C5OCOC5=C[C@@H]1C3)OCO4)OCO2 ZINC000016939900 558809457 /nfs/dbraw/zinc/80/94/57/558809457.db2.gz UWGUXJYHMKTNPK-FOKUUXRQSA-N 0 0 402.402 4.229 40 0 HIABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000038754084 558814195 /nfs/dbraw/zinc/81/41/95/558814195.db2.gz OQLNHFAYGYOAOU-DNVCBOLYSA-N 0 0 416.905 4.045 40 0 HIABRN Cc1ccccc1C(=O)NC(=S)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000017082701 558814926 /nfs/dbraw/zinc/81/49/26/558814926.db2.gz SLTIPOLXEMYVCG-UHFFFAOYSA-N 0 0 403.507 4.303 40 0 HIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)c(Cl)c2)cc1 ZINC000038772288 558815382 /nfs/dbraw/zinc/81/53/82/558815382.db2.gz LROKSOZHIHHCMV-HNNXBMFYSA-N 0 0 406.935 4.321 40 0 HIABRN O=C(C[C@H]1C(=O)N(C2CCCCCC2)c2nc3ccccc3n21)NCc1ccccc1 ZINC000039964085 558823164 /nfs/dbraw/zinc/82/31/64/558823164.db2.gz WCAXMXGGFZDTSF-QFIPXVFZSA-N 0 0 416.525 4.353 40 0 HIABRN CCN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000039985164 558823214 /nfs/dbraw/zinc/82/32/14/558823214.db2.gz CRTJUCRZUOQYKR-UHFFFAOYSA-N 0 0 421.733 4.296 40 0 HIABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc(Cl)c2C)cc1C ZINC000039986189 558823834 /nfs/dbraw/zinc/82/38/34/558823834.db2.gz GVPNWJWEUMCSQP-UHFFFAOYSA-N 0 0 424.950 4.005 40 0 HIABRN CCN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000039986757 558824196 /nfs/dbraw/zinc/82/41/96/558824196.db2.gz MAFPKMOEXMGDKL-UHFFFAOYSA-N 0 0 402.903 4.143 40 0 HIABRN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1Cl ZINC000040114395 558824597 /nfs/dbraw/zinc/82/45/97/558824597.db2.gz LXAJCMKFHXYUKY-UHFFFAOYSA-N 0 0 422.934 4.166 40 0 HIABRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3Cl)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000101039870 558825668 /nfs/dbraw/zinc/82/56/68/558825668.db2.gz KYWZUGDVQKENMB-FKBYEOEOSA-N 0 0 418.880 4.387 40 0 HIABRN Cc1c(Cl)cccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3cccnc3)[C@@H]2C1=O ZINC000101075525 558826531 /nfs/dbraw/zinc/82/65/31/558826531.db2.gz TXGUTMNUCUJRAZ-ACRUOGEOSA-N 0 0 419.868 4.095 40 0 HIABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(C)Cc3ccccc3)cc2)cc1 ZINC000017334072 558827103 /nfs/dbraw/zinc/82/71/03/558827103.db2.gz FXBJWBSJSHCPDG-UHFFFAOYSA-N 0 0 408.523 4.092 40 0 HIABRN CN(Cc1ccccc1Cl)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000017918528 558828807 /nfs/dbraw/zinc/82/88/07/558828807.db2.gz QCTFMHQSWDYLBC-UHFFFAOYSA-N 0 0 414.914 4.413 40 0 HIABRN CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cccc(SC)c2)cc1 ZINC000018077192 558830728 /nfs/dbraw/zinc/83/07/28/558830728.db2.gz OBJNRWIMOBHEQF-UHFFFAOYSA-N 0 0 406.573 4.010 40 0 HIABRN Cc1ccc(CN(C)C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000018083919 558830826 /nfs/dbraw/zinc/83/08/26/558830826.db2.gz IVKVIDCUZSDLLT-UHFFFAOYSA-N 0 0 422.550 4.401 40 0 HIABRN CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)CC(C)(C)C)C1 ZINC000019082590 558840156 /nfs/dbraw/zinc/84/01/56/558840156.db2.gz BSMUCEIGGHUHBI-AREMUKBSSA-N 0 0 421.585 4.424 40 0 HIABRN Cc1cc(C(=O)N(C)Cc2nc(N3CCCC3)ncc2-c2ccncc2)sc1C ZINC000019124653 558844323 /nfs/dbraw/zinc/84/43/23/558844323.db2.gz ZWBKISIBCNZXTL-UHFFFAOYSA-N 0 0 407.543 4.089 40 0 HIABRN Cc1cc2nc([C@H]3CCCN(C(=O)CCc4ccccc4)C3)cc(C(F)(F)F)n2n1 ZINC000019129044 558845202 /nfs/dbraw/zinc/84/52/02/558845202.db2.gz OLEWVAQWYYHDCY-KRWDZBQOSA-N 0 0 416.447 4.395 40 0 HIABRN Cc1cc2nc(C)c(CCC(=O)N3CCc4c5ccccc5[nH]c4[C@H]3C)c(C)n2n1 ZINC000019129022 558845207 /nfs/dbraw/zinc/84/52/07/558845207.db2.gz MUIKNZRFCZZHOS-QGZVFWFLSA-N 0 0 401.514 4.214 40 0 HIABRN Cc1noc(C)c1Cc1c(C)onc1C(=O)N[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000019136714 558846243 /nfs/dbraw/zinc/84/62/43/558846243.db2.gz PVEVIJRZCDHBPS-JOCHJYFZSA-N 0 0 416.481 4.401 40 0 HIABRN Cc1ccc(C(=O)N2CCNC(=O)[C@@H](Cc3ccccc3-c3ccc(C)cc3)C2)s1 ZINC000019212892 558849048 /nfs/dbraw/zinc/84/90/48/558849048.db2.gz NUIFQZFVSWJVHG-NRFANRHFSA-N 0 0 418.562 4.463 40 0 HIABRN O=C1[C@@H]2[C@H](c3ccccc3)N(c3ccccc3)O[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013646449 558850528 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CCc1ccc(OCC(=O)Nc2cccc(C(=O)OC)c2C)c(Br)c1 ZINC000218862117 568484446 /nfs/dbraw/zinc/48/44/46/568484446.db2.gz WKJUMBJGPKJAQC-UHFFFAOYSA-N 0 0 406.276 4.124 40 0 HIABRN COC(=O)c1cccc(NC(=O)COc2ccc3ccccc3c2Br)c1 ZINC000218903882 568485092 /nfs/dbraw/zinc/48/50/92/568485092.db2.gz JBRKOZHBFPUCNS-UHFFFAOYSA-N 0 0 414.255 4.406 40 0 HIABRN COc1cccc(-c2noc(CN(C)C(=O)COc3ccc(C(C)(C)C)cc3)n2)c1 ZINC000218935475 568485297 /nfs/dbraw/zinc/48/52/97/568485297.db2.gz NPERMYIYQLDXMR-UHFFFAOYSA-N 0 0 409.486 4.080 40 0 HIABRN Cc1cccc(N([C@@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)S(C)(=O)=O)c1 ZINC000260588034 568485530 /nfs/dbraw/zinc/48/55/30/568485530.db2.gz FFTCAXDHJMZPJO-GHTZIAJQSA-N 0 0 402.560 4.053 40 0 HIABRN COc1cccc(-c2noc(CNC(=O)c3ccccc3CCc3ccccc3)n2)c1 ZINC000219007303 568485869 /nfs/dbraw/zinc/48/58/69/568485869.db2.gz GPGRYFMXFIANHG-UHFFFAOYSA-N 0 0 413.477 4.460 40 0 HIABRN CC[C@@H](C(=O)N[C@H](C)c1ccc(C)c(C)c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000219094707 568486710 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0 HIABRN CC[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1)c1ccc(C)c(C)c1 ZINC000219225431 568487943 /nfs/dbraw/zinc/48/79/43/568487943.db2.gz LTWZPMKFZGTEAC-HXUWFJFHSA-N 0 0 400.544 4.168 40 0 HIABRN CCOc1ccc(CCC(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1OCC ZINC000219280730 568488904 /nfs/dbraw/zinc/48/89/04/568488904.db2.gz SQSLFPZPCLDBSY-UHFFFAOYSA-N 0 0 409.486 4.125 40 0 HIABRN CC[C@@H](NC(=O)[C@@H](CC)Oc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000219322203 568489740 /nfs/dbraw/zinc/48/97/40/568489740.db2.gz UVGYCRKEALVCQE-QZTJIDSGSA-N 0 0 409.935 4.168 40 0 HIABRN CC[C@H](Oc1ccccc1Cl)C(=O)N(C)Cc1nc(-c2cccc(OC)c2)no1 ZINC000219322768 568489796 /nfs/dbraw/zinc/48/97/96/568489796.db2.gz UMWACLUCEAAURT-KRWDZBQOSA-N 0 0 415.877 4.215 40 0 HIABRN CC[C@@H](NC(=O)[C@H](CC)Oc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000219325333 568489920 /nfs/dbraw/zinc/48/99/20/568489920.db2.gz ANDPGZGXBQXXLH-MOPGFXCFSA-N 0 0 409.935 4.168 40 0 HIABRN CC[C@@H](NC(=O)[C@H](CC)Oc1cc(C)ccc1C)c1ccc(S(C)(=O)=O)cc1 ZINC000219380038 568490697 /nfs/dbraw/zinc/49/06/97/568490697.db2.gz AYCLMDFFMUHWFP-UXHICEINSA-N 0 0 403.544 4.132 40 0 HIABRN Cc1ccc(OC[C@H](C)NC(=O)CCCN2c3cccc4cccc(c34)C2=O)cc1 ZINC000219472439 568493391 /nfs/dbraw/zinc/49/33/91/568493391.db2.gz PBFKJTVPTYKSHT-SFHVURJKSA-N 0 0 402.494 4.472 40 0 HIABRN CCC[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2cccc(C)c2C)CC1 ZINC000057670772 568494892 /nfs/dbraw/zinc/49/48/92/568494892.db2.gz FVIBEXRWDQODSS-HSZRJFAPSA-N 0 0 422.552 4.141 40 0 HIABRN CCSc1ccccc1C(=O)N(C)Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000219652254 568496741 /nfs/dbraw/zinc/49/67/41/568496741.db2.gz LRYGUFSKTKWAPQ-UHFFFAOYSA-N 0 0 413.499 4.138 40 0 HIABRN C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 ZINC000219694609 568497225 /nfs/dbraw/zinc/49/72/25/568497225.db2.gz QDKIGJMBYOAAPH-OAHLLOKOSA-N 0 0 422.978 4.135 40 0 HIABRN CC[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000219757785 568498190 /nfs/dbraw/zinc/49/81/90/568498190.db2.gz UHWBVVKXAZKLQY-WOJBJXKFSA-N 0 0 420.962 4.069 40 0 HIABRN Cc1ccc(N2CCC(C(=O)N(C)Cc3nc(-c4cccc(C)c4)no3)CC2)cc1 ZINC000219866469 568499494 /nfs/dbraw/zinc/49/94/94/568499494.db2.gz LQPDJFIQWRHIPZ-UHFFFAOYSA-N 0 0 404.514 4.228 40 0 HIABRN CC[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1)c1ccc(C)c(C)c1 ZINC000219967555 568500651 /nfs/dbraw/zinc/50/06/51/568500651.db2.gz QALLVQQWHBIZBA-QFIPXVFZSA-N 0 0 414.571 4.110 40 0 HIABRN CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(C)c(C)c1 ZINC000219986729 568500953 /nfs/dbraw/zinc/50/09/53/568500953.db2.gz COWFACAYRJQKAS-QFIPXVFZSA-N 0 0 414.571 4.359 40 0 HIABRN Cc1cccc(NC(=O)[C@@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1C ZINC000220191871 568503257 /nfs/dbraw/zinc/50/32/57/568503257.db2.gz DMEYKVICFJOMMF-CQSZACIVSA-N 0 0 414.449 4.115 40 0 HIABRN CCc1ccc(NC(=O)[C@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000220192125 568503292 /nfs/dbraw/zinc/50/32/92/568503292.db2.gz XQVBRCCDWKZBSB-ZDUSSCGKSA-N 0 0 414.449 4.061 40 0 HIABRN C[C@H](C(=O)NCCC1=CCCCC1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000220250598 568503914 /nfs/dbraw/zinc/50/39/14/568503914.db2.gz IGMOOBPHNLCFDS-CYBMUJFWSA-N 0 0 419.374 4.155 40 0 HIABRN C[C@H](C(=O)Nc1ccccc1Cl)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000220245089 568503947 /nfs/dbraw/zinc/50/39/47/568503947.db2.gz YPPZKBPNJTXGEM-SNVBAGLBSA-N 0 0 421.733 4.440 40 0 HIABRN CCc1ccc(N([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 ZINC000220265878 568504041 /nfs/dbraw/zinc/50/40/41/568504041.db2.gz HZAKIJVISXVKDQ-GFCCVEGCSA-N 0 0 415.342 4.349 40 0 HIABRN C[C@@H](NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000220312662 568504502 /nfs/dbraw/zinc/50/45/02/568504502.db2.gz IMKFANWFEAIADW-HZPDHXFCSA-N 0 0 420.550 4.155 40 0 HIABRN Cc1ccc(N([C@H](C)C(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl ZINC000220352803 568505045 /nfs/dbraw/zinc/50/50/45/568505045.db2.gz CQGAKAYUMWFURB-GFCCVEGCSA-N 0 0 401.315 4.095 40 0 HIABRN CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc1Cl ZINC000409098064 568505381 /nfs/dbraw/zinc/50/53/81/568505381.db2.gz JZFVNGMYHDDOPK-NTUHNPAUSA-N 0 0 418.298 4.380 40 0 HIABRN Cc1ccc(NC(=O)[C@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1C ZINC000220426244 568505474 /nfs/dbraw/zinc/50/54/74/568505474.db2.gz YRHGMSRFYOZOTF-ZDUSSCGKSA-N 0 0 415.342 4.403 40 0 HIABRN CC[C@H](NC(=O)[C@H](CC)N(c1cccc(C)c1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000220522680 568506416 /nfs/dbraw/zinc/50/64/16/568506416.db2.gz COKBITWJEZKORB-SFTDATJTSA-N 0 0 402.560 4.116 40 0 HIABRN CC[C@H](C(=O)Nc1cccc(OC(C)C)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220572739 568506969 /nfs/dbraw/zinc/50/69/69/568506969.db2.gz BSKJCRQXECNFRZ-OAQYLSRUSA-N 0 0 418.559 4.274 40 0 HIABRN CCc1cccc(CC)c1NC(=O)[C@@H](CC)N(c1ccccc1F)S(C)(=O)=O ZINC000220594824 568507270 /nfs/dbraw/zinc/50/72/70/568507270.db2.gz WETFPPXCGSQZPQ-GOSISDBHSA-N 0 0 406.523 4.134 40 0 HIABRN CC[C@@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1ccccc1F)S(C)(=O)=O ZINC000220596187 568507276 /nfs/dbraw/zinc/50/72/76/568507276.db2.gz RNCYCIYQWYZQPL-SFHVURJKSA-N 0 0 406.523 4.441 40 0 HIABRN CC[C@@H](NC(=O)[C@H](CC)N(c1ccccc1F)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000220607019 568507413 /nfs/dbraw/zinc/50/74/13/568507413.db2.gz HSOVQBVVLKNROP-UXHICEINSA-N 0 0 420.550 4.255 40 0 HIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C)ccc1C ZINC000222399535 568515203 /nfs/dbraw/zinc/51/52/03/568515203.db2.gz FZNDNGWMINUOKZ-JOCHJYFZSA-N 0 0 410.558 4.323 40 0 HIABRN CCc1ccc(OCC(=O)N(Cc2ccccc2C)[C@H](CC)C(=O)NC(C)C)cc1 ZINC000222399673 568515272 /nfs/dbraw/zinc/51/52/72/568515272.db2.gz HEIAQBMVDPBSFB-HSZRJFAPSA-N 0 0 410.558 4.268 40 0 HIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1cccc(Cl)c1 ZINC000222409364 568515310 /nfs/dbraw/zinc/51/53/10/568515310.db2.gz PQMFDPJKTSBMQE-OAQYLSRUSA-N 0 0 416.949 4.359 40 0 HIABRN CC[C@H](NC(=O)c1ccc(N(CC)S(=O)(=O)CC)cc1)c1ccc(C)cc1C ZINC000222403529 568515392 /nfs/dbraw/zinc/51/53/92/568515392.db2.gz OEAIRGHJDJWMIF-NRFANRHFSA-N 0 0 402.560 4.361 40 0 HIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1C ZINC000222410383 568515419 /nfs/dbraw/zinc/51/54/19/568515419.db2.gz HWOIPBMHUYAGTJ-JOCHJYFZSA-N 0 0 410.558 4.323 40 0 HIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)ccc1C ZINC000222446076 568515905 /nfs/dbraw/zinc/51/59/05/568515905.db2.gz VULCLRSWUQORKA-QFIPXVFZSA-N 0 0 410.558 4.323 40 0 HIABRN CC[C@@H](C(=O)Nc1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000222499322 568516848 /nfs/dbraw/zinc/51/68/48/568516848.db2.gz RGPMDLBDYYHDLU-INIZCTEOSA-N 0 0 419.305 4.316 40 0 HIABRN CN(c1cccc(C(=O)Nc2ccc(F)c(F)c2)c1)S(=O)(=O)c1ccccc1 ZINC000222533745 568517455 /nfs/dbraw/zinc/51/74/55/568517455.db2.gz FBHSWIMRGBGTTM-UHFFFAOYSA-N 0 0 402.422 4.042 40 0 HIABRN Cc1ccc(CNC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000222543397 568517774 /nfs/dbraw/zinc/51/77/74/568517774.db2.gz AIGDAEFVWLCTIJ-UHFFFAOYSA-N 0 0 408.523 4.059 40 0 HIABRN CCc1cccc(CC)c1NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000222555403 568518217 /nfs/dbraw/zinc/51/82/17/568518217.db2.gz LWRSJAPJGRSWQK-UHFFFAOYSA-N 0 0 402.560 4.305 40 0 HIABRN Cc1ccccc1N(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000222556641 568518218 /nfs/dbraw/zinc/51/82/18/568518218.db2.gz IUSDNLCCPIHEHA-UHFFFAOYSA-N 0 0 415.342 4.487 40 0 HIABRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(F)cc1 ZINC000222557414 568518296 /nfs/dbraw/zinc/51/82/96/568518296.db2.gz KMTBRTDSOLTIAK-VGOFRKELSA-N 0 0 414.521 4.099 40 0 HIABRN CC[C@@H](NC(=O)c1cccc(N2CCCCS2(=O)=O)c1)c1ccc(C)cc1C ZINC000222562796 568518506 /nfs/dbraw/zinc/51/85/06/568518506.db2.gz YRKBHKLQKLSNPR-OAQYLSRUSA-N 0 0 400.544 4.115 40 0 HIABRN CC[C@H](NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O)c1ccc(C)cc1C ZINC000222563469 568518515 /nfs/dbraw/zinc/51/85/15/568518515.db2.gz LNVIPIMOWADRBH-NRFANRHFSA-N 0 0 416.587 4.426 40 0 HIABRN COc1ccc(Cl)cc1NC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000222567503 568518631 /nfs/dbraw/zinc/51/86/31/568518631.db2.gz UMYFXVIHAZZPQC-UHFFFAOYSA-N 0 0 424.950 4.150 40 0 HIABRN CN(Cc1nc(-c2ccccc2)no1)C(=O)CSCc1ccc(Cl)cc1F ZINC000222598964 568519961 /nfs/dbraw/zinc/51/99/61/568519961.db2.gz BHYZVDZEQZFURR-UHFFFAOYSA-N 0 0 405.882 4.421 40 0 HIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc(C)c1 ZINC000222601444 568520155 /nfs/dbraw/zinc/52/01/55/568520155.db2.gz PCIBATOIBKTBIG-OAQYLSRUSA-N 0 0 416.949 4.359 40 0 HIABRN CC[C@H](C(=O)N[C@@H](C)CC)N(CCc1ccccc1)C(=O)COc1ccc(C)cc1C ZINC000222622454 568521198 /nfs/dbraw/zinc/52/11/98/568521198.db2.gz JEOSZZPCWLOFLW-JTHBVZDNSA-N 0 0 424.585 4.447 40 0 HIABRN C[C@@H](COc1ccccc1)NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000222631141 568521567 /nfs/dbraw/zinc/52/15/67/568521567.db2.gz YPZXRHBZXKGKEJ-SZHLLGMXSA-N 0 0 406.507 4.103 40 0 HIABRN C[C@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000222658330 568522593 /nfs/dbraw/zinc/52/25/93/568522593.db2.gz DQIHTOJZOTVACT-ZDUSSCGKSA-N 0 0 422.344 4.331 40 0 HIABRN O=C(CCc1cccc2ccccc21)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000222669619 568522998 /nfs/dbraw/zinc/52/29/98/568522998.db2.gz ZVUHPUDOGQCHCX-HXUWFJFHSA-N 0 0 402.494 4.320 40 0 HIABRN Cc1ccc([C@@H](C)NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1C ZINC000222682675 568523605 /nfs/dbraw/zinc/52/36/05/568523605.db2.gz LVDTZTMXZAGCIL-MRXNPFEDSA-N 0 0 424.513 4.005 40 0 HIABRN Cc1ccccc1CN(C(=O)COc1cccc(Cl)c1)[C@H](C)C(=O)NC(C)(C)C ZINC000222709322 568524272 /nfs/dbraw/zinc/52/42/72/568524272.db2.gz QKTNKSZAKLBPPI-QGZVFWFLSA-N 0 0 416.949 4.359 40 0 HIABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(C)c(C)c1 ZINC000222714744 568524442 /nfs/dbraw/zinc/52/44/42/568524442.db2.gz QUDMEUPEEKKKKE-HNNXBMFYSA-N 0 0 423.340 4.152 40 0 HIABRN Cc1cccc(CN(C(=O)COc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222712643 568524525 /nfs/dbraw/zinc/52/45/25/568524525.db2.gz RBTZMKMEXSUEPQ-QGZVFWFLSA-N 0 0 416.949 4.359 40 0 HIABRN Cc1ccc(CN(C(=O)COc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222748528 568525437 /nfs/dbraw/zinc/52/54/37/568525437.db2.gz AQEUCLANUNHDCL-KRWDZBQOSA-N 0 0 416.949 4.359 40 0 HIABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(C)cc2)cc1OC ZINC000222748897 568525459 /nfs/dbraw/zinc/52/54/59/568525459.db2.gz JJFOZDIPQWKQJX-RGEXLXHISA-N 0 0 406.438 4.015 40 0 HIABRN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCc2ccc(F)cc2)cc1 ZINC000222766699 568525846 /nfs/dbraw/zinc/52/58/46/568525846.db2.gz FGQKONBLNIAOQZ-JWGURIENSA-N 0 0 406.457 4.247 40 0 HIABRN C[C@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000222765268 568525939 /nfs/dbraw/zinc/52/59/39/568525939.db2.gz UKDXJYPAJSQOKS-OAQYLSRUSA-N 0 0 400.522 4.353 40 0 HIABRN CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)ccc1C ZINC000222768994 568525981 /nfs/dbraw/zinc/52/59/81/568525981.db2.gz XAHGBSYUUSGTTC-OAHLLOKOSA-N 0 0 407.341 4.316 40 0 HIABRN C[C@H](C(=O)NCc1ccccn1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222770827 568526009 /nfs/dbraw/zinc/52/60/09/568526009.db2.gz ZUQCPFAPAXKMIJ-GOSISDBHSA-N 0 0 421.928 4.011 40 0 HIABRN CC(C)(C)c1ccc(N(CC(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)cc1 ZINC000222776287 568526183 /nfs/dbraw/zinc/52/61/83/568526183.db2.gz DDIMQWBNWVUXLB-UHFFFAOYSA-N 0 0 424.566 4.220 40 0 HIABRN CC[C@H](C(=O)NCc1ccc2ccccc2c1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000222807984 568526962 /nfs/dbraw/zinc/52/69/62/568526962.db2.gz YPGACUMKAOZMLG-JOCHJYFZSA-N 0 0 424.566 4.318 40 0 HIABRN CCc1ccc([C@H](C)NC(=O)CN(c2cccc3ccccc32)S(C)(=O)=O)cc1 ZINC000222808329 568527036 /nfs/dbraw/zinc/52/70/36/568527036.db2.gz NILAJBIUTJMLBF-KRWDZBQOSA-N 0 0 410.539 4.046 40 0 HIABRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000222812073 568527061 /nfs/dbraw/zinc/52/70/61/568527061.db2.gz LPZZYBNKIYWQKX-WOJBJXKFSA-N 0 0 407.495 4.121 40 0 HIABRN Cc1ccc(OCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222820824 568527417 /nfs/dbraw/zinc/52/74/17/568527417.db2.gz APFGFJFFMALCFB-QGZVFWFLSA-N 0 0 416.949 4.359 40 0 HIABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 ZINC000222823825 568527479 /nfs/dbraw/zinc/52/74/79/568527479.db2.gz NNZLOGNBAKIFAO-INIZCTEOSA-N 0 0 402.922 4.051 40 0 HIABRN COc1ccccc1CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)C(C)C ZINC000222837091 568527873 /nfs/dbraw/zinc/52/78/73/568527873.db2.gz NJFAHINYFJOVLI-INIZCTEOSA-N 0 0 402.922 4.038 40 0 HIABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)ccc1C ZINC000222840221 568528086 /nfs/dbraw/zinc/52/80/86/568528086.db2.gz CQQKQEUOEFOGPH-HSZRJFAPSA-N 0 0 410.558 4.187 40 0 HIABRN CC[C@H](C(=O)NCc1cccc2ccccc21)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000222866687 568528979 /nfs/dbraw/zinc/52/89/79/568528979.db2.gz JNCLEWWRMCDXJQ-HSZRJFAPSA-N 0 0 424.566 4.318 40 0 HIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000222884136 568529492 /nfs/dbraw/zinc/52/94/92/568529492.db2.gz FNTGBBJFWCXVDR-QHCPKHFHSA-N 0 0 410.558 4.187 40 0 HIABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222887412 568529596 /nfs/dbraw/zinc/52/95/96/568529596.db2.gz AKAMLKSMQRIQBX-OAHLLOKOSA-N 0 0 404.913 4.354 40 0 HIABRN COc1ccccc1O[C@@H](C)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000222889242 568529738 /nfs/dbraw/zinc/52/97/38/568529738.db2.gz REDWHQJHZRRKGB-ZDUSSCGKSA-N 0 0 401.513 4.245 40 0 HIABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl ZINC000222890927 568529842 /nfs/dbraw/zinc/52/98/42/568529842.db2.gz AZIUZBJOTVAFAJ-OAHLLOKOSA-N 0 0 420.912 4.190 40 0 HIABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1C(=O)OC ZINC000222900844 568530174 /nfs/dbraw/zinc/53/01/74/568530174.db2.gz SHXDHNOTXVOFSR-SFTDATJTSA-N 0 0 420.538 4.041 40 0 HIABRN C[C@@H](C(=O)NCCc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000222916594 568530667 /nfs/dbraw/zinc/53/06/67/568530667.db2.gz GHCJKTDPEPMLQZ-FQEVSTJZSA-N 0 0 418.512 4.144 40 0 HIABRN Cc1cc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)ccc1N1CCCC1=O ZINC000222962355 568532476 /nfs/dbraw/zinc/53/24/76/568532476.db2.gz HWSTZLDQCCJOAW-QGZVFWFLSA-N 0 0 412.555 4.040 40 0 HIABRN COc1ccc(C(=O)N2CCc3ccc(NC(=O)c4ccc(F)cc4F)cc32)cc1 ZINC000222965628 568532560 /nfs/dbraw/zinc/53/25/60/568532560.db2.gz MSFWTESWZQVGOM-UHFFFAOYSA-N 0 0 408.404 4.429 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCSCc1ccccc1 ZINC000222973212 568532814 /nfs/dbraw/zinc/53/28/14/568532814.db2.gz PJVMCUJXQNBWHY-QGZVFWFLSA-N 0 0 402.535 4.002 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(F)cc1 ZINC000222985881 568533250 /nfs/dbraw/zinc/53/32/50/568533250.db2.gz VICVTTXGKUKKKJ-SFHVURJKSA-N 0 0 416.562 4.393 40 0 HIABRN C[C@@H](NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000222992240 568533482 /nfs/dbraw/zinc/53/34/82/568533482.db2.gz HAIVMEBBCGNWII-CQSZACIVSA-N 0 0 420.962 4.106 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(Cl)cc1 ZINC000222995679 568533620 /nfs/dbraw/zinc/53/36/20/568533620.db2.gz BNCMUQUHOFEYPS-GOSISDBHSA-N 0 0 416.949 4.361 40 0 HIABRN CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1NC(C)=O ZINC000223005801 568534100 /nfs/dbraw/zinc/53/41/00/568534100.db2.gz YTLRCXQNBJRDNV-AWEZNQCLSA-N 0 0 418.584 4.285 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1C ZINC000223042160 568535264 /nfs/dbraw/zinc/53/52/64/568535264.db2.gz ACVMRKATHBGMDZ-NRFANRHFSA-N 0 0 410.558 4.324 40 0 HIABRN COc1cc(C)c(S(=O)(=O)N[C@@H](C)COc2ccc(C)c(C)c2)cc1C(C)C ZINC000223043641 568535375 /nfs/dbraw/zinc/53/53/75/568535375.db2.gz JDUBXHQRXAQTMT-SFHVURJKSA-N 0 0 405.560 4.490 40 0 HIABRN CCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000223050160 568535590 /nfs/dbraw/zinc/53/55/90/568535590.db2.gz IVJSCGYRLCMCIF-XMMPIXPASA-N 0 0 400.522 4.353 40 0 HIABRN COc1ccccc1-c1c2c(ccn([C@@H]3CCC[C@@H](C)[C@@H]3C)c2=O)nc2ncnn21 ZINC000223063946 568536272 /nfs/dbraw/zinc/53/62/72/568536272.db2.gz PPCNJIMSDMSTSR-RVKKMQEKSA-N 0 0 403.486 4.112 40 0 HIABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F ZINC000223064286 568536289 /nfs/dbraw/zinc/53/62/89/568536289.db2.gz JTZHZEPIZYSQLH-SFTDATJTSA-N 0 0 410.518 4.020 40 0 HIABRN C[C@H](NC(=O)c1cc2cc(N(C)S(C)(=O)=O)ccc2s1)c1ccc(Cl)cc1 ZINC000223074158 568536541 /nfs/dbraw/zinc/53/65/41/568536541.db2.gz UEYPRHIYEOJMQQ-LBPRGKRZSA-N 0 0 422.959 4.442 40 0 HIABRN C[C@H]1Cc2cc(S(=O)(=O)N3CCCCC3)ccc2N1C(=O)c1cccc(Cl)c1 ZINC000223089059 568537133 /nfs/dbraw/zinc/53/71/33/568537133.db2.gz MAQAQSBOYHBAAB-HNNXBMFYSA-N 0 0 418.946 4.106 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C[C@@H]2CCCO2)N1C1CCCCC1 ZINC000223090697 568537214 /nfs/dbraw/zinc/53/72/14/568537214.db2.gz ZAZIZSQLSOXRNB-VLCRHTCISA-N 0 0 410.587 4.367 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1cccc(Cl)c1 ZINC000223090576 568537238 /nfs/dbraw/zinc/53/72/38/568537238.db2.gz BRHNLHQNDKRXNN-SFHVURJKSA-N 0 0 416.949 4.361 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Cl)cc1 ZINC000223093604 568537292 /nfs/dbraw/zinc/53/72/92/568537292.db2.gz KQDQYNUGWHHEAY-SFHVURJKSA-N 0 0 416.949 4.361 40 0 HIABRN COc1cccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@@H]3C)c1 ZINC000223105295 568537622 /nfs/dbraw/zinc/53/76/22/568537622.db2.gz LPJLWYSJLMHSLK-NSHDSACASA-N 0 0 413.271 4.142 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1C ZINC000223107714 568537800 /nfs/dbraw/zinc/53/78/00/568537800.db2.gz NCSYAELARSCAPL-HXUWFJFHSA-N 0 0 418.990 4.435 40 0 HIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1cc(C)cc(C)c1 ZINC000223117927 568538149 /nfs/dbraw/zinc/53/81/49/568538149.db2.gz PBTIRWYWDKHHDG-OALUTQOASA-N 0 0 414.521 4.153 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccccc1 ZINC000223127458 568538544 /nfs/dbraw/zinc/53/85/44/568538544.db2.gz SPVUHYSNULQSGD-NRFANRHFSA-N 0 0 410.558 4.488 40 0 HIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1F ZINC000223130740 568538792 /nfs/dbraw/zinc/53/87/92/568538792.db2.gz PTUBEWCYRWHCBV-DEOSSOPVSA-N 0 0 418.512 4.144 40 0 HIABRN COc1ccc2cc(S(=O)(=O)N(C)Cc3nc(-c4cccc(C)c4)no3)ccc2c1 ZINC000223137947 568539111 /nfs/dbraw/zinc/53/91/11/568539111.db2.gz ISSVAXGRMLAEKJ-UHFFFAOYSA-N 0 0 423.494 4.028 40 0 HIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(C)cc1C ZINC000223138820 568539112 /nfs/dbraw/zinc/53/91/12/568539112.db2.gz XQQKOSAAVJVGBC-RBUKOAKNSA-N 0 0 414.521 4.153 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223184153 568540357 /nfs/dbraw/zinc/54/03/57/568540357.db2.gz JMFWJXAKGMVLEW-OAQYLSRUSA-N 0 0 416.949 4.396 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)cc1 ZINC000223189329 568540536 /nfs/dbraw/zinc/54/05/36/568540536.db2.gz IMSYRIKJDOJLSB-GOSISDBHSA-N 0 0 416.949 4.361 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1F ZINC000223191640 568540631 /nfs/dbraw/zinc/54/06/31/568540631.db2.gz JQXZIIQYXRRLLR-IBGZPJMESA-N 0 0 422.953 4.266 40 0 HIABRN CC(C)C(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccco1 ZINC000223203067 568540938 /nfs/dbraw/zinc/54/09/38/568540938.db2.gz IQJJUXPSENADML-HSZRJFAPSA-N 0 0 422.500 4.331 40 0 HIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(OC)cc1 ZINC000223215290 568541295 /nfs/dbraw/zinc/54/12/95/568541295.db2.gz WCRCZWBESJRMGX-JOCHJYFZSA-N 0 0 410.558 4.268 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCSCc1ccccc1 ZINC000223229043 568541763 /nfs/dbraw/zinc/54/17/63/568541763.db2.gz PHODPPZBLSKUTJ-FQEVSTJZSA-N 0 0 402.535 4.002 40 0 HIABRN CSc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1 ZINC000223265294 568543249 /nfs/dbraw/zinc/54/32/49/568543249.db2.gz MPIUGMUJEXNPPV-UHFFFAOYSA-N 0 0 424.547 4.412 40 0 HIABRN CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](Cc1ccccc1)C(=O)NCCC(C)C ZINC000223265689 568543305 /nfs/dbraw/zinc/54/33/05/568543305.db2.gz RAMOKUQLGRTPMR-QHCPKHFHSA-N 0 0 410.558 4.207 40 0 HIABRN COc1ccc(CN(C(=O)C(C)C)[C@@H](Cc2ccccc2)C(=O)NCCC(C)C)cc1 ZINC000223274615 568543638 /nfs/dbraw/zinc/54/36/38/568543638.db2.gz QSBDJEUYPHPTOU-DEOSSOPVSA-N 0 0 424.585 4.453 40 0 HIABRN COc1ccc(CN(C(=O)C(C)C)[C@H](Cc2ccccc2)C(=O)NCCC(C)C)cc1 ZINC000223274662 568543664 /nfs/dbraw/zinc/54/36/64/568543664.db2.gz QSBDJEUYPHPTOU-XMMPIXPASA-N 0 0 424.585 4.453 40 0 HIABRN COc1cc(C)c([C@@H](C)NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1C(C)C ZINC000223297070 568544353 /nfs/dbraw/zinc/54/43/53/568544353.db2.gz HQCLGGCIKGSSFX-MRXNPFEDSA-N 0 0 418.559 4.014 40 0 HIABRN Fc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1C[C@@H]1CCCO1 ZINC000223317922 568544936 /nfs/dbraw/zinc/54/49/36/568544936.db2.gz UBSUEKRDEWLBAO-SSKFGXFMSA-N 0 0 422.529 4.163 40 0 HIABRN Fc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1 ZINC000223318312 568545093 /nfs/dbraw/zinc/54/50/93/568545093.db2.gz KWJYCKMNRXCTCY-NYVOZVTQSA-N 0 0 422.529 4.163 40 0 HIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2cccnc2)N1Cc1ccco1 ZINC000223338328 568545694 /nfs/dbraw/zinc/54/56/94/568545694.db2.gz MYUSCWQFYXHFNW-VXKWHMMOSA-N 0 0 415.522 4.092 40 0 HIABRN Oc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 ZINC000223357739 568546278 /nfs/dbraw/zinc/54/62/78/568546278.db2.gz FYGGZPQTCOXMNR-VXKWHMMOSA-N 0 0 416.506 4.344 40 0 HIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccnc2)N1Cc1ccccc1 ZINC000223371227 568546725 /nfs/dbraw/zinc/54/67/25/568546725.db2.gz MPPMQSYDYORSKG-GOTSBHOMSA-N 0 0 411.534 4.440 40 0 HIABRN COC(=O)c1ccc(NCCc2ccccc2)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000223411071 568547921 /nfs/dbraw/zinc/54/79/21/568547921.db2.gz NJHMTULKMNDBHI-UHFFFAOYSA-N 0 0 424.522 4.237 40 0 HIABRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C)c2C)cc1 ZINC000223417318 568548251 /nfs/dbraw/zinc/54/82/51/568548251.db2.gz FFUQXPJCFOFNHK-VXKWHMMOSA-N 0 0 406.555 4.218 40 0 HIABRN CC[C@@H](C)Nc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(OC)cc1 ZINC000223426204 568548608 /nfs/dbraw/zinc/54/86/08/568548608.db2.gz WMPVRWKDESZSAO-OAHLLOKOSA-N 0 0 420.531 4.272 40 0 HIABRN CCC(C)(C)NC(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 ZINC000223427487 568548729 /nfs/dbraw/zinc/54/87/29/568548729.db2.gz RDCRAZKRKKGPGP-UHFFFAOYSA-N 0 0 402.560 4.188 40 0 HIABRN CCc1ccccc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(OC)c(OC)c1 ZINC000223437755 568548947 /nfs/dbraw/zinc/54/89/47/568548947.db2.gz UKGDCHIASHWFNC-HKWRFOASSA-N 0 0 420.465 4.269 40 0 HIABRN CC[C@H](C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000223455063 568549277 /nfs/dbraw/zinc/54/92/77/568549277.db2.gz LLTVPCPRYPDSDN-SIKLNZKXSA-N 0 0 416.587 4.342 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2ccco2)N1Cc1cccnc1 ZINC000223455539 568549404 /nfs/dbraw/zinc/54/94/04/568549404.db2.gz PEXLYBWWUHDSTD-YADHBBJMSA-N 0 0 415.522 4.092 40 0 HIABRN Cc1cc(C)c([C@H](C)NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1C ZINC000223456746 568549416 /nfs/dbraw/zinc/54/94/16/568549416.db2.gz YZBXIEMXJLPVCG-IBGZPJMESA-N 0 0 416.587 4.379 40 0 HIABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223462098 568549631 /nfs/dbraw/zinc/54/96/31/568549631.db2.gz CJMAENKJWGVKQF-FQEVSTJZSA-N 0 0 418.990 4.169 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223498565 568550463 /nfs/dbraw/zinc/55/04/63/568550463.db2.gz LNMYBJCKUXXOBC-KRWDZBQOSA-N 0 0 416.949 4.225 40 0 HIABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1C1CC1 ZINC000223527266 568551039 /nfs/dbraw/zinc/55/10/39/568551039.db2.gz HHNPNXVONKRRBP-VXKWHMMOSA-N 0 0 403.555 4.403 40 0 HIABRN COc1ccc(CN(C(C)=O)[C@@H](C(=O)NCCc2ccccc2)c2ccccc2)cc1 ZINC000223541938 568551244 /nfs/dbraw/zinc/55/12/44/568551244.db2.gz ONQNTCQWPSTTPJ-RUZDIDTESA-N 0 0 416.521 4.144 40 0 HIABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1Cl ZINC000223559968 568551768 /nfs/dbraw/zinc/55/17/68/568551768.db2.gz AIVBVNOYQPEGJV-SFHVURJKSA-N 0 0 400.950 4.259 40 0 HIABRN CCOc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)C)cc3)no2)cc1 ZINC000223576401 568552191 /nfs/dbraw/zinc/55/21/91/568552191.db2.gz ZEKKJWKXFGOBLI-UHFFFAOYSA-N 0 0 415.515 4.079 40 0 HIABRN CSc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)C)cc3)no2)cc1 ZINC000223589793 568552510 /nfs/dbraw/zinc/55/25/10/568552510.db2.gz YNIKLQYQPKSUJM-UHFFFAOYSA-N 0 0 417.556 4.403 40 0 HIABRN Cc1ccccc1N(CC(=O)Nc1ccc2c(c1)oc1ccccc12)S(C)(=O)=O ZINC000223615812 568553357 /nfs/dbraw/zinc/55/33/57/568553357.db2.gz CXSXZQBWCHNPOT-UHFFFAOYSA-N 0 0 408.479 4.299 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1cccc2ccccc21 ZINC000223625598 568553780 /nfs/dbraw/zinc/55/37/80/568553780.db2.gz AVIYBJLSWDFROH-LJQANCHMSA-N 0 0 404.510 4.080 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223636963 568554340 /nfs/dbraw/zinc/55/43/40/568554340.db2.gz RWWKDHOZIAGMFE-OAHLLOKOSA-N 0 0 407.341 4.398 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223637162 568554355 /nfs/dbraw/zinc/55/43/55/568554355.db2.gz YQBFETSXLLFGQW-HNNXBMFYSA-N 0 0 407.341 4.398 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(Cl)cc1 ZINC000223639065 568554437 /nfs/dbraw/zinc/55/44/37/568554437.db2.gz UNFKKFAFBOHCFD-MRXNPFEDSA-N 0 0 404.963 4.294 40 0 HIABRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000223645039 568554641 /nfs/dbraw/zinc/55/46/41/568554641.db2.gz HMNTYPHCMVIFNB-UHFFFAOYSA-N 0 0 412.298 4.005 40 0 HIABRN CN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000223646248 568554755 /nfs/dbraw/zinc/55/47/55/568554755.db2.gz PZOOINMWMQAMMG-UHFFFAOYSA-N 0 0 412.298 4.005 40 0 HIABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1ccccc1C ZINC000223674656 568555861 /nfs/dbraw/zinc/55/58/61/568555861.db2.gz JPPQYPWYUXEPMN-OAQYLSRUSA-N 0 0 410.558 4.138 40 0 HIABRN CCOc1ccc(-c2noc(CNC(=O)COc3cc(C)ccc3C(C)C)n2)cc1 ZINC000223704656 568556722 /nfs/dbraw/zinc/55/67/22/568556722.db2.gz YTOFHLYJPXLOFX-UHFFFAOYSA-N 0 0 409.486 4.262 40 0 HIABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1cccc(C)c1C ZINC000223717182 568557205 /nfs/dbraw/zinc/55/72/05/568557205.db2.gz ZAYZMRVXFBPGTR-JOCHJYFZSA-N 0 0 424.585 4.447 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(CC)cc1 ZINC000223718917 568557316 /nfs/dbraw/zinc/55/73/16/568557316.db2.gz ZFKRRDOIBDMQKK-QGZVFWFLSA-N 0 0 400.950 4.388 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 ZINC000223728769 568557554 /nfs/dbraw/zinc/55/75/54/568557554.db2.gz FESPNIHVYASCMH-MRXNPFEDSA-N 0 0 404.963 4.376 40 0 HIABRN C[C@H](CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000223745574 568557907 /nfs/dbraw/zinc/55/79/07/568557907.db2.gz DNFXVIAZDHKKCG-GOSISDBHSA-N 0 0 408.523 4.045 40 0 HIABRN Cc1cccc(CN(C(=O)COc2ccc(C)cc2C)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223807142 568559523 /nfs/dbraw/zinc/55/95/23/568559523.db2.gz PIMMDUBOEADJHD-OAQYLSRUSA-N 0 0 422.569 4.467 40 0 HIABRN Cc1ccc(CN(C(=O)COc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223813837 568559750 /nfs/dbraw/zinc/55/97/50/568559750.db2.gz WKFWJOHRXBESHR-HXUWFJFHSA-N 0 0 408.542 4.158 40 0 HIABRN Cc1ccc(CN(C(=O)COc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223813822 568559773 /nfs/dbraw/zinc/55/97/73/568559773.db2.gz WKFWJOHRXBESHR-FQEVSTJZSA-N 0 0 408.542 4.158 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223821956 568559847 /nfs/dbraw/zinc/55/98/47/568559847.db2.gz SQGOJUQFRVDXAY-KRWDZBQOSA-N 0 0 414.521 4.055 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223832675 568560189 /nfs/dbraw/zinc/56/01/89/568560189.db2.gz IKUMIDVIMFZLJQ-CYBMUJFWSA-N 0 0 411.304 4.228 40 0 HIABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1cc(C)ccc1C ZINC000223831322 568560205 /nfs/dbraw/zinc/56/02/05/568560205.db2.gz FLKCUEZQIAEAQT-SFHVURJKSA-N 0 0 416.949 4.279 40 0 HIABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1F ZINC000223829728 568560207 /nfs/dbraw/zinc/56/02/07/568560207.db2.gz CQESTPGGPNZPCB-INIZCTEOSA-N 0 0 416.924 4.498 40 0 HIABRN COc1ccc2cc(S(=O)(=O)Nc3ccc(C)c(N4CCCC4=O)c3)ccc2c1 ZINC000223835042 568560322 /nfs/dbraw/zinc/56/03/22/568560322.db2.gz IWWUJHZLMICCPN-UHFFFAOYSA-N 0 0 410.495 4.084 40 0 HIABRN Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccnc2)cc1 ZINC000223844941 568560722 /nfs/dbraw/zinc/56/07/22/568560722.db2.gz IXTPVWGKFQNNAM-YADHBBJMSA-N 0 0 413.506 4.150 40 0 HIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCOc1ccc(C)cc1 ZINC000223872956 568561540 /nfs/dbraw/zinc/56/15/40/568561540.db2.gz ZLAHBDCYSADJDX-LJQANCHMSA-N 0 0 414.521 4.237 40 0 HIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1cccc2ccccc21 ZINC000223875844 568561649 /nfs/dbraw/zinc/56/16/49/568561649.db2.gz UAYMOCWAPRKXJU-SFHVURJKSA-N 0 0 422.500 4.301 40 0 HIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCSCc1ccccc1 ZINC000223876996 568561662 /nfs/dbraw/zinc/56/16/62/568561662.db2.gz HJHUEJLWJIOFJJ-GOSISDBHSA-N 0 0 416.562 4.393 40 0 HIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc(F)cc1 ZINC000223879344 568561713 /nfs/dbraw/zinc/56/17/13/568561713.db2.gz AHNLNPKXFHUJMI-MRXNPFEDSA-N 0 0 420.525 4.142 40 0 HIABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000223888599 568561990 /nfs/dbraw/zinc/56/19/90/568561990.db2.gz JSLZRJFYLRIAEI-LIRRHRJNSA-N 0 0 409.935 4.087 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 ZINC000223912557 568562795 /nfs/dbraw/zinc/56/27/95/568562795.db2.gz VCEBYWURAXQQDC-OAHLLOKOSA-N 0 0 407.341 4.398 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1F ZINC000223920750 568563000 /nfs/dbraw/zinc/56/30/00/568563000.db2.gz HTLWBIUFKFVEQW-ZDUSSCGKSA-N 0 0 411.304 4.228 40 0 HIABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000223941956 568563875 /nfs/dbraw/zinc/56/38/75/568563875.db2.gz OSOKHXDUROEFRH-MRXNPFEDSA-N 0 0 412.486 4.426 40 0 HIABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1 ZINC000223948397 568563959 /nfs/dbraw/zinc/56/39/59/568563959.db2.gz VOYVCIVBGZORGE-HSZRJFAPSA-N 0 0 410.558 4.352 40 0 HIABRN COc1ccc(Cl)cc1S(=O)(=O)NCCSCc1c(F)cccc1Cl ZINC000223945037 568563983 /nfs/dbraw/zinc/56/39/83/568563983.db2.gz LUGCWZHATJUHEX-UHFFFAOYSA-N 0 0 424.346 4.353 40 0 HIABRN CCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000223956468 568564356 /nfs/dbraw/zinc/56/43/56/568564356.db2.gz RLLOLACHRWHFQL-UHFFFAOYSA-N 0 0 424.522 4.125 40 0 HIABRN Cc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000223956187 568564408 /nfs/dbraw/zinc/56/44/08/568564408.db2.gz ZESODAFIUBEVMC-UHFFFAOYSA-N 0 0 422.550 4.467 40 0 HIABRN C[C@H](NC(=S)Nc1ccc(N2CCN(c3ccccc3)CC2)nc1)c1ccccc1 ZINC000223958138 568564542 /nfs/dbraw/zinc/56/45/42/568564542.db2.gz FIZHSGCLDZVDFH-IBGZPJMESA-N 0 0 417.582 4.456 40 0 HIABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C)c2C)cc1 ZINC000223969980 568564871 /nfs/dbraw/zinc/56/48/71/568564871.db2.gz WEINQGDGDSTZBK-VXKWHMMOSA-N 0 0 419.554 4.172 40 0 HIABRN Fc1ccc(C2(CNC(=S)Nc3cnc(Br)cn3)CCCC2)cc1 ZINC000223983052 568565329 /nfs/dbraw/zinc/56/53/29/568565329.db2.gz XQICKNOUZNCQTG-UHFFFAOYSA-N 0 0 409.328 4.177 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223992729 568565513 /nfs/dbraw/zinc/56/55/13/568565513.db2.gz LFZJJAIODAVSKQ-IBGZPJMESA-N 0 0 424.585 4.479 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000224007753 568566118 /nfs/dbraw/zinc/56/61/18/568566118.db2.gz CLKROIRTPNFUBP-AWEZNQCLSA-N 0 0 423.340 4.098 40 0 HIABRN Cc1ccc(C)c(OCCNC(=O)COc2ccc(Br)cc2Cl)c1 ZINC000224016228 568566524 /nfs/dbraw/zinc/56/65/24/568566524.db2.gz WWGIEPDJVQLLHE-UHFFFAOYSA-N 0 0 412.711 4.293 40 0 HIABRN Cc1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000224024880 568566830 /nfs/dbraw/zinc/56/68/30/568566830.db2.gz ADSBIOLOWCISNX-LJQANCHMSA-N 0 0 414.571 4.093 40 0 HIABRN COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000224037266 568567121 /nfs/dbraw/zinc/56/71/21/568567121.db2.gz ZCODGIYKNOIROG-UHFFFAOYSA-N 0 0 410.495 4.365 40 0 HIABRN CCCC[C@@H](CC)CNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCCC2)c1 ZINC000224036209 568567206 /nfs/dbraw/zinc/56/72/06/568567206.db2.gz ULADSMONZIUKGX-GOSISDBHSA-N 0 0 424.607 4.206 40 0 HIABRN CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1cc(C)cc(C)c1 ZINC000224060932 568568176 /nfs/dbraw/zinc/56/81/76/568568176.db2.gz DCCOREPGYXTFMK-DEOSSOPVSA-N 0 0 424.585 4.448 40 0 HIABRN CC[C@@H](C)NC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000224064239 568568262 /nfs/dbraw/zinc/56/82/62/568568262.db2.gz DTFAUTSQDWGMRP-LLVKDONJSA-N 0 0 401.315 4.323 40 0 HIABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)cc1 ZINC000224073167 568568522 /nfs/dbraw/zinc/56/85/22/568568522.db2.gz WPXCJPCGBYGTLO-OAHLLOKOSA-N 0 0 404.913 4.354 40 0 HIABRN CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(C)cc1C ZINC000224073600 568568622 /nfs/dbraw/zinc/56/86/22/568568622.db2.gz VEWIDOIAXZGUII-QHCPKHFHSA-N 0 0 424.585 4.448 40 0 HIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccc(F)cc3)cc2)cc1 ZINC000224082764 568569063 /nfs/dbraw/zinc/56/90/63/568569063.db2.gz DIPVJGKOZGBOOP-UHFFFAOYSA-N 0 0 412.486 4.207 40 0 HIABRN Cc1ccc(OCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1C ZINC000224098714 568569871 /nfs/dbraw/zinc/56/98/71/568569871.db2.gz AGFPNKVRBWPRKB-OAQYLSRUSA-N 0 0 422.569 4.201 40 0 HIABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCc2ccccc2)cc1 ZINC000224104030 568570093 /nfs/dbraw/zinc/57/00/93/568570093.db2.gz OEAWMZFDZHNKRJ-XLNRJJMWSA-N 0 0 420.534 4.277 40 0 HIABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1F ZINC000224107861 568570248 /nfs/dbraw/zinc/57/02/48/568570248.db2.gz SIYYQADSRCUYHM-GOSISDBHSA-N 0 0 416.562 4.248 40 0 HIABRN COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1COc1cccc(C)c1 ZINC000224115309 568570507 /nfs/dbraw/zinc/57/05/07/568570507.db2.gz ZWRQEKLFLFDJCL-UHFFFAOYSA-N 0 0 405.450 4.241 40 0 HIABRN COc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2C)c1 ZINC000224115671 568570589 /nfs/dbraw/zinc/57/05/89/568570589.db2.gz PVTJOFHVTDYHQM-UHFFFAOYSA-N 0 0 410.495 4.081 40 0 HIABRN Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)NCCSC(C)(C)C)c1 ZINC000224118967 568570680 /nfs/dbraw/zinc/57/06/80/568570680.db2.gz IAQCBRUJATUIHM-UHFFFAOYSA-N 0 0 420.600 4.082 40 0 HIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000224121777 568570746 /nfs/dbraw/zinc/57/07/46/568570746.db2.gz WOEAPTQJOGVHMC-NRFANRHFSA-N 0 0 416.949 4.443 40 0 HIABRN COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1COc1ccc(C)cc1 ZINC000224127959 568570885 /nfs/dbraw/zinc/57/08/85/568570885.db2.gz CKCSAGHUJHBVDN-UHFFFAOYSA-N 0 0 405.450 4.241 40 0 HIABRN Cc1cc(C)cc(OCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224130515 568570941 /nfs/dbraw/zinc/57/09/41/568570941.db2.gz PTPIMZRLNGGFGR-NRFANRHFSA-N 0 0 410.558 4.180 40 0 HIABRN 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HIABRN CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCCN3Cc3cnn(C)c3)cc2N1 ZINC000019451234 558889282 /nfs/dbraw/zinc/88/92/82/558889282.db2.gz VVLDFDDGGUFRDX-CGTJXYLNSA-N 0 0 410.488 4.287 40 0 HIABRN CCC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2cc(C)ccc2C)CC1 ZINC000057671517 558889722 /nfs/dbraw/zinc/88/97/22/558889722.db2.gz TYUCUJFOYFNFAK-HXUWFJFHSA-N 0 0 410.591 4.063 40 0 HIABRN COc1ccc([C@H](C)NC(=O)c2cc(-c3ccncc3)c3cnccc3n2)cc1F ZINC000019458646 558892564 /nfs/dbraw/zinc/89/25/64/558892564.db2.gz CYUMNCSBNOJGGC-AWEZNQCLSA-N 0 0 402.429 4.331 40 0 HIABRN C[C@@H]1C[C@@H]1C(=O)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3nc(C(C)(C)C)cc3N2)CC1 ZINC000019462778 558894148 /nfs/dbraw/zinc/89/41/48/558894148.db2.gz WXMHQPIAUIXQCE-VWNJHIHFSA-N 0 0 412.500 4.363 40 0 HIABRN COc1ccccc1CN(Cc1cccnc1)C(=O)Cc1ccc2c(c1)C[C@H](C)O2 ZINC000019498063 558896610 /nfs/dbraw/zinc/89/66/10/558896610.db2.gz AKORCEHCYGOOTA-SFHVURJKSA-N 0 0 402.494 4.185 40 0 HIABRN COc1cc2c(cc1CCC(=O)N1CCc3c4ccccc4[nH]c3[C@H]1C)OCCO2 ZINC000019498282 558896892 /nfs/dbraw/zinc/89/68/92/558896892.db2.gz PTSFFLQGFCLBPI-OAHLLOKOSA-N 0 0 406.482 4.026 40 0 HIABRN CCC(CC)C(=O)N1CCC[C@](Cc2cccc(-c3cccnc3)c2)(C(=O)N(C)C)C1 ZINC000019500125 558898075 /nfs/dbraw/zinc/89/80/75/558898075.db2.gz DRHXNPAZJVFEAO-AREMUKBSSA-N 0 0 421.585 4.424 40 0 HIABRN CCC(CC)C(=O)N1CC[C@](Cc2ccc(-c3ccccc3OC)cc2)(C(N)=O)C1 ZINC000019500052 558898118 /nfs/dbraw/zinc/89/81/18/558898118.db2.gz APNQSOFNFCCDPF-RUZDIDTESA-N 0 0 408.542 4.045 40 0 HIABRN CCC(CC)C(=O)N[C@@H]1CCCc2nc(C3CCN(C(=O)C(C)(C)C)CC3)ncc21 ZINC000019500254 558898301 /nfs/dbraw/zinc/89/83/01/558898301.db2.gz LFQXKXLLISUREH-HXUWFJFHSA-N 0 0 414.594 4.159 40 0 HIABRN CCCC(=O)N1CCC[C@@](Cc2ccccc2-c2cccnc2)(C(=O)NC(C)C)C1 ZINC000019501240 558898965 /nfs/dbraw/zinc/89/89/65/558898965.db2.gz OSVWMXLMZOXQOL-VWLOTQADSA-N 0 0 407.558 4.225 40 0 HIABRN CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3scnc3C)cc2n1 ZINC000019522289 558903559 /nfs/dbraw/zinc/90/35/59/558903559.db2.gz PNRZPMAQHKXAFX-ZDUSSCGKSA-N 0 0 409.437 4.053 40 0 HIABRN CCc1cc(C(=O)N2CCC(c3cc(C(F)(F)F)c4c(C)noc4n3)CC2)on1 ZINC000019522712 558903997 /nfs/dbraw/zinc/90/39/97/558903997.db2.gz UXOSEIOIPORXDC-UHFFFAOYSA-N 0 0 408.380 4.120 40 0 HIABRN CCOc1ccc(CC(=O)N2CCCC[C@@H]2c2[nH]ncc2-c2onc(C)c2C)cc1 ZINC000019532945 558912892 /nfs/dbraw/zinc/91/28/92/558912892.db2.gz RAKYOGSHXABXPO-HXUWFJFHSA-N 0 0 408.502 4.377 40 0 HIABRN CCOc1ccc(CN2CCCC[C@@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)cc1OC ZINC000019533853 558913204 /nfs/dbraw/zinc/91/32/04/558913204.db2.gz WSEPJZISWFUDEK-HXUWFJFHSA-N 0 0 420.513 4.379 40 0 HIABRN COc1ccc(OC)c(CN(Cc2ccncc2)[C@@H]2COC[C@H]2c2ccc(F)cc2)c1 ZINC000019551402 558915532 /nfs/dbraw/zinc/91/55/32/558915532.db2.gz IJVFXCZJVZIKJD-BJKOFHAPSA-N 0 0 422.500 4.423 40 0 HIABRN Cc1c(-c2cc(C(=O)N3CCc4sccc4[C@@H]3c3ccccc3)no2)cnn1C ZINC000019554062 558917063 /nfs/dbraw/zinc/91/70/63/558917063.db2.gz XJHKPHQZZFWTCQ-NRFANRHFSA-N 0 0 404.495 4.233 40 0 HIABRN COCCn1cnc2cc(C(=O)Nc3nc(-c4ccc(OC)cc4)c(C)s3)ccc21 ZINC000019555605 558918557 /nfs/dbraw/zinc/91/85/57/558918557.db2.gz NXSWVKKJCOITMI-UHFFFAOYSA-N 0 0 422.510 4.376 40 0 HIABRN COc1ccc(-c2csc(NC(=O)[C@H](C)Cn3nc(C)c(C)c3C)n2)cc1OC ZINC000019557011 558919254 /nfs/dbraw/zinc/91/92/54/558919254.db2.gz WROWPNZZCHCXNT-GFCCVEGCSA-N 0 0 414.531 4.224 40 0 HIABRN COc1ccc(-c2cc(-c3cccnc3)n(CCNC(=O)C3CCCCC3)n2)cc1 ZINC000019557980 558919788 /nfs/dbraw/zinc/91/97/88/558919788.db2.gz BETWMTGNMBPAQM-UHFFFAOYSA-N 0 0 404.514 4.317 40 0 HIABRN COc1cccc([C@@H](NC(=O)[C@H]2COc3ccc(OC)cc3C2)c2ccccc2)c1 ZINC000019564908 558925087 /nfs/dbraw/zinc/92/50/87/558925087.db2.gz KQHVGHCDRVCXSI-YKSBVNFPSA-N 0 0 403.478 4.161 40 0 HIABRN Cc1ncsc1C(=O)N1CCC(c2noc3nc(C)cc(C(F)(F)F)c32)CC1 ZINC000019569072 558928083 /nfs/dbraw/zinc/92/80/83/558928083.db2.gz BDRDHCHXCWWMTL-UHFFFAOYSA-N 0 0 410.421 4.335 40 0 HIABRN Cc1cc(C(F)(F)F)c2c(n1)onc2C1CCN(C(=O)CC[C@@H]2CCCO2)CC1 ZINC000019568995 558928108 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Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)cc1 ZINC000222539525 568517739 /nfs/dbraw/zinc/51/77/39/568517739.db2.gz HLUSRCICLXLVBN-SFHVURJKSA-N 0 0 408.523 4.311 40 0 HIABRN Cn1c(Cl)nc2cc(C(=O)NCCC(=O)Nc3cccc4ccccc43)ccc21 ZINC000222552300 568518037 /nfs/dbraw/zinc/51/80/37/568518037.db2.gz YSMBVGZZBHQULV-UHFFFAOYSA-N 0 0 406.873 4.139 40 0 HIABRN CCn1c(Cl)nc2cc(C(=O)N(CCOC)Cc3cccn3C(C)C)ccc21 ZINC000222560026 568518419 /nfs/dbraw/zinc/51/84/19/568518419.db2.gz HTBRROWMHTWGLP-UHFFFAOYSA-N 0 0 402.926 4.381 40 0 HIABRN CCc1ccc([C@@H](C)NC(=O)[C@@H](CC)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000222569094 568518681 /nfs/dbraw/zinc/51/86/81/568518681.db2.gz IRMPNDKTMVYYDP-FOIQADDNSA-N 0 0 422.978 4.324 40 0 HIABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000222571511 568518729 /nfs/dbraw/zinc/51/87/29/568518729.db2.gz DSXKMDGCFVWWME-MRXNPFEDSA-N 0 0 416.949 4.180 40 0 HIABRN COc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(Br)cc1O ZINC000222574954 568518948 /nfs/dbraw/zinc/51/89/48/568518948.db2.gz PCEOCNLEMWNYOI-POJUEXTFSA-N 0 0 420.332 4.148 40 0 HIABRN CC[C@H](NC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1)c1ccc(C)cc1 ZINC000222575207 568518976 /nfs/dbraw/zinc/51/89/76/568518976.db2.gz ACRHYVOBELRTQP-FQEVSTJZSA-N 0 0 400.544 4.115 40 0 HIABRN CC(C)c1ccc(CCCNC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 ZINC000222593618 568519697 /nfs/dbraw/zinc/51/96/97/568519697.db2.gz GFWMDGYBHSGILS-UHFFFAOYSA-N 0 0 414.571 4.103 40 0 HIABRN CCOc1ccccc1N(CCCC(=O)Nc1c(C)cc(C)cc1C)S(C)(=O)=O ZINC000222611965 568520594 /nfs/dbraw/zinc/52/05/94/568520594.db2.gz PNJQAEOSXOFZQN-UHFFFAOYSA-N 0 0 418.559 4.195 40 0 HIABRN CCOc1ccccc1N(CCCC(=O)Nc1ccccc1C(C)C)S(C)(=O)=O ZINC000222612145 568520609 /nfs/dbraw/zinc/52/06/09/568520609.db2.gz HCUFSTXAHIZDCB-UHFFFAOYSA-N 0 0 418.559 4.394 40 0 HIABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000222615165 568520713 /nfs/dbraw/zinc/52/07/13/568520713.db2.gz SAEMVDKQFMQIOE-FQEVSTJZSA-N 0 0 413.514 4.065 40 0 HIABRN O=C(CCc1ccc2c(c1)OCCO2)NCCSCc1c(F)cccc1Cl ZINC000222639450 568521867 /nfs/dbraw/zinc/52/18/67/568521867.db2.gz ZYJIVGZMGJAEHS-UHFFFAOYSA-N 0 0 409.910 4.233 40 0 HIABRN CCc1ccc(N(CCCC(=O)Nc2cccc(SC)c2)S(C)(=O)=O)cc1 ZINC000222643078 568521969 /nfs/dbraw/zinc/52/19/69/568521969.db2.gz NSDJITOYJDLUCH-UHFFFAOYSA-N 0 0 406.573 4.156 40 0 HIABRN Cc1c(Cl)cccc1N(CCCC(=O)Nc1ccccc1Cl)S(C)(=O)=O ZINC000222663236 568522634 /nfs/dbraw/zinc/52/26/34/568522634.db2.gz MSTDTNVRKJWPGG-UHFFFAOYSA-N 0 0 415.342 4.487 40 0 HIABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1Cl ZINC000222661400 568522660 /nfs/dbraw/zinc/52/26/60/568522660.db2.gz TWFALZAEUQZBCW-INIZCTEOSA-N 0 0 402.922 4.051 40 0 HIABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSCc1ccc(F)cc1 ZINC000222665762 568522754 /nfs/dbraw/zinc/52/27/54/568522754.db2.gz UUQHFRLWKLEOKR-QGZVFWFLSA-N 0 0 416.562 4.391 40 0 HIABRN Cc1cccc(CN(C(=O)COc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222712577 568524458 /nfs/dbraw/zinc/52/44/58/568524458.db2.gz RBTZMKMEXSUEPQ-KRWDZBQOSA-N 0 0 416.949 4.359 40 0 HIABRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CSCc1ccccc1F ZINC000222713707 568524466 /nfs/dbraw/zinc/52/44/66/568524466.db2.gz XCAUTWLQQPQWMB-UHFFFAOYSA-N 0 0 405.882 4.421 40 0 HIABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(C)c(C)c1 ZINC000222714670 568524470 /nfs/dbraw/zinc/52/44/70/568524470.db2.gz QUDMEUPEEKKKKE-OAHLLOKOSA-N 0 0 423.340 4.152 40 0 HIABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C)cc1 ZINC000222713271 568524496 /nfs/dbraw/zinc/52/44/96/568524496.db2.gz VMWBBFBZDAJYTC-OAHLLOKOSA-N 0 0 407.341 4.398 40 0 HIABRN CCc1ccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC)cc1 ZINC000222718879 568524586 /nfs/dbraw/zinc/52/45/86/568524586.db2.gz AIJWJXMKBGELJT-CQSZACIVSA-N 0 0 423.340 4.098 40 0 HIABRN Cc1cccc(CN(C(=O)COc2cc(C)ccc2C)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222737707 568525092 /nfs/dbraw/zinc/52/50/92/568525092.db2.gz TZFCDSCBQLNWSM-HXUWFJFHSA-N 0 0 410.558 4.323 40 0 HIABRN CCc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222737849 568525168 /nfs/dbraw/zinc/52/51/68/568525168.db2.gz LXIBQVQYDGRXEJ-LJQANCHMSA-N 0 0 410.558 4.268 40 0 HIABRN CCc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222737789 568525187 /nfs/dbraw/zinc/52/51/87/568525187.db2.gz LXIBQVQYDGRXEJ-IBGZPJMESA-N 0 0 410.558 4.268 40 0 HIABRN Cc1cccc(CN(C(=O)COc2cccc(C)c2C)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222746024 568525443 /nfs/dbraw/zinc/52/54/43/568525443.db2.gz WOAQUHKTTLZFQN-FQEVSTJZSA-N 0 0 410.558 4.323 40 0 HIABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)ccc1C ZINC000222769061 568526028 /nfs/dbraw/zinc/52/60/28/568526028.db2.gz XAHGBSYUUSGTTC-HNNXBMFYSA-N 0 0 407.341 4.316 40 0 HIABRN CC[C@@H](C(=O)NCc1ccc2ccccc2c1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000222789437 568526640 /nfs/dbraw/zinc/52/66/40/568526640.db2.gz FOHKUGPZKXUEPZ-QFIPXVFZSA-N 0 0 410.539 4.009 40 0 HIABRN CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000222808014 568526917 /nfs/dbraw/zinc/52/69/17/568526917.db2.gz ZVZSGFAPAYXKDQ-SFHVURJKSA-N 0 0 410.558 4.089 40 0 HIABRN CC[C@H](C(=O)NCc1ccc2ccccc2c1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000222807818 568526991 /nfs/dbraw/zinc/52/69/91/568526991.db2.gz LGTOKUGIEJGQEI-JOCHJYFZSA-N 0 0 410.539 4.009 40 0 HIABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1F ZINC000222823731 568527532 /nfs/dbraw/zinc/52/75/32/568527532.db2.gz LJMHIZGNCWKVHT-OAHLLOKOSA-N 0 0 404.913 4.354 40 0 HIABRN CC(C)c1ccc(N(CC(=O)NCc2cccc3ccccc32)S(C)(=O)=O)cc1 ZINC000222837808 568527979 /nfs/dbraw/zinc/52/79/79/568527979.db2.gz MLUDBTHADTWTAR-UHFFFAOYSA-N 0 0 410.539 4.046 40 0 HIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000222849495 568528383 /nfs/dbraw/zinc/52/83/83/568528383.db2.gz KYJYCZNZMRVRRX-QHCPKHFHSA-N 0 0 410.558 4.187 40 0 HIABRN CC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000222857452 568528690 /nfs/dbraw/zinc/52/86/90/568528690.db2.gz KWVQBURNUQMUSG-LIRRHRJNSA-N 0 0 409.935 4.087 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccccc1 ZINC000222887958 568529594 /nfs/dbraw/zinc/52/95/94/568529594.db2.gz LGOYEUQOPBRODR-MRXNPFEDSA-N 0 0 404.963 4.127 40 0 HIABRN Cc1cc(C)cc(N(CCCC(=O)NCc2cccc3ccccc32)S(C)(=O)=O)c1 ZINC000222886738 568529613 /nfs/dbraw/zinc/52/96/13/568529613.db2.gz WAYSTYXAFKVNMC-UHFFFAOYSA-N 0 0 424.566 4.319 40 0 HIABRN COc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)N2CCC(C)CC2)C1=O ZINC000409363994 568530253 /nfs/dbraw/zinc/53/02/53/568530253.db2.gz VXOBKOJZRBEQRO-DEDYPNTBSA-N 0 0 424.522 4.143 40 0 HIABRN C[C@@H](C(=O)NCc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000222919748 568530872 /nfs/dbraw/zinc/53/08/72/568530872.db2.gz DGCDWTHLDZDKSC-FQEVSTJZSA-N 0 0 418.512 4.492 40 0 HIABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000222933638 568531522 /nfs/dbraw/zinc/53/15/22/568531522.db2.gz OJUMFYANPLHSII-IBGZPJMESA-N 0 0 415.530 4.484 40 0 HIABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)COc1cc(C)ccc1C ZINC000222934834 568531554 /nfs/dbraw/zinc/53/15/54/568531554.db2.gz LDNUXMDDDJBPQE-QFIPXVFZSA-N 0 0 410.558 4.057 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc(Cl)cc1 ZINC000222938546 568531766 /nfs/dbraw/zinc/53/17/66/568531766.db2.gz MXTARFONNIOYAT-HNNXBMFYSA-N 0 0 422.953 4.266 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000222982930 568533141 /nfs/dbraw/zinc/53/31/41/568533141.db2.gz MGVNXUBBDRBWNJ-SFHVURJKSA-N 0 0 416.949 4.361 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222983902 568533232 /nfs/dbraw/zinc/53/32/32/568533232.db2.gz ZSOZYTLXWZQSCH-ZDUSSCGKSA-N 0 0 411.304 4.228 40 0 HIABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000222989807 568533332 /nfs/dbraw/zinc/53/33/32/568533332.db2.gz WXEKAFFGDFSEQS-PGRDOPGGSA-N 0 0 410.514 4.008 40 0 HIABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000222990000 568533362 /nfs/dbraw/zinc/53/33/62/568533362.db2.gz WXEKAFFGDFSEQS-GCJKJVERSA-N 0 0 410.514 4.008 40 0 HIABRN C[C@H](NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000222992300 568533506 /nfs/dbraw/zinc/53/35/06/568533506.db2.gz HAIVMEBBCGNWII-AWEZNQCLSA-N 0 0 420.962 4.106 40 0 HIABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 ZINC000223000110 568533853 /nfs/dbraw/zinc/53/38/53/568533853.db2.gz HAHJLXBOHGVMOO-WOJBJXKFSA-N 0 0 412.946 4.145 40 0 HIABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000223028813 568534782 /nfs/dbraw/zinc/53/47/82/568534782.db2.gz BJEMNNXFRKTQBL-KRWDZBQOSA-N 0 0 407.894 4.148 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223059995 568536057 /nfs/dbraw/zinc/53/60/57/568536057.db2.gz IPNJZHRHZFWRKP-GOSISDBHSA-N 0 0 423.340 4.234 40 0 HIABRN COc1ccc(CN(C(=O)CSc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223060904 568536194 /nfs/dbraw/zinc/53/61/94/568536194.db2.gz INADRWGMQAMUAJ-KRWDZBQOSA-N 0 0 414.571 4.119 40 0 HIABRN CSc1cccc(NC(=O)c2cc3cc(N(C)S(C)(=O)=O)ccc3s2)c1 ZINC000223072992 568536507 /nfs/dbraw/zinc/53/65/07/568536507.db2.gz WAQLBNYOSKWNKZ-UHFFFAOYSA-N 0 0 406.554 4.271 40 0 HIABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1nc(-c2ccc(OC)cc2)no1 ZINC000223072455 568536543 /nfs/dbraw/zinc/53/65/43/568536543.db2.gz VHQQPKGZUCSHQN-OAQYLSRUSA-N 0 0 421.497 4.098 40 0 HIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSc1ccccc1 ZINC000223086355 568537015 /nfs/dbraw/zinc/53/70/15/568537015.db2.gz XAZGACNWAVSBGC-DLBZAZTESA-N 0 0 402.535 4.250 40 0 HIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccccc1 ZINC000223087212 568537141 /nfs/dbraw/zinc/53/71/41/568537141.db2.gz PWGCSUKIISYTLZ-ROUUACIJSA-N 0 0 416.562 4.391 40 0 HIABRN COc1ccc(CN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223092915 568537290 /nfs/dbraw/zinc/53/72/90/568537290.db2.gz YNKMCXWNNUUZJB-MRXNPFEDSA-N 0 0 416.949 4.223 40 0 HIABRN C[C@H]1Cc2cc(Br)cc3c2n1cc(C(=O)Nc1ccc(F)cc1F)c3=O ZINC000223104964 568537677 /nfs/dbraw/zinc/53/76/77/568537677.db2.gz FWOXNYIQROICQF-VIFPVBQESA-N 0 0 419.225 4.412 40 0 HIABRN C[C@H]1Cc2cc(Br)cc3c2n1cc(C(=O)N1CCc2ccccc2C1)c3=O ZINC000223107371 568537784 /nfs/dbraw/zinc/53/77/84/568537784.db2.gz DQSOHUOFDUEIQB-ZDUSSCGKSA-N 0 0 423.310 4.080 40 0 HIABRN CCCN1c2ccc(C(=O)N[C@@H](C)c3ccc(Cl)cc3)cc2S(=O)(=O)N=C1C ZINC000223114603 568538029 /nfs/dbraw/zinc/53/80/29/568538029.db2.gz FTOMOJZDFHXIEV-ZDUSSCGKSA-N 0 0 419.934 4.168 40 0 HIABRN CC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000223130244 568538732 /nfs/dbraw/zinc/53/87/32/568538732.db2.gz DJEBNERTLUEMNL-LJQANCHMSA-N 0 0 421.946 4.435 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C ZINC000223143473 568539374 /nfs/dbraw/zinc/53/93/74/568539374.db2.gz BOCNLUJFMQQKKN-SFHVURJKSA-N 0 0 416.949 4.361 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1c(F)cccc1Cl ZINC000223150106 568539629 /nfs/dbraw/zinc/53/96/29/568539629.db2.gz MXUHGYSBRUXQSJ-GOSISDBHSA-N 0 0 411.304 4.228 40 0 HIABRN CCc1ccc(OCC(=O)N(Cc2ccccc2)[C@@H](CC)C(=O)NC(C)(C)C)cc1 ZINC000223167524 568539898 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CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1 ZINC000223239602 568542208 /nfs/dbraw/zinc/54/22/08/568542208.db2.gz UHYZKCIPIJJZHE-SFHVURJKSA-N 0 0 416.562 4.393 40 0 HIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cc(Br)cs2)N1C[C@@H]1CCCO1 ZINC000223295067 568544384 /nfs/dbraw/zinc/54/43/84/568544384.db2.gz AUSLSFLLBGLWLH-VBNZEHGJSA-N 0 0 424.389 4.057 40 0 HIABRN COc1cc(C)c([C@@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1C(C)C ZINC000223296925 568544393 /nfs/dbraw/zinc/54/43/93/568544393.db2.gz OTAHHEDUCGEUBD-MRXNPFEDSA-N 0 0 418.559 4.014 40 0 HIABRN COc1cc(C)c([C@@H](C)NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1C(C)C ZINC000223313020 568544922 /nfs/dbraw/zinc/54/49/22/568544922.db2.gz HWBBEVJZPRBOQV-MRXNPFEDSA-N 0 0 418.559 4.298 40 0 HIABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1 ZINC000223317271 568544980 /nfs/dbraw/zinc/54/49/80/568544980.db2.gz BETNCVRZNSGDMG-AJSBUHFISA-N 0 0 418.566 4.332 40 0 HIABRN Fc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C[C@@H]1CCCO1 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S=C1N[C@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1Cc1ccccn1 ZINC000223558259 568551687 /nfs/dbraw/zinc/55/16/87/568551687.db2.gz WDGNGVRNJIJPPN-PKTZIBPZSA-N 0 0 411.534 4.440 40 0 HIABRN O=S(=O)(Cc1cccc(Br)c1)NCCOc1cccc2ccccc21 ZINC000223571796 568551913 /nfs/dbraw/zinc/55/19/13/568551913.db2.gz DRESTDKNQXAMCO-UHFFFAOYSA-N 0 0 420.328 4.101 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223582047 568552272 /nfs/dbraw/zinc/55/22/72/568552272.db2.gz NYXOMKCRXVLETM-IBGZPJMESA-N 0 0 410.558 4.225 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1cccc2ccccc21 ZINC000223581719 568552287 /nfs/dbraw/zinc/55/22/87/568552287.db2.gz WYESHZLECGHFFR-LJQANCHMSA-N 0 0 404.510 4.080 40 0 HIABRN O=S(=O)(NCc1nc(-c2cccc(Cl)c2)no1)c1cc(Cl)ccc1Cl ZINC000223586909 568552539 /nfs/dbraw/zinc/55/25/39/568552539.db2.gz DDBXCWHCYLLTIC-UHFFFAOYSA-N 0 0 418.689 4.175 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 ZINC000223594273 568552754 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C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000223706668 568556815 /nfs/dbraw/zinc/55/68/15/568556815.db2.gz PXUZPWWOEMLKQT-VIFPVBQESA-N 0 0 423.268 4.065 40 0 HIABRN CCc1ccc(OCC(=O)N(CCc2ccccc2)[C@@H](CC)C(=O)NC(C)(C)C)cc1 ZINC000223707911 568556943 /nfs/dbraw/zinc/55/69/43/568556943.db2.gz AJYRWFVMPRHNHH-QHCPKHFHSA-N 0 0 424.585 4.392 40 0 HIABRN COc1ccccc1[C@H](C)NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 ZINC000223719105 568557270 /nfs/dbraw/zinc/55/72/70/568557270.db2.gz FLUNINBRTKHFGV-KRWDZBQOSA-N 0 0 424.522 4.295 40 0 HIABRN CCOc1ccccc1CN(C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000223718274 568557279 /nfs/dbraw/zinc/55/72/79/568557279.db2.gz RISWDCACLSSEOT-UHFFFAOYSA-N 0 0 404.315 4.221 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000223773558 568558626 /nfs/dbraw/zinc/55/86/26/568558626.db2.gz XYHDDRCATPNSNM-QGZVFWFLSA-N 0 0 402.535 4.170 40 0 HIABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(Cl)cc1 ZINC000223778793 568558758 /nfs/dbraw/zinc/55/87/58/568558758.db2.gz RAUIBFNXRGDXDD-OAHLLOKOSA-N 0 0 423.340 4.316 40 0 HIABRN O=C(Cc1cccc(Cl)c1)NCc1nc(-c2cccc(Br)c2)no1 ZINC000223781805 568558923 /nfs/dbraw/zinc/55/89/23/568558923.db2.gz MBRVESDJKOUCOA-UHFFFAOYSA-N 0 0 406.667 4.011 40 0 HIABRN Cc1cccc(CN(C(=O)COc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223791870 568559183 /nfs/dbraw/zinc/55/91/83/568559183.db2.gz JAUSEFSKPGXELD-HXUWFJFHSA-N 0 0 408.542 4.158 40 0 HIABRN COc1ccc(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223806107 568559535 /nfs/dbraw/zinc/55/95/35/568559535.db2.gz CTWAQFSCSYMYDU-LJQANCHMSA-N 0 0 408.542 4.022 40 0 HIABRN Cc1ccc(CN(C(=O)COc2ccc(C)cc2C)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223814033 568559735 /nfs/dbraw/zinc/55/97/35/568559735.db2.gz YKMDPRMEKCURLO-NRFANRHFSA-N 0 0 422.569 4.467 40 0 HIABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1Cl ZINC000223829636 568560102 /nfs/dbraw/zinc/56/01/02/568560102.db2.gz CDJWIAYSPRWGNV-HNNXBMFYSA-N 0 0 423.340 4.316 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1C ZINC000223833743 568560304 /nfs/dbraw/zinc/56/03/04/568560304.db2.gz MGBPWIKDKXTFAE-OAHLLOKOSA-N 0 0 423.340 4.234 40 0 HIABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccnc2)cc1 ZINC000223844884 568560679 /nfs/dbraw/zinc/56/06/79/568560679.db2.gz IXTPVWGKFQNNAM-VXKWHMMOSA-N 0 0 413.506 4.150 40 0 HIABRN COc1ccc(S(=O)(=O)NCCOc2ccccc2Cl)c(Cl)c1Cl ZINC000223852039 568560913 /nfs/dbraw/zinc/56/09/13/568560913.db2.gz NLRPHHBEWKYKKT-UHFFFAOYSA-N 0 0 410.706 4.013 40 0 HIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1cccc2ccccc21 ZINC000223875786 568561659 /nfs/dbraw/zinc/56/16/59/568561659.db2.gz UAYMOCWAPRKXJU-GOSISDBHSA-N 0 0 422.500 4.301 40 0 HIABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000223888544 568562057 /nfs/dbraw/zinc/56/20/57/568562057.db2.gz JSLZRJFYLRIAEI-IFXJQAMLSA-N 0 0 409.935 4.087 40 0 HIABRN Cc1cccc(OCCNC(=O)CSCc2ccc(Br)cc2)c1C ZINC000223902249 568562431 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558575853 /nfs/dbraw/zinc/57/58/53/558575853.db2.gz NJOUHURWMRZEKL-INIZCTEOSA-N 0 0 401.315 4.177 40 0 HIABRN CC[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N(c1ccccc1)S(C)(=O)=O ZINC000013711758 558576336 /nfs/dbraw/zinc/57/63/36/558576336.db2.gz BQOYQJLHVQRSJI-INIZCTEOSA-N 0 0 401.315 4.177 40 0 HIABRN CC[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712435 558576573 /nfs/dbraw/zinc/57/65/73/558576573.db2.gz HCZLDMOTTOOAFN-INIZCTEOSA-N 0 0 419.305 4.316 40 0 HIABRN CC[C@@H](C(=O)N[C@@H](C)CCc1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712789 558576922 /nfs/dbraw/zinc/57/69/22/558576922.db2.gz JSAIONYTZVCABS-JXFKEZNVSA-N 0 0 422.978 4.022 40 0 HIABRN CCCCc1ccc(NC(=O)[C@@H](CC)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000013715766 558579086 /nfs/dbraw/zinc/57/90/86/558579086.db2.gz VTFFKYOCHZHVQX-HXUWFJFHSA-N 0 0 406.523 4.352 40 0 HIABRN CCc1cccc(C)c1NC(=O)[C@H](CC)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716546 558579578 /nfs/dbraw/zinc/57/95/78/558579578.db2.gz BQKHCKIYBCKPTC-FQEVSTJZSA-N 0 0 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ZINC000019212478 558848910 /nfs/dbraw/zinc/84/89/10/558848910.db2.gz PUWQFITYJHPWOR-AREMUKBSSA-N 0 0 404.554 4.358 40 0 HIABRN Cc1ccc(C(=O)N2CCNC(=O)[C@H](Cc3ccc(-c4ccccc4F)cc3)C2)s1 ZINC000019216963 558850633 /nfs/dbraw/zinc/85/06/33/558850633.db2.gz FARBDLHWWWCUKE-LJQANCHMSA-N 0 0 422.525 4.294 40 0 HIABRN Cc1ccc2c(CC(=O)NCCn3cc(-c4ccncc4)c(C4CC4)n3)coc2c1 ZINC000019221659 558851922 /nfs/dbraw/zinc/85/19/22/558851922.db2.gz DEAWNCKMECWUHE-UHFFFAOYSA-N 0 0 400.482 4.236 40 0 HIABRN CNC(=O)[C@@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)C2CCCC2)C1 ZINC000019235460 558854565 /nfs/dbraw/zinc/85/45/65/558854565.db2.gz AXIGQTPADPWATO-AREMUKBSSA-N 0 0 404.554 4.359 40 0 HIABRN Cc1ccccc1-c1cccc(C[C@@H]2CN(C(=O)c3cccc(F)c3)CCNC2=O)c1 ZINC000019237468 558856628 /nfs/dbraw/zinc/85/66/28/558856628.db2.gz SYPUMAFLEUIVOE-JOCHJYFZSA-N 0 0 416.496 4.232 40 0 HIABRN Cc1cnccc1-c1c[nH]nc1[C@@H]1CCCN1C(=O)CCCOc1ccccc1F ZINC000019239614 558858206 /nfs/dbraw/zinc/85/82/06/558858206.db2.gz KCANXJPSCHITIG-FQEVSTJZSA-N 0 0 408.477 4.442 40 0 HIABRN COc1ccc2c(cc(C(=O)N3CC[C@H](c4nc(C)n5c(C)csc45)C3)n2C)c1 ZINC000019240522 558859236 /nfs/dbraw/zinc/85/92/36/558859236.db2.gz DEHAINWHAGJEEG-HNNXBMFYSA-N 0 0 408.527 4.143 40 0 HIABRN COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)Cn2c(C)nc3ccccc32)c(OC)c1 ZINC000019286714 558860600 /nfs/dbraw/zinc/86/06/00/558860600.db2.gz DKTZTNFLCYOKSA-IERDGZPVSA-N 0 0 407.514 4.362 40 0 HIABRN O=C([O-])C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000019333778 558869199 /nfs/dbraw/zinc/86/91/99/558869199.db2.gz SRAWBLBSAUICGU-HXUWFJFHSA-N 0 0 414.452 4.215 40 0 HIABRN NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000019348269 558874214 /nfs/dbraw/zinc/87/42/14/558874214.db2.gz IRMVDJVJCMXADF-HOYKHHGWSA-N 0 0 408.567 4.408 40 0 HIABRN Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000019358389 558875857 /nfs/dbraw/zinc/87/58/57/558875857.db2.gz MUJKUUSFIYTIOX-IBGZPJMESA-N 0 0 409.511 4.412 40 0 HIABRN NC(=O)[C@@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)C2CCCC2)C1 ZINC000019368355 558877284 /nfs/dbraw/zinc/87/72/84/558877284.db2.gz IJWSIEBVOHXPAL-RUZDIDTESA-N 0 0 408.517 4.320 40 0 HIABRN O=C(CCc1ccc(-c2ccccc2)o1)N1CCC2(CC1)NC(=O)c1ccccc1N2 ZINC000019374204 558881105 /nfs/dbraw/zinc/88/11/05/558881105.db2.gz NNZQUMUGPHWSPV-UHFFFAOYSA-N 0 0 415.493 4.053 40 0 HIABRN CCSc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000055703515 558884051 /nfs/dbraw/zinc/88/40/51/558884051.db2.gz ZLSBSJOABAAJIZ-UHFFFAOYSA-N 0 0 418.584 4.146 40 0 HIABRN O=C(CCCc1nc(-c2ccccn2)no1)N1CCc2sccc2[C@H]1c1ccco1 ZINC000019403119 558884260 /nfs/dbraw/zinc/88/42/60/558884260.db2.gz HGMLODCHFYRPTP-NRFANRHFSA-N 0 0 420.494 4.283 40 0 HIABRN CC(C)(C)CC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000069742401 558885038 /nfs/dbraw/zinc/88/50/38/558885038.db2.gz BCDOBDJWGRKBEY-UHFFFAOYSA-N 0 0 414.999 4.072 40 0 HIABRN CC(C)CC(=O)N1CC[C@](Cc2ccc(-c3ccccc3)cc2)(C(=O)NC2CC2)C1 ZINC000019446162 558886082 /nfs/dbraw/zinc/88/60/82/558886082.db2.gz BJLCPSNQTHUSEA-AREMUKBSSA-N 0 0 404.554 4.440 40 0 HIABRN CC(C)CC(=O)N1CC[C@@](Cc2ccc(-c3ccccc3)cc2)(C(=O)NC2CC2)C1 ZINC000019446160 558886131 /nfs/dbraw/zinc/88/61/31/558886131.db2.gz BJLCPSNQTHUSEA-SANMLTNESA-N 0 0 404.554 4.440 40 0 HIABRN COc1ccccc1-c1ccc(C[C@]2(C(=O)NC(C)C)CCN(C(=O)C3CC3)C2)cc1 ZINC000019449017 558887602 /nfs/dbraw/zinc/88/76/02/558887602.db2.gz PXFUJXPOKJSYQK-AREMUKBSSA-N 0 0 420.553 4.058 40 0 HIABRN CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)[C@H]3CCCO3)cc2N1 ZINC000019451184 558889254 /nfs/dbraw/zinc/88/92/54/558889254.db2.gz BVQWDMDGEUPKNX-QMCVQRASSA-N 0 0 414.472 4.059 40 0 HIABRN CCC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2cc(C)ccc2C)CC1 ZINC000057671509 558889718 /nfs/dbraw/zinc/88/97/18/558889718.db2.gz TYUCUJFOYFNFAK-FQEVSTJZSA-N 0 0 410.591 4.063 40 0 HIABRN CC(C)c1cc(C(=O)NCCn2nc(-c3ccc(F)cc3)cc2-c2cccnc2)no1 ZINC000019452755 558890554 /nfs/dbraw/zinc/89/05/54/558890554.db2.gz UJLUDGFJSOMGPI-UHFFFAOYSA-N 0 0 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CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1 ZINC000223266898 568543419 /nfs/dbraw/zinc/54/34/19/568543419.db2.gz OCDKEPALVSVGRZ-JOCHJYFZSA-N 0 0 410.558 4.404 40 0 HIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C ZINC000223270014 568543506 /nfs/dbraw/zinc/54/35/06/568543506.db2.gz VBPKTMLKCCRXDS-OAQYLSRUSA-N 0 0 410.558 4.404 40 0 HIABRN COc1ccc(CN(C(=O)C(C)C)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1 ZINC000223270984 568543529 /nfs/dbraw/zinc/54/35/29/568543529.db2.gz LWZCKTIADGLGJT-QHCPKHFHSA-N 0 0 410.558 4.063 40 0 HIABRN CCC1(CC)C[C@H](NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c2ccccc2O1 ZINC000223270301 568543585 /nfs/dbraw/zinc/54/35/85/568543585.db2.gz QMLONRFUOCRDTJ-IBGZPJMESA-N 0 0 416.543 4.179 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cccc(C)c1 ZINC000223280700 568543923 /nfs/dbraw/zinc/54/39/23/568543923.db2.gz HJTAWUHTKHOWTF-LJQANCHMSA-N 0 0 423.340 4.234 40 0 HIABRN Fc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1 ZINC000223318112 568545073 /nfs/dbraw/zinc/54/50/73/568545073.db2.gz IYNYJOUWPCTIKW-NYVOZVTQSA-N 0 0 422.529 4.163 40 0 HIABRN CC(C)C(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccncc1)c1ccccc1 ZINC000223349524 568546112 /nfs/dbraw/zinc/54/61/12/568546112.db2.gz IMUDIRNIXDVGIY-HSZRJFAPSA-N 0 0 401.510 4.124 40 0 HIABRN CCC1(CC)C[C@H](NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)c2ccccc2O1 ZINC000223406563 568547782 /nfs/dbraw/zinc/54/77/82/568547782.db2.gz DFYZINIUFIHQHZ-IBGZPJMESA-N 0 0 416.543 4.179 40 0 HIABRN COC(=O)c1ccc(N(C)Cc2ccccc2)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000223412007 568547864 /nfs/dbraw/zinc/54/78/64/568547864.db2.gz YKZMGVDNAMXUCR-UHFFFAOYSA-N 0 0 424.522 4.219 40 0 HIABRN CC(C)OC(=O)c1ccc(N2CCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000223425215 568548711 /nfs/dbraw/zinc/54/87/11/568548711.db2.gz YCOCHEXCERFTCS-UHFFFAOYSA-N 0 0 422.934 4.306 40 0 HIABRN O=C(C1CC1)N1CCc2cc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)ccc21 ZINC000223435906 568548889 /nfs/dbraw/zinc/54/88/89/568548889.db2.gz GDONICOQAMVQBC-UHFFFAOYSA-N 0 0 411.310 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568550321 /nfs/dbraw/zinc/55/03/21/568550321.db2.gz SLJKTUNXCZNAFT-VXKWHMMOSA-N 0 0 415.522 4.092 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2ccco2)N1Cc1ccncc1 ZINC000223491313 568550351 /nfs/dbraw/zinc/55/03/51/568550351.db2.gz SLJKTUNXCZNAFT-YADHBBJMSA-N 0 0 415.522 4.092 40 0 HIABRN CNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 ZINC000223493145 568550389 /nfs/dbraw/zinc/55/03/89/568550389.db2.gz BWUGVADMQKUBPP-DEOSSOPVSA-N 0 0 404.485 4.274 40 0 HIABRN COc1ccc(CN(C(=O)C(C)C)[C@H](C(=O)NCc2ccco2)c2ccccc2)cc1 ZINC000223555761 568551557 /nfs/dbraw/zinc/55/15/57/568551557.db2.gz MIUZZHGYRAIWQW-QHCPKHFHSA-N 0 0 420.509 4.331 40 0 HIABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C)cc1C ZINC000223559374 568551706 /nfs/dbraw/zinc/55/17/06/568551706.db2.gz PRTVDAVMJUYJQP-NRFANRHFSA-N 0 0 410.558 4.058 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1cccc(C)c1C ZINC000223559166 568551710 /nfs/dbraw/zinc/55/17/10/568551710.db2.gz XVEVPQIIBFQATK-OAQYLSRUSA-N 0 0 410.558 4.058 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl ZINC000223592567 568552650 /nfs/dbraw/zinc/55/26/50/568552650.db2.gz PZFRFJBUCXMFLY-HNNXBMFYSA-N 0 0 407.341 4.398 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223593478 568552745 /nfs/dbraw/zinc/55/27/45/568552745.db2.gz VRFRMGRLKHWNJK-OAHLLOKOSA-N 0 0 423.340 4.234 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223595184 568552875 /nfs/dbraw/zinc/55/28/75/568552875.db2.gz ZDBNXZYDJLFBCX-QGZVFWFLSA-N 0 0 418.990 4.435 40 0 HIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1C ZINC000223629336 568553974 /nfs/dbraw/zinc/55/39/74/568553974.db2.gz XCUGQLJLOPLIBU-QFIPXVFZSA-N 0 0 410.558 4.268 40 0 HIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1cccc(C)c1 ZINC000223629487 568554022 /nfs/dbraw/zinc/55/40/22/568554022.db2.gz PCPUUOLGJJWSOP-QFIPXVFZSA-N 0 0 410.558 4.268 40 0 HIABRN OCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 ZINC000223629756 568554133 /nfs/dbraw/zinc/55/41/33/568554133.db2.gz NOUDEMBOCDBLGE-WOJBJXKFSA-N 0 0 411.552 4.181 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)(C)C ZINC000223635768 568554320 /nfs/dbraw/zinc/55/43/20/568554320.db2.gz WYJNELYKLKDARQ-LJQANCHMSA-N 0 0 410.558 4.225 40 0 HIABRN CC(C)(C)c1ccccc1OCCNS(=O)(=O)c1ccc(Br)cc1 ZINC000223691073 568556330 /nfs/dbraw/zinc/55/63/30/568556330.db2.gz LPFRTVWFGHMDKQ-UHFFFAOYSA-N 0 0 412.349 4.104 40 0 HIABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1cc(C)ccc1C ZINC000223707765 568556977 /nfs/dbraw/zinc/55/69/77/568556977.db2.gz RMSHBQBQSTVCTL-QFIPXVFZSA-N 0 0 424.585 4.447 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(F)cc1 ZINC000223717960 568557315 /nfs/dbraw/zinc/55/73/15/568557315.db2.gz XDCNTXRKNJMRPE-HNNXBMFYSA-N 0 0 422.953 4.266 40 0 HIABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCCN(C)c1ccccc1 ZINC000223725140 568557461 /nfs/dbraw/zinc/55/74/61/568557461.db2.gz JXSGBDHPGVIWEM-XLNRJJMWSA-N 0 0 419.550 4.080 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1 ZINC000223727713 568557633 /nfs/dbraw/zinc/55/76/33/568557633.db2.gz WGTDTTQVTMTVJT-MRXNPFEDSA-N 0 0 404.963 4.127 40 0 HIABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 ZINC000223742585 568557804 /nfs/dbraw/zinc/55/78/04/568557804.db2.gz ORIXIMPXBOXLRB-HXUWFJFHSA-N 0 0 408.542 4.322 40 0 HIABRN CCc1ccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223746187 568557900 /nfs/dbraw/zinc/55/79/00/568557900.db2.gz DLLFDRUVRLKMQP-IBGZPJMESA-N 0 0 408.542 4.104 40 0 HIABRN C[C@@H](CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 ZINC000223745513 568557906 /nfs/dbraw/zinc/55/79/06/568557906.db2.gz DNFXVIAZDHKKCG-SFHVURJKSA-N 0 0 408.523 4.045 40 0 HIABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccccc1Cl ZINC000223744452 568557914 /nfs/dbraw/zinc/55/79/14/568557914.db2.gz SDCFVBYAELDLFB-QGZVFWFLSA-N 0 0 414.933 4.195 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc2ccccc21 ZINC000223758540 568558328 /nfs/dbraw/zinc/55/83/28/568558328.db2.gz RPBVDGYCWCUTJD-QGZVFWFLSA-N 0 0 424.928 4.425 40 0 HIABRN CCc1ccc([C@@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000223773262 568558640 /nfs/dbraw/zinc/55/86/40/568558640.db2.gz CIBMDKWWPFAGEE-LJQANCHMSA-N 0 0 422.550 4.322 40 0 HIABRN CC(C)c1ccccc1OCCNS(=O)(=O)Cc1ccc(Br)cc1 ZINC000223778342 568558808 /nfs/dbraw/zinc/55/88/08/568558808.db2.gz LXRCXCSGSKGWGE-UHFFFAOYSA-N 0 0 412.349 4.071 40 0 HIABRN CC(C)(Cc1ccccc1)NC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000223794724 568559343 /nfs/dbraw/zinc/55/93/43/568559343.db2.gz IJLSNJPUFFEFHN-UHFFFAOYSA-N 0 0 422.978 4.024 40 0 HIABRN Cc1ccc(CN(C(=O)COc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223807540 568559655 /nfs/dbraw/zinc/55/96/55/568559655.db2.gz NZHLUROHBAWIGZ-FQEVSTJZSA-N 0 0 408.542 4.158 40 0 HIABRN Cc1ccc(CN(C(=O)COc2cc(C)ccc2C)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223812334 568559760 /nfs/dbraw/zinc/55/97/60/568559760.db2.gz IWFHGXAGHOBNEY-OAQYLSRUSA-N 0 0 422.569 4.467 40 0 HIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1F ZINC000223817590 568559845 /nfs/dbraw/zinc/55/98/45/568559845.db2.gz JLGXTKHFTCACKL-FQEVSTJZSA-N 0 0 418.484 4.067 40 0 HIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1cccc(C)c1 ZINC000223817500 568559866 /nfs/dbraw/zinc/55/98/66/568559866.db2.gz FDQHVMPJQIXNLR-QFIPXVFZSA-N 0 0 414.521 4.237 40 0 HIABRN Cc1ccc(CN(c2ccc(C(=O)NCC3CCCCC3)cc2)S(C)(=O)=O)cc1 ZINC000223828174 568560115 /nfs/dbraw/zinc/56/01/15/568560115.db2.gz UJDFQWNSPLRPSL-UHFFFAOYSA-N 0 0 414.571 4.271 40 0 HIABRN O=C(OCc1ccccc1I)c1snnc1-c1ccccc1 ZINC000223833742 568560299 /nfs/dbraw/zinc/56/02/99/568560299.db2.gz KFZUSJIPXRZZLQ-UHFFFAOYSA-N 0 0 422.247 4.167 40 0 HIABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cc(C)ccc1C ZINC000223834183 568560302 /nfs/dbraw/zinc/56/03/02/568560302.db2.gz DXSYBJONDPUYEW-GOSISDBHSA-N 0 0 400.950 4.443 40 0 HIABRN COc1ccc(-c2nnsc2C(=O)OCc2cnc(-c3cccc(F)c3)nc2)cc1 ZINC000223839458 568560457 /nfs/dbraw/zinc/56/04/57/568560457.db2.gz BOQLTTMIZLVAAF-UHFFFAOYSA-N 0 0 422.441 4.167 40 0 HIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCSc1ccccc1 ZINC000223845275 568560689 /nfs/dbraw/zinc/56/06/89/568560689.db2.gz AVOZHZROMXNQRL-QGZVFWFLSA-N 0 0 402.535 4.251 40 0 HIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc(C)cc1 ZINC000223844497 568560738 /nfs/dbraw/zinc/56/07/38/568560738.db2.gz LWQFOUCVBRAUPV-GOSISDBHSA-N 0 0 416.562 4.311 40 0 HIABRN C[C@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000223861824 568561206 /nfs/dbraw/zinc/56/12/06/568561206.db2.gz SLGCFWZARSWYRS-KRWDZBQOSA-N 0 0 409.507 4.160 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(C)cc1 ZINC000223875014 568561520 /nfs/dbraw/zinc/56/15/20/568561520.db2.gz NEASVUQVHZWERU-HNNXBMFYSA-N 0 0 423.340 4.234 40 0 HIABRN COc1cc(C)c(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1C(C)C ZINC000223898331 568562386 /nfs/dbraw/zinc/56/23/86/568562386.db2.gz APKWCWCQJSCYIL-UHFFFAOYSA-N 0 0 402.516 4.055 40 0 HIABRN 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CCc1onc(C)c1C(=O)N1CCC[C@H](c2nc3ccccn3c2NC(C)(C)C)C1 ZINC000012088151 558322834 /nfs/dbraw/zinc/32/28/34/558322834.db2.gz NXHDCIKBBHCJDR-INIZCTEOSA-N 0 0 409.534 4.423 40 0 HIABRN CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)c(Br)c1 ZINC000020047680 558327820 /nfs/dbraw/zinc/32/78/20/558327820.db2.gz QMSCUWDHRAOROH-ZDUSSCGKSA-N 0 0 422.319 4.285 40 0 HIABRN COc1ccccc1CN(C)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C ZINC000020049706 558328246 /nfs/dbraw/zinc/32/82/46/558328246.db2.gz IBBRRJIUANXYPO-UHFFFAOYSA-N 0 0 424.522 4.077 40 0 HIABRN CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CCCCC3)cc2)cc1 ZINC000020062774 558329809 /nfs/dbraw/zinc/32/98/09/558329809.db2.gz FTAKVOWFZDLHRL-UHFFFAOYSA-N 0 0 418.584 4.296 40 0 HIABRN Cc1cc([C@H]2CCCCCN2C(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)on1 ZINC000012119659 558330303 /nfs/dbraw/zinc/33/03/03/558330303.db2.gz XSRDSDCYADXWSB-MRXNPFEDSA-N 0 0 410.440 4.221 40 0 HIABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C3CCCC3)ccc2C)cc1C ZINC000020107335 558333906 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COc1ccccc1C(=O)NC(=S)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 ZINC000020152561 558341565 /nfs/dbraw/zinc/34/15/65/558341565.db2.gz OLHATJOCZGJFPA-UHFFFAOYSA-N 0 0 416.886 4.228 40 0 HIABRN CCn1nc(CC(=O)N2[C@@H]3CC[C@H]2CC(c2ccc(F)cc2)C3)c2ccccc2c1=O ZINC000012181071 558342672 /nfs/dbraw/zinc/34/26/72/558342672.db2.gz NQJJSGWEDPZVNG-CTXDPNEZSA-N 0 0 419.500 4.035 40 0 HIABRN Cc1ccccc1-c1nc(SCC(=O)Nc2ccccc2C(=O)OC(C)C)n[nH]1 ZINC000020195649 558345014 /nfs/dbraw/zinc/34/50/14/558345014.db2.gz VSMHEVWMVPUPCQ-UHFFFAOYSA-N 0 0 410.499 4.076 40 0 HIABRN CCn1cc(S(=O)(=O)N2CCCCC[C@@H]2c2cc(-c3cccs3)on2)c(C)n1 ZINC000012187857 558346845 /nfs/dbraw/zinc/34/68/45/558346845.db2.gz YAKYPQSMACDLHZ-MRXNPFEDSA-N 0 0 420.560 4.234 40 0 HIABRN COc1ccc(C(=O)NC(=S)Nc2cccc(-c3ccc(CO)o3)c2)cc1Cl ZINC000020258680 558352076 /nfs/dbraw/zinc/35/20/76/558352076.db2.gz ALLNIUQVXMWWOS-UHFFFAOYSA-N 0 0 416.886 4.228 40 0 HIABRN CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)C2=Cc3ccccc3OC2)C1 ZINC000012221113 558355954 /nfs/dbraw/zinc/35/59/54/558355954.db2.gz INOIMPRAXIFHGX-OAQYLSRUSA-N 0 0 412.493 4.144 40 0 HIABRN O=C(N[C@@H]1CCCc2nc(-c3ccncc3)ncc21)c1nsc(Cl)c1Cl ZINC000012254334 558362450 /nfs/dbraw/zinc/36/24/50/558362450.db2.gz PCAXKPWXBVSTFG-GFCCVEGCSA-N 0 0 406.298 4.109 40 0 HIABRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000020452277 558366518 /nfs/dbraw/zinc/36/65/18/558366518.db2.gz MAXUJRMQPGOVBE-QFIPXVFZSA-N 0 0 414.571 4.297 40 0 HIABRN CC(C)C[C@@H](NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O)c1ccccc1 ZINC000020454602 558368250 /nfs/dbraw/zinc/36/82/50/558368250.db2.gz MVKBBGFJYJYPKN-JOCHJYFZSA-N 0 0 416.587 4.480 40 0 HIABRN COc1ncc(-c2nc(NCc3ccc(F)cc3)ncc2-c2ccsc2)c(OC)n1 ZINC000012327600 558383213 /nfs/dbraw/zinc/38/32/13/558383213.db2.gz YVBHDEWMVFOCSG-UHFFFAOYSA-N 0 0 423.473 4.431 40 0 HIABRN CCCCN1c2nc3ccccc3n2[C@H](c2ccc(F)cc2)[C@H](C(=O)OCC)C1=O ZINC000020638198 558396670 /nfs/dbraw/zinc/39/66/70/558396670.db2.gz MCXVMSMODQYNGW-VQTJNVASSA-N 0 0 409.461 4.091 40 0 HIABRN CCCCN1c2nc3ccccc3n2[C@@H](c2cccc(F)c2)[C@@H](C(=O)OCC)C1=O ZINC000020638429 558396944 /nfs/dbraw/zinc/39/69/44/558396944.db2.gz QNGQTKSBEOLKAZ-UXHICEINSA-N 0 0 409.461 4.091 40 0 HIABRN COc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5ccccc5)nc4nc3C2)cc1 ZINC000020671553 558398356 /nfs/dbraw/zinc/39/83/56/558398356.db2.gz VTPXVZKIZQWTBQ-KRWDZBQOSA-N 0 0 416.506 4.338 40 0 HIABRN Cc1cccc([C@H](C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]([NH3+])CC(=O)[O-])c1 ZINC000021301760 558435097 /nfs/dbraw/zinc/43/50/97/558435097.db2.gz HWLAHRVDNKRPKE-NOZRDPDXSA-N 0 0 415.489 4.236 40 0 HIABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000022245418 558471867 /nfs/dbraw/zinc/47/18/67/558471867.db2.gz WAQHYGULLZCVKA-UHFFFAOYSA-N 0 0 410.518 4.321 40 0 HIABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000022248561 558472646 /nfs/dbraw/zinc/47/26/46/558472646.db2.gz LBGPIMHCHUJSIW-UHFFFAOYSA-N 0 0 424.950 4.005 40 0 HIABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000022248574 558472718 /nfs/dbraw/zinc/47/27/18/558472718.db2.gz LOBYPRBEXHPPRO-UHFFFAOYSA-N 0 0 424.950 4.005 40 0 HIABRN CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000022248587 558472985 /nfs/dbraw/zinc/47/29/85/558472985.db2.gz GXYWBDZEUZBDSJ-UHFFFAOYSA-N 0 0 424.950 4.005 40 0 HIABRN Cc1ccc(N2CCC[C@H](C(=O)NCc3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC000022255864 558474199 /nfs/dbraw/zinc/47/41/99/558474199.db2.gz ILWJCTJDOAGPPM-KRWDZBQOSA-N 0 0 410.905 4.231 40 0 HIABRN CC[C@H](NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000022330420 558479718 /nfs/dbraw/zinc/47/97/18/558479718.db2.gz QKNAFSYADYJSDX-QFIPXVFZSA-N 0 0 416.587 4.460 40 0 HIABRN CC(C)Oc1ccc(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1 ZINC000022399161 558487146 /nfs/dbraw/zinc/48/71/46/558487146.db2.gz RRMDRXCOLWOAAW-UHFFFAOYSA-N 0 0 404.532 4.002 40 0 HIABRN CCSc1ccccc1NC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O ZINC000022398768 558487162 /nfs/dbraw/zinc/48/71/62/558487162.db2.gz YYROSIILXRQTKV-UHFFFAOYSA-N 0 0 406.573 4.129 40 0 HIABRN O=C(CN(c1ccccc1F)S(=O)(=O)c1cccs1)NC1CCCCCCC1 ZINC000022400077 558487401 /nfs/dbraw/zinc/48/74/01/558487401.db2.gz QVQHXNMAPBBWSI-UHFFFAOYSA-N 0 0 424.563 4.312 40 0 HIABRN CC[C@@H](NC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000022427429 558488981 /nfs/dbraw/zinc/48/89/81/558488981.db2.gz LQFFDKXVZXXRMH-OAQYLSRUSA-N 0 0 416.587 4.262 40 0 HIABRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1NS(=O)(=O)c1ccccc1 ZINC000022510109 558492695 /nfs/dbraw/zinc/49/26/95/558492695.db2.gz FROWLWDJSMOECW-INIZCTEOSA-N 0 0 412.486 4.426 40 0 HIABRN COc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000022513247 558493320 /nfs/dbraw/zinc/49/33/20/558493320.db2.gz JDBUPQCUXZQQKS-QGZVFWFLSA-N 0 0 424.522 4.011 40 0 HIABRN O=c1c2cnc(N3CCc4ccccc4C3)nc2ccn1-c1cccc(C(F)(F)F)c1 ZINC000022608897 558501174 /nfs/dbraw/zinc/50/11/74/558501174.db2.gz FXBRFOLPTYTFLN-UHFFFAOYSA-N 0 0 422.410 4.362 40 0 HIABRN Cc1cc(-c2snnc2[C@@H]2CCCN(C(=O)CCc3ccc(C)s3)C2)on1 ZINC000013227446 558526993 /nfs/dbraw/zinc/52/69/93/558526993.db2.gz AAKFYZIPFCSHHM-CQSZACIVSA-N 0 0 402.545 4.210 40 0 HIABRN O=C(NCc1ccc(-c2nc(C3CC3)ncc2-c2ccccn2)cc1)c1ccncc1 ZINC000013267995 558528437 /nfs/dbraw/zinc/52/84/37/558528437.db2.gz WWNLGHOTVCZNIS-UHFFFAOYSA-N 0 0 407.477 4.408 40 0 HIABRN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCSCc1ccccc1F ZINC000013646619 558556823 /nfs/dbraw/zinc/55/68/23/558556823.db2.gz TTXJDOZFUBSCNX-UHFFFAOYSA-N 0 0 408.347 4.485 40 0 HIABRN Cc1c(Cl)cccc1N(CC(=O)N1CCC[C@H](C)C1)S(=O)(=O)c1ccccc1 ZINC000013646653 558557002 /nfs/dbraw/zinc/55/70/02/558557002.db2.gz MZGFOYRQWUZKTN-INIZCTEOSA-N 0 0 420.962 4.102 40 0 HIABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3cccc(C)c3)cc2)cc1 ZINC000013649424 558557872 /nfs/dbraw/zinc/55/78/72/558557872.db2.gz PMSJUQOWPIWDFV-UHFFFAOYSA-N 0 0 408.523 4.059 40 0 HIABRN Cc1ccc(C)c(N(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 ZINC000013669225 558560872 /nfs/dbraw/zinc/56/08/72/558560872.db2.gz JPCBFPIIRVGGFP-GOSISDBHSA-N 0 0 416.587 4.244 40 0 HIABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCc3cccc(C)c3)c2)cc1 ZINC000013669305 558561205 /nfs/dbraw/zinc/56/12/05/558561205.db2.gz SNMQDUAKHTZBQU-UHFFFAOYSA-N 0 0 422.550 4.467 40 0 HIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2)cc1 ZINC000013669639 558561296 /nfs/dbraw/zinc/56/12/96/558561296.db2.gz YURXZTKEXDUJPD-QGZVFWFLSA-N 0 0 406.507 4.387 40 0 HIABRN CCOC(=O)c1cccc(NC(=O)c2ccccc2I)c1C ZINC000013674064 558563652 /nfs/dbraw/zinc/56/36/52/558563652.db2.gz MCYFFKSPNNRKNN-UHFFFAOYSA-N 0 0 409.223 4.029 40 0 HIABRN Cc1ccc(N(CC(=O)N2CCC[C@H](C)C2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000013675630 558564251 /nfs/dbraw/zinc/56/42/51/558564251.db2.gz UGQLCKMVRNCLRB-INIZCTEOSA-N 0 0 420.962 4.102 40 0 HIABRN CCOc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000013679020 558565516 /nfs/dbraw/zinc/56/55/16/558565516.db2.gz TTXAMTXYDXVKOR-UHFFFAOYSA-N 0 0 416.524 4.224 40 0 HIABRN C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000013685364 558569061 /nfs/dbraw/zinc/56/90/61/558569061.db2.gz HXZMRZVFNQCVAZ-UWJYYQICSA-N 0 0 418.493 4.155 40 0 HIABRN Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1 ZINC000013685763 558569503 /nfs/dbraw/zinc/56/95/03/558569503.db2.gz WRUQVOBRRZAEAC-SFHVURJKSA-N 0 0 403.482 4.034 40 0 HIABRN Cc1c(NC(=O)c2ccccc2OCc2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000013687077 558570162 /nfs/dbraw/zinc/57/01/62/558570162.db2.gz AYGOFTGJWVNYDT-UHFFFAOYSA-N 0 0 413.477 4.316 40 0 HIABRN CN(c1cccc(NC(=O)c2ccccc2CCc2ccccc2)c1)S(C)(=O)=O ZINC000013688328 558570961 /nfs/dbraw/zinc/57/09/61/558570961.db2.gz GPPNXUWWEWANPI-UHFFFAOYSA-N 0 0 408.523 4.120 40 0 HIABRN CC[C@H](C(=O)Nc1cccc(Cl)c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013711974 558576448 /nfs/dbraw/zinc/57/64/48/558576448.db2.gz XXEIFPVBGAFNKU-MRXNPFEDSA-N 0 0 401.315 4.177 40 0 HIABRN CC[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713191 558577248 /nfs/dbraw/zinc/57/72/48/558577248.db2.gz GYNQBPUDZVVEPU-KRWDZBQOSA-N 0 0 415.342 4.485 40 0 HIABRN CC[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713754 558577611 /nfs/dbraw/zinc/57/76/11/558577611.db2.gz LPUXJRHJBMDFCN-INIZCTEOSA-N 0 0 415.342 4.485 40 0 HIABRN CC[C@H](C(=O)Nc1ccccc1Cl)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714146 558577779 /nfs/dbraw/zinc/57/77/79/558577779.db2.gz TWFMYOQDOLXMTB-MRXNPFEDSA-N 0 0 401.315 4.177 40 0 HIABRN CC[C@H](C(=O)Nc1ccccc1SC)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714796 558578334 /nfs/dbraw/zinc/57/83/34/558578334.db2.gz FVYGRNOLUTXCKS-MRXNPFEDSA-N 0 0 412.964 4.245 40 0 HIABRN O=C(CSCc1ccccc1F)Nc1ccc(I)cc1 ZINC000024064846 558587393 /nfs/dbraw/zinc/58/73/93/558587393.db2.gz HSZZEJXUGKIJCO-UHFFFAOYSA-N 0 0 401.244 4.302 40 0 HIABRN COc1ccc(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)c2ccccc12 ZINC000013476550 558620190 /nfs/dbraw/zinc/62/01/90/558620190.db2.gz QWHSUXWDDKWTOG-UHFFFAOYSA-N 0 0 414.505 4.366 40 0 in-vitro HIABRN O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000014824894 558674307 /nfs/dbraw/zinc/67/43/07/558674307.db2.gz RGEMGDPTGWHAOT-UHFFFAOYSA-N 0 0 413.326 4.420 40 0 HIABRN COC(=O)c1cccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1 ZINC000039772453 558686334 /nfs/dbraw/zinc/68/63/34/558686334.db2.gz BOGGTJONLPIBIE-UHFFFAOYSA-N 0 0 404.869 4.116 40 0 HIABRN CCN(Cc1cn(CC)nc1C)C(=O)c1cc(C)nc2c1cnn2-c1ccccc1F ZINC000036615790 558729403 /nfs/dbraw/zinc/72/94/03/558729403.db2.gz APTRKIJJTLZIIO-UHFFFAOYSA-N 0 0 420.492 4.055 40 0 HIABRN COc1cccc(-c2cc(C(=O)Nc3cccnc3Cl)c3c(C)nn(C)c3n2)c1 ZINC000036616313 558730790 /nfs/dbraw/zinc/73/07/90/558730790.db2.gz PDODJUNFTBERAG-UHFFFAOYSA-N 0 0 407.861 4.253 40 0 HIABRN CCCn1ncc2c1nc(C1CC1)cc2C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000036616297 558730895 /nfs/dbraw/zinc/73/08/95/558730895.db2.gz GDIFYOIOYFXQGM-INIZCTEOSA-N 0 0 414.513 4.395 40 0 HIABRN O=C(CCc1ccc(Cl)cc1Cl)NCc1ccc(CN2CCOCC2)cc1 ZINC000030523681 558731694 /nfs/dbraw/zinc/73/16/94/558731694.db2.gz MDAKTABVZMNAAL-UHFFFAOYSA-N 0 0 407.341 4.075 40 0 HIABRN O=C(NCc1ccc(Cl)cc1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000015340677 558734486 /nfs/dbraw/zinc/73/44/86/558734486.db2.gz ACNCHMKNDFLLDQ-UHFFFAOYSA-N 0 0 418.877 4.210 40 0 HIABRN O=C(Nc1cccc(Cl)c1Cl)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000030752021 558736303 /nfs/dbraw/zinc/73/63/03/558736303.db2.gz NCJIAADAQSTWSG-UHFFFAOYSA-N 0 0 413.326 4.171 40 0 HIABRN CC[C@@H](NC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(C)cc1 ZINC000030757378 558737482 /nfs/dbraw/zinc/73/74/82/558737482.db2.gz XJVGKWHTZAQLAI-OAQYLSRUSA-N 0 0 416.587 4.426 40 0 HIABRN Cc1nn(C)cc1-c1cc(C(=O)N2CCC[C@@H](C)C2)c2c(n1)onc2-c1ccccc1 ZINC000036618441 558739484 /nfs/dbraw/zinc/73/94/84/558739484.db2.gz JJNMOSPQGNBUSG-OAHLLOKOSA-N 0 0 415.497 4.471 40 0 HIABRN CC[C@@H](NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000030861920 558741833 /nfs/dbraw/zinc/74/18/33/558741833.db2.gz ZTYKCDNKQMYTAI-OAQYLSRUSA-N 0 0 416.587 4.326 40 0 HIABRN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N(C)C3CCCC3)ccc2C)c1 ZINC000030862015 558741835 /nfs/dbraw/zinc/74/18/35/558741835.db2.gz ORXFVZVSKLQNDV-UHFFFAOYSA-N 0 0 400.544 4.427 40 0 HIABRN Cc1nccn1Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 ZINC000030941629 558745595 /nfs/dbraw/zinc/74/55/95/558745595.db2.gz HYWXCLJQXBWAPL-UHFFFAOYSA-N 0 0 402.498 4.118 40 0 HIABRN Cc1ccccc1[C@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000015686375 558749068 /nfs/dbraw/zinc/74/90/68/558749068.db2.gz FDMFYMKBQRTNPU-SFHVURJKSA-N 0 0 408.523 4.311 40 0 HIABRN CC[C@@H](C)[C@H]1C(=O)O[C@H](C(Cl)(Cl)Cl)N1Cc1ccc(OC)cc1OC ZINC000031760327 558752178 /nfs/dbraw/zinc/75/21/78/558752178.db2.gz VYMYWNBINCCXMI-FUEDEBDSSA-N 0 0 410.725 4.174 40 0 HIABRN CC(=O)O[C@H]1CC[C@@H]2[C@@H]3C[C@]4(C)C(=O)C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000033720782 558771034 /nfs/dbraw/zinc/77/10/34/558771034.db2.gz AYFSTNFISNLZKJ-OFGVACSRSA-N 0 0 404.547 4.462 40 0 HIABRN OCc1ccc(OCc2ccc(I)cc2)c(Br)c1 ZINC000034772830 558783783 /nfs/dbraw/zinc/78/37/83/558783783.db2.gz VXPKZPLCFRUWTQ-UHFFFAOYSA-N 0 0 419.056 4.125 40 0 HIABRN 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ZINC000019562544 558923128 /nfs/dbraw/zinc/92/31/28/558923128.db2.gz FFDKRZLSYNDXQV-INIZCTEOSA-N 0 0 411.462 4.489 40 0 HIABRN Cc1ncsc1C(=O)N1CCC[C@@H](c2cc(C(F)(F)F)c3c(C)noc3n2)C1 ZINC000019564027 558924116 /nfs/dbraw/zinc/92/41/16/558924116.db2.gz NHMDGJMOECDNPP-LLVKDONJSA-N 0 0 410.421 4.335 40 0 HIABRN Cc1noc2nc([C@@H]3CCCN(C(=O)c4cnn(C(C)C)c4)C3)cc(C(F)(F)F)c12 ZINC000019564246 558924340 /nfs/dbraw/zinc/92/43/40/558924340.db2.gz LCYAVWJIKAERGE-CYBMUJFWSA-N 0 0 421.423 4.347 40 0 HIABRN Cc1noc2nc(C3CCN(C(=O)c4cnn(C(C)C)c4)CC3)cc(C(F)(F)F)c12 ZINC000019564949 558924999 /nfs/dbraw/zinc/92/49/99/558924999.db2.gz WUQRQCFFYRIIKY-UHFFFAOYSA-N 0 0 421.423 4.347 40 0 HIABRN COc1cccc([C@@H](NC(=O)[C@H]2COc3c(cccc3OC)C2)c2ccccc2)c1 ZINC000019564923 558925095 /nfs/dbraw/zinc/92/50/95/558925095.db2.gz YUXFDJODMPSHIL-OFNKIYASSA-N 0 0 403.478 4.161 40 0 HIABRN COc1cccc([C@@H]2N[C@H](c3cccnc3)Cc3cc(OC)c(OC)cc32)c1OC ZINC000019568147 558927354 /nfs/dbraw/zinc/92/73/54/558927354.db2.gz 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ZINC000072334557 558935566 /nfs/dbraw/zinc/93/55/66/558935566.db2.gz ATKQDMUKZMCZAK-UHFFFAOYSA-N 0 0 409.511 4.187 40 0 HIABRN NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC000072345086 558941656 /nfs/dbraw/zinc/94/16/56/558941656.db2.gz VJTXVBHOESJWNA-GOSISDBHSA-N 0 0 408.567 4.408 40 0 HIABRN Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)n1 ZINC000072346238 558943103 /nfs/dbraw/zinc/94/31/03/558943103.db2.gz ADKIADFTVGNBDZ-SFHVURJKSA-N 0 0 422.479 4.343 40 0 HIABRN CCOc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000060525058 558943174 /nfs/dbraw/zinc/94/31/74/558943174.db2.gz PVDKYOGXICCNJC-UHFFFAOYSA-N 0 0 414.458 4.278 40 0 HIABRN COCC(=O)N1CCCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 ZINC000019592826 558943652 /nfs/dbraw/zinc/94/36/52/558943652.db2.gz JULHVUDTZYMHFK-HXUWFJFHSA-N 0 0 421.476 4.121 40 0 HIABRN COc1ccccc1Cc1cccc(C2CCN(CC(=O)NC3CCCCC3)CC2)n1 ZINC000072348876 558945507 /nfs/dbraw/zinc/94/55/07/558945507.db2.gz IAYBPTQGAKINGF-UHFFFAOYSA-N 0 0 421.585 4.309 40 0 HIABRN COc1ccc(Cc2cccc(C3CCN(C(=O)Cc4cccnc4)CC3)n2)cc1 ZINC000072349404 558946135 /nfs/dbraw/zinc/94/61/35/558946135.db2.gz RGEOZUPDWMVSTI-UHFFFAOYSA-N 0 0 401.510 4.025 40 0 HIABRN CCN(C(=O)CN1CC[C@@H](c2c3ccccc3sc2C(N)=O)C1)c1cccc(C)c1 ZINC000072352203 558948318 /nfs/dbraw/zinc/94/83/18/558948318.db2.gz NJESBDQUMLXGOQ-QGZVFWFLSA-N 0 0 421.566 4.151 40 0 HIABRN COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)c2cc3cc(C)ccc3n2C)cc1 ZINC000019655370 558948627 /nfs/dbraw/zinc/94/86/27/558948627.db2.gz QROSTFDPTIHZKZ-HSZRJFAPSA-N 0 0 400.482 4.006 40 0 HIABRN CO[C@@H]1CCC[C@@H](C(=O)Nc2ccc(-c3cn4nc5c(nc4n3)CCCC5)cc2C)C1 ZINC000019657266 558949624 /nfs/dbraw/zinc/94/96/24/558949624.db2.gz NJTJNIVJHHGUSU-QZTJIDSGSA-N 0 0 419.529 4.122 40 0 HIABRN Cc1cc(C)nc(Nc2ccc([C@H]3CCCN3CC(=O)Nc3ccc(F)cc3)nc2)n1 ZINC000072353011 558949676 /nfs/dbraw/zinc/94/96/76/558949676.db2.gz NTLKWTCIWCPWOR-OAQYLSRUSA-N 0 0 420.492 4.147 40 0 HIABRN COc1ccccc1S(=O)(=O)N1CCC[C@H]1c1ccc(Nc2cccc(C)n2)cn1 ZINC000072353220 558950010 /nfs/dbraw/zinc/95/00/10/558950010.db2.gz FXRWABSYYICNTG-IBGZPJMESA-N 0 0 424.526 4.063 40 0 HIABRN Cc1cc(=O)c2cccc(C(=O)Nc3nnc(Cc4ccc(Cl)cc4)s3)c2[nH]1 ZINC000019658189 558950242 /nfs/dbraw/zinc/95/02/42/558950242.db2.gz GIGCAXQECFMUKP-UHFFFAOYSA-N 0 0 410.886 4.185 40 0 HIABRN Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(CC(=O)Nc3nccs3)C2)n1 ZINC000072353816 558950878 /nfs/dbraw/zinc/95/08/78/558950878.db2.gz IXYIJZNRFZFOPE-HXUWFJFHSA-N 0 0 406.555 4.255 40 0 HIABRN COc1cccc(-c2nccc([C@H]3CCCN3C(=O)c3ccc4[nH]c(C)nc4c3)n2)c1 ZINC000072354376 558951734 /nfs/dbraw/zinc/95/17/34/558951734.db2.gz MSARZVOXODYKMT-JOCHJYFZSA-N 0 0 413.481 4.314 40 0 HIABRN O=C(CCn1c(=O)oc2cc(Cl)ccc21)N(Cc1ccccn1)C1CCCCC1 ZINC000019661545 558952726 /nfs/dbraw/zinc/95/27/26/558952726.db2.gz ZMSFHDMJXRLJTL-UHFFFAOYSA-N 0 0 413.905 4.395 40 0 HIABRN COc1ccccc1Cc1cccc([C@H]2CCCN2CC(=O)NC2CCCCC2)n1 ZINC000072357694 558953514 /nfs/dbraw/zinc/95/35/14/558953514.db2.gz OEMJZXXOBVKUFA-HSZRJFAPSA-N 0 0 407.558 4.267 40 0 HIABRN Cc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)c1 ZINC000072359113 558954713 /nfs/dbraw/zinc/95/47/13/558954713.db2.gz KCEQMZKHNKTXII-LJQANCHMSA-N 0 0 405.473 4.376 40 0 HIABRN O=C(CN1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1)Nc1nccs1 ZINC000072359421 558955189 /nfs/dbraw/zinc/95/51/89/558955189.db2.gz ZMNZSICIYCUEDM-HNNXBMFYSA-N 0 0 413.934 4.072 40 0 HIABRN Cc1cc(Nc2cc([C@@H]3CCCN3C(=O)c3cccc(Cl)c3F)nc(C)n2)n[nH]1 ZINC000072361469 558955970 /nfs/dbraw/zinc/95/59/70/558955970.db2.gz XXNIBUHEAVLENG-INIZCTEOSA-N 0 0 414.872 4.330 40 0 HIABRN COc1ccc(CCC(=O)N2CCC[C@H]2Cc2c3ccccc3sc2C(N)=O)cc1 ZINC000072370316 558956801 /nfs/dbraw/zinc/95/68/01/558956801.db2.gz XCFIWFJPPSWJGW-KRWDZBQOSA-N 0 0 422.550 4.175 40 0 HIABRN Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCC[C@@H]1c1ccc(-c2cncnc2)cn1 ZINC000019688848 558958341 /nfs/dbraw/zinc/95/83/41/558958341.db2.gz NAFSNEIDNSEZGE-OAQYLSRUSA-N 0 0 401.445 4.445 40 0 HIABRN COc1cccc(CC(=O)N2CCC[C@@H]2c2cc(Nc3ccccn3)cc(C)n2)c1 ZINC000072372537 558960188 /nfs/dbraw/zinc/96/01/88/558960188.db2.gz CIMGBBWAPALFPF-JOCHJYFZSA-N 0 0 402.498 4.443 40 0 HIABRN CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1cc(Cc2ccccc2Cl)cc(C)n1 ZINC000019690914 558960331 /nfs/dbraw/zinc/96/03/31/558960331.db2.gz JSMRTWCQASJJSR-OAQYLSRUSA-N 0 0 421.994 4.358 40 0 HIABRN Cc1cc(Nc2cnccn2)cc([C@H]2CCCN2C(=O)CCOc2ccccc2C)n1 ZINC000072372664 558960385 /nfs/dbraw/zinc/96/03/85/558960385.db2.gz NTULQSGTDCDVFA-OAQYLSRUSA-N 0 0 417.513 4.365 40 0 HIABRN CCn1cc(CN2CCCC[C@H]2c2nc(C)c3c(n2)N(CC2CC2)CCC3)c(C)n1 ZINC000072372861 558960506 /nfs/dbraw/zinc/96/05/06/558960506.db2.gz IQAFBJAXTTXXCN-QFIPXVFZSA-N 0 0 408.594 4.200 40 0 HIABRN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H]1c1cc(Cc2cccc(C)c2)cc(C)n1 ZINC000019691954 558961468 /nfs/dbraw/zinc/96/14/68/558961468.db2.gz TUEUXDWFMYZPHN-QFIPXVFZSA-N 0 0 424.570 4.155 40 0 HIABRN COCCc1ncc(CN2CCC[C@@H]2c2cc(Cc3cccc(F)c3)cc(C)n2)cn1 ZINC000019691921 558961486 /nfs/dbraw/zinc/96/14/86/558961486.db2.gz ASWUCKQAQVZUTH-XMMPIXPASA-N 0 0 420.532 4.436 40 0 HIABRN Cc1cc(-c2cncnc2)cc([C@@H]2CCN(C(=O)CCc3cccc(Cl)c3)C2)n1 ZINC000072374707 558962520 /nfs/dbraw/zinc/96/25/20/558962520.db2.gz ATCIFTQTTFVXET-GOSISDBHSA-N 0 0 406.917 4.449 40 0 HIABRN CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2C(=O)c2ccccn2)n1 ZINC000019694483 558962969 /nfs/dbraw/zinc/96/29/69/558962969.db2.gz GIMAPNLTYRYBPI-FQEVSTJZSA-N 0 0 405.477 4.111 40 0 HIABRN COc1cccc(CC(=O)N2CCC[C@H]2c2cccc(Nc3nc(C)cc(C)n3)n2)c1 ZINC000072375245 558963801 /nfs/dbraw/zinc/96/38/01/558963801.db2.gz ITVSQHLROXCPBD-NRFANRHFSA-N 0 0 417.513 4.147 40 0 HIABRN Cc1ccc(OCCN(C)C(=O)c2sc3ccccc3c2[C@H]2CN(C)CCO2)cc1 ZINC000019696709 558964538 /nfs/dbraw/zinc/96/45/38/558964538.db2.gz CPOCJVQQTBJNBE-HXUWFJFHSA-N 0 0 424.566 4.364 40 0 HIABRN COc1cc2c(cc1CN1CCC[C@H]1c1cccc(Nc3nccs3)n1)OCCO2 ZINC000072375792 558964600 /nfs/dbraw/zinc/96/46/00/558964600.db2.gz QQPDDEODXNMOST-KRWDZBQOSA-N 0 0 424.526 4.399 40 0 HIABRN Cc1cc(N2CCO[C@@H](c3c4ccccc4sc3C(=O)NC(C)C)C2)nc(C)n1 ZINC000019697665 558965279 /nfs/dbraw/zinc/96/52/79/558965279.db2.gz NZHKVZWESXFCFS-QGZVFWFLSA-N 0 0 410.543 4.024 40 0 HIABRN NC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)CC2CCCCC2)CC1 ZINC000019700223 558966898 /nfs/dbraw/zinc/96/68/98/558966898.db2.gz LYWPMZLGJZAGTJ-UHFFFAOYSA-N 0 0 419.569 4.356 40 0 HIABRN CC(C)c1nccn1-c1cccc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)n1 ZINC000072378602 558967587 /nfs/dbraw/zinc/96/75/87/558967587.db2.gz SDOXTPWZHKZABF-UHFFFAOYSA-N 0 0 422.504 4.315 40 0 HIABRN CC(C)c1nccn1-c1cccc([C@@H]2CCCN(C(=O)COc3ccccc3)C2)n1 ZINC000072379028 558967769 /nfs/dbraw/zinc/96/77/69/558967769.db2.gz IDGYIVOILSVYOC-LJQANCHMSA-N 0 0 404.514 4.176 40 0 HIABRN CCc1nccn1-c1cccc([C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)n1 ZINC000072379254 558968078 /nfs/dbraw/zinc/96/80/78/558968078.db2.gz IRXLYWCBFUFUAE-LJQANCHMSA-N 0 0 404.514 4.005 40 0 HIABRN CC(C)(C(=O)N1CCC[C@H](c2ccc(C(=O)N3CCCC3)cn2)C1)c1ccc(F)cc1 ZINC000019705920 558968577 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LSQHAYZNVDXWEC-IBGZPJMESA-N 0 0 410.558 4.268 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223090639 568537205 /nfs/dbraw/zinc/53/72/05/568537205.db2.gz AVATUXLIQLXGRQ-OAQYLSRUSA-N 0 0 416.949 4.361 40 0 HIABRN C[C@@H]1Cc2cc(S(=O)(=O)N3CCCCC3)ccc2N1C(=O)c1ccc(Cl)cc1 ZINC000223089938 568537207 /nfs/dbraw/zinc/53/72/07/568537207.db2.gz NNCXAYCMGONQQE-OAHLLOKOSA-N 0 0 418.946 4.106 40 0 HIABRN COCCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C ZINC000223093872 568537314 /nfs/dbraw/zinc/53/73/14/568537314.db2.gz QCEVUQNWKATHFG-FCHUYYIVSA-N 0 0 412.603 4.452 40 0 HIABRN CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000223094818 568537408 /nfs/dbraw/zinc/53/74/08/568537408.db2.gz SAPLLPUXAFUSAO-FQEVSTJZSA-N 0 0 420.962 4.471 40 0 HIABRN Cc1ccc(SCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223095244 568537410 /nfs/dbraw/zinc/53/74/10/568537410.db2.gz ITKLMCISBPJZPI-IBGZPJMESA-N 0 0 412.599 4.462 40 0 HIABRN CC[C@@H](NC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1)c1ccc2c(c1)CCCC2 ZINC000223122695 568538433 /nfs/dbraw/zinc/53/84/33/568538433.db2.gz QKUPXXNKALLVJY-OAQYLSRUSA-N 0 0 414.571 4.151 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cccc(Cl)c1 ZINC000223140429 568539249 /nfs/dbraw/zinc/53/92/49/568539249.db2.gz DRPGJLYWEQJAKZ-GOSISDBHSA-N 0 0 416.949 4.361 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1 ZINC000223143270 568539348 /nfs/dbraw/zinc/53/93/48/568539348.db2.gz LTJRJSQSTQKEPZ-QGZVFWFLSA-N 0 0 402.922 4.052 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl ZINC000223144901 568539349 /nfs/dbraw/zinc/53/93/49/568539349.db2.gz QJKBNTXVDMMWKP-LJQANCHMSA-N 0 0 407.341 4.479 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1 ZINC000223152133 568539550 /nfs/dbraw/zinc/53/95/50/568539550.db2.gz SSCOQQJHNZJVJT-IBGZPJMESA-N 0 0 404.963 4.127 40 0 HIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1cc(C)ccc1C ZINC000223167365 568539783 /nfs/dbraw/zinc/53/97/83/568539783.db2.gz JESMMCYXDOEELC-NRFANRHFSA-N 0 0 410.558 4.404 40 0 HIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1ccccc1C ZINC000223179096 568540204 /nfs/dbraw/zinc/54/02/04/568540204.db2.gz JDGKZQGOAJLBFH-NRFANRHFSA-N 0 0 410.558 4.404 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccc(C)cc1 ZINC000223180167 568540359 /nfs/dbraw/zinc/54/03/59/568540359.db2.gz UWOSAHAWTYLIES-OAQYLSRUSA-N 0 0 416.949 4.361 40 0 HIABRN CSc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1C(=O)N1CCCC1 ZINC000026115086 568540370 /nfs/dbraw/zinc/54/03/70/568540370.db2.gz FOGRHWKPSHTVQC-UHFFFAOYSA-N 0 0 418.584 4.371 40 0 HIABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccco1 ZINC000223198525 568540960 /nfs/dbraw/zinc/54/09/60/568540960.db2.gz ZOHPXNSJEIBDBR-QHCPKHFHSA-N 0 0 422.500 4.475 40 0 HIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1 ZINC000223221007 568541353 /nfs/dbraw/zinc/54/13/53/568541353.db2.gz GLGTYGFEIAMGDQ-JOCHJYFZSA-N 0 0 410.558 4.404 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1F ZINC000223235639 568541936 /nfs/dbraw/zinc/54/19/36/568541936.db2.gz LPEJJEQOXBZPMH-MRXNPFEDSA-N 0 0 420.912 4.192 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1 ZINC000223238520 568542170 /nfs/dbraw/zinc/54/21/70/568542170.db2.gz BPMFCKFWUWOFNX-INIZCTEOSA-N 0 0 420.912 4.192 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223239079 568542195 /nfs/dbraw/zinc/54/21/95/568542195.db2.gz PLUFBTJNDVXKHI-GOSISDBHSA-N 0 0 411.304 4.228 40 0 HIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 ZINC000223240077 568542313 /nfs/dbraw/zinc/54/23/13/568542313.db2.gz KNUROHPRCGVOEY-HNNXBMFYSA-N 0 0 411.527 4.493 40 0 HIABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000223266549 568543301 /nfs/dbraw/zinc/54/33/01/568543301.db2.gz GKGKMVCHOCYRAY-QHCPKHFHSA-N 0 0 410.558 4.207 40 0 HIABRN COc1cc(C)c([C@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1C(C)C ZINC000223296988 568544348 /nfs/dbraw/zinc/54/43/48/568544348.db2.gz OTAHHEDUCGEUBD-INIZCTEOSA-N 0 0 418.559 4.014 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccccc2)N1C[C@@H]1CCCO1 ZINC000223316809 568544975 /nfs/dbraw/zinc/54/49/75/568544975.db2.gz YYQJVBZHQIJQAM-VLCRHTCISA-N 0 0 404.539 4.024 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1F ZINC000223327923 568545384 /nfs/dbraw/zinc/54/53/84/568545384.db2.gz USFOOTFUBOAKED-SFHVURJKSA-N 0 0 411.304 4.228 40 0 HIABRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)n1-c1cccnc1 ZINC000223338704 568545750 /nfs/dbraw/zinc/54/57/50/568545750.db2.gz PKOYDKPKENJMRI-FGZHOGPDSA-N 0 0 415.522 4.341 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2ccco2)N1Cc1ccco1 ZINC000223339545 568545753 /nfs/dbraw/zinc/54/57/53/568545753.db2.gz OXAWPKOQXCKISW-NHCUHLMSSA-N 0 0 404.495 4.290 40 0 HIABRN Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cccc4c3CCCC4)n2)c1 ZINC000223353477 568546234 /nfs/dbraw/zinc/54/62/34/568546234.db2.gz OXWPVTUVKJWSNP-KRWDZBQOSA-N 0 0 405.498 4.350 40 0 HIABRN COc1ccc(CCNC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)cc2)cc1 ZINC000223366379 568546685 /nfs/dbraw/zinc/54/66/85/568546685.db2.gz CCPYURUIMHRGTO-JWGURIENSA-N 0 0 420.534 4.195 40 0 HIABRN COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)ccc1C ZINC000223374046 568546762 /nfs/dbraw/zinc/54/67/62/568546762.db2.gz RMSYYCOHWDNULJ-INIZCTEOSA-N 0 0 419.543 4.262 40 0 HIABRN CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCc1ccncc1)c1ccccc1 ZINC000223406284 568547720 /nfs/dbraw/zinc/54/77/20/568547720.db2.gz SYNLUXOVBUAIRP-JOCHJYFZSA-N 0 0 407.901 4.141 40 0 HIABRN Cc1ccc(N(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)cc1Cl ZINC000223415122 568548114 /nfs/dbraw/zinc/54/81/14/568548114.db2.gz OCYIYUZQJQMRFO-KRWDZBQOSA-N 0 0 422.978 4.217 40 0 HIABRN Cc1cc(C)c([C@@H](C)NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1C ZINC000223414972 568548124 /nfs/dbraw/zinc/54/81/24/568548124.db2.gz NFCIXTUYRGUJFR-QGZVFWFLSA-N 0 0 422.978 4.217 40 0 HIABRN COc1ccc(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1Br ZINC000223429733 568548768 /nfs/dbraw/zinc/54/87/68/568548768.db2.gz BZJVKVKOFXJPCQ-CQSZACIVSA-N 0 0 412.349 4.422 40 0 HIABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1C1CC1 ZINC000223452752 568549279 /nfs/dbraw/zinc/54/92/79/568549279.db2.gz LZERIQWYISSPCG-FCHUYYIVSA-N 0 0 403.555 4.403 40 0 HIABRN CC[C@@H](C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)N(c1ccccc1)S(C)(=O)=O ZINC000223454727 568549295 /nfs/dbraw/zinc/54/92/95/568549295.db2.gz RAPQGOJIVPRKER-RXVVDRJESA-N 0 0 402.560 4.034 40 0 HIABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CSCc1ccccc1Cl ZINC000223461864 568549637 /nfs/dbraw/zinc/54/96/37/568549637.db2.gz HQZRAZDZIKJCEB-HXUWFJFHSA-N 0 0 418.990 4.169 40 0 HIABRN Cc1cccc(N(CCCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)c1 ZINC000223473589 568549907 /nfs/dbraw/zinc/54/99/07/568549907.db2.gz CPPJOKSXXKYVBG-FQEVSTJZSA-N 0 0 416.587 4.344 40 0 HIABRN CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccncc1)c1ccccc1 ZINC000223478219 568550016 /nfs/dbraw/zinc/55/00/16/568550016.db2.gz NIKYEMBAYVTRPV-HSZRJFAPSA-N 0 0 405.473 4.017 40 0 HIABRN CC[C@@H](C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)N(c1cccc(C)c1)S(C)(=O)=O ZINC000223481215 568550112 /nfs/dbraw/zinc/55/01/12/568550112.db2.gz SZZJUZVBPUOISD-UGKGYDQZSA-N 0 0 416.587 4.342 40 0 HIABRN CSc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1NC(C)=O ZINC000223501607 568550579 /nfs/dbraw/zinc/55/05/79/568550579.db2.gz FLMFCPBRHPFJIV-HNNXBMFYSA-N 0 0 406.573 4.332 40 0 HIABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1C1CC1 ZINC000223527211 568550920 /nfs/dbraw/zinc/55/09/20/568550920.db2.gz HHNPNXVONKRRBP-FCHUYYIVSA-N 0 0 403.555 4.403 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223533168 568551035 /nfs/dbraw/zinc/55/10/35/568551035.db2.gz WWEJMTVWUAWGTA-KRWDZBQOSA-N 0 0 402.922 4.052 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccccc2)N1Cc1ccccn1 ZINC000223545276 568551415 /nfs/dbraw/zinc/55/14/15/568551415.db2.gz VRKPNNXNKMXEEH-DHIUTWEWSA-N 0 0 411.534 4.440 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1cc(C)ccc1C ZINC000223548933 568551530 /nfs/dbraw/zinc/55/15/30/568551530.db2.gz LKUZWKXCSPROPA-OAQYLSRUSA-N 0 0 410.558 4.058 40 0 HIABRN CC[C@@H](NC(=O)COc1cc(C)ccc1C(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000223551805 568551594 /nfs/dbraw/zinc/55/15/94/568551594.db2.gz CTYGBIHQJTVYMA-HXUWFJFHSA-N 0 0 403.544 4.168 40 0 HIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1Cc1ccccn1 ZINC000223558202 568551749 /nfs/dbraw/zinc/55/17/49/568551749.db2.gz WDGNGVRNJIJPPN-GOTSBHOMSA-N 0 0 411.534 4.440 40 0 HIABRN COc1ccccc1[C@@H](C)NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 ZINC000223568157 568551951 /nfs/dbraw/zinc/55/19/51/568551951.db2.gz HVIXUEVFCTWYQM-QGZVFWFLSA-N 0 0 424.522 4.011 40 0 HIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1 ZINC000223588843 568552502 /nfs/dbraw/zinc/55/25/02/568552502.db2.gz UCPJFRUJKCYSIZ-QFIPXVFZSA-N 0 0 410.558 4.350 40 0 HIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCC2CCCCC2)c2ccc(F)cc2)cc1 ZINC000223594680 568552687 /nfs/dbraw/zinc/55/26/87/568552687.db2.gz 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CS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc(Cl)cc1 ZINC000033666994 569350935 /nfs/dbraw/zinc/35/09/35/569350935.db2.gz NRNAJNFHCFBGPX-UHFFFAOYSA-N 0 0 421.733 4.047 40 0 HIABRN Fc1ccccc1COc1ccc(Br)cc1C(=S)N1CCOCC1 ZINC000033700039 569351029 /nfs/dbraw/zinc/35/10/29/569351029.db2.gz CDBWFYROQUBLDN-UHFFFAOYSA-N 0 0 410.308 4.175 40 0 HIABRN CCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCC2)cc1 ZINC000033709346 569351107 /nfs/dbraw/zinc/35/11/07/569351107.db2.gz WXBHXRLSIFMOAZ-UHFFFAOYSA-N 0 0 403.935 4.466 40 0 HIABRN O=C(NC(=S)Nc1cccc2cc(O)ccc21)c1ccc(Br)cc1 ZINC000033876801 569351454 /nfs/dbraw/zinc/35/14/54/569351454.db2.gz GEQWLSNHHHPCNY-UHFFFAOYSA-N 0 0 401.285 4.435 40 0 HIABRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(C(F)(F)F)cc3)C2=O)o1 ZINC000035331368 569351691 /nfs/dbraw/zinc/35/16/91/569351691.db2.gz RJWKPGQILBIVSE-RIYZIHGNSA-N 0 0 411.357 4.322 40 0 HIABRN C=CCN1C(=O)/C(=C/c2cc(Br)c(OC)c(OCC)c2)SC1=S ZINC000043078896 569351995 /nfs/dbraw/zinc/35/19/95/569351995.db2.gz GPWWOWCNCBNMBH-LCYFTJDESA-N 0 0 414.346 4.244 40 0 HIABRN CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000107615502 569352721 /nfs/dbraw/zinc/35/27/21/569352721.db2.gz YGCHJNVRVKIICP-UHFFFAOYSA-N 0 0 424.522 4.376 40 0 HIABRN CCOc1cc(C(=O)Nc2ccccc2F)cc(I)c1OC ZINC000107903109 569353109 /nfs/dbraw/zinc/35/31/09/569353109.db2.gz CZMFOWIUVPQSCE-UHFFFAOYSA-N 0 0 415.202 4.090 40 0 HIABRN COc1ccc(C(=O)/N=c2\sc(C)c(-c3ccc(Cl)cc3)n2C)cc1OC ZINC000107981454 569353220 /nfs/dbraw/zinc/35/32/20/569353220.db2.gz XJCSQIORONJXOI-XDOYNYLZSA-N 0 0 402.903 4.474 40 0 HIABRN Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c1 ZINC000108003858 569353310 /nfs/dbraw/zinc/35/33/10/569353310.db2.gz NFGOWZKUHLRHHE-SFHVURJKSA-N 0 0 424.522 4.052 40 0 HIABRN O=C(CSc1nc2ccccc2c(=O)[nH]1)N1c2ccccc2S[C@H]2C=CC=C[C@@H]21 ZINC000108922411 569353588 /nfs/dbraw/zinc/35/35/88/569353588.db2.gz OZPKFRXNNNEKIZ-WMZOPIPTSA-N 0 0 419.531 4.017 40 0 HIABRN Cc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000138625784 569354134 /nfs/dbraw/zinc/35/41/34/569354134.db2.gz LPSDCZNNZPNUKZ-UHFFFAOYSA-N 0 0 422.403 4.305 40 0 HIABRN Cc1ccc([C@H](CNC(=O)c2ccc(N3CCC(C)CC3)cc2)N2CCOCC2)cc1 ZINC000141542062 569354640 /nfs/dbraw/zinc/35/46/40/569354640.db2.gz RFETYEVCWCFGSW-VWLOTQADSA-N 0 0 421.585 4.035 40 0 HIABRN CC(C)=C[C@H]1[C@@H](C(=O)N(Cc2cccc(Cl)c2)[C@@H]2CCS(=O)(=O)C2)C1(C)C ZINC000027663987 569388828 /nfs/dbraw/zinc/38/88/28/569388828.db2.gz VBLVHHBHHQUQBE-QYZOEREBSA-N 0 0 409.979 4.094 40 0 HIABRN Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccncc2)C1=O ZINC000009282763 569392100 /nfs/dbraw/zinc/39/21/00/569392100.db2.gz NDIWNNJWRZVTDL-NJYVYQBISA-N 0 0 419.868 4.095 40 0 HIABRN CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2Cl)cc(-c2cccnc2)n1 ZINC000328981950 571306208 /nfs/dbraw/zinc/30/62/08/571306208.db2.gz GXAIRMUUGZLNPB-KRWDZBQOSA-N 0 0 418.328 5.018 40 0 HIABRN CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)cc2Cl)cc(-c2ccncc2)n1 ZINC000328980365 571306209 /nfs/dbraw/zinc/30/62/09/571306209.db2.gz GLNNKHTUBFLICD-SFHVURJKSA-N 0 0 418.328 5.018 40 0 HIABRN CC[C@H](C)Nc1nc(-c2cccnc2)cc(=NNc2c(F)c(F)cc(F)c2F)[nH]1 ZINC000328990941 571309475 /nfs/dbraw/zinc/30/94/75/571309475.db2.gz IQOBNWSDIRCJTC-JTQLQIEISA-N 0 0 406.387 4.744 40 0 HIABRN Clc1ccc(Nc2nc3nonc3nc2Nc2cccc(Br)c2)cc1 ZINC000408822308 571310515 /nfs/dbraw/zinc/31/05/15/571310515.db2.gz KVXQLPOJLYDNEA-UHFFFAOYSA-N 0 0 417.654 4.916 40 0 HIABRN CCCCCC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CC2=NCCc3cc(F)ccc32)C1 ZINC000049590575 291262674 /nfs/dbraw/zinc/26/26/74/291262674.db2.gz BEDDFHBYGVBLNK-WMZOPIPTSA-N 0 0 402.510 4.081 40 0 biogenic,in-vitro HIABRN COc1ccc(-c2noc(C(=O)N3CCC(Cc4ccccc4)CC3)c2[C@H](C)O)cc1 ZINC000225431078 291265935 /nfs/dbraw/zinc/26/59/35/291265935.db2.gz SLMWIRIFBPURNE-KRWDZBQOSA-N 0 0 420.509 4.498 40 0 biogenic,in-vitro HIABRN COc1ccc(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c3ccc(-c3ccccc3C)c2=O)cc1 ZINC000008297433 291266046 /nfs/dbraw/zinc/26/60/46/291266046.db2.gz CSSDWEFIDIYDAP-AZUAARDMSA-N 0 0 414.505 4.092 40 0 biogenic,in-vitro HIABRN O=C(c1ccccc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3ccc(Cl)cc3)c12 ZINC000004237379 291270082 /nfs/dbraw/zinc/27/00/82/291270082.db2.gz KQLKMVZFPLYRQM-QFBILLFUSA-N 0 0 404.897 4.428 40 0 biogenic,in-vitro HIABRN CC[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000002792966 132257936 /nfs/dbraw/zinc/25/79/36/132257936.db2.gz DPALDSKMRWFZOR-AWEZNQCLSA-N 0 0 410.524 4.052 40 0 HIABRN O=C(CCN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N1c2ccccc2Sc2ccccc21 ZINC000004674664 132282098 /nfs/dbraw/zinc/28/20/98/132282098.db2.gz WSFSAUAPCTZKGG-NDJGUNTQSA-N 0 0 416.502 4.013 40 0 HIABRN O=C(/C=C/c1ccccc1)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 ZINC000006643979 132312295 /nfs/dbraw/zinc/31/22/95/132312295.db2.gz KAEOBMCHKQUGIW-FOCLMDBBSA-N 0 0 411.505 4.301 40 0 HIABRN C[C@H]1CCCCN1c1ccc(NC(=O)c2ncoc2-c2ccccc2F)cc1C(N)=O ZINC000012115148 132354251 /nfs/dbraw/zinc/35/42/51/132354251.db2.gz YZWDWDQTAKQRNA-AWEZNQCLSA-N 0 0 422.460 4.211 40 0 HIABRN CN(C(=O)c1ccco1)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 ZINC000012326073 132358780 /nfs/dbraw/zinc/35/87/80/132358780.db2.gz ATOVKODWGJOEIJ-UHFFFAOYSA-N 0 0 407.495 4.369 40 0 HIABRN Cc1ccc(C)c(O[C@@H](C)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000013710861 132458999 /nfs/dbraw/zinc/45/89/99/132458999.db2.gz LAGFAQBWLKAMFY-KRWDZBQOSA-N 0 0 406.448 4.438 40 0 HIABRN CC(C)c1nccn1[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)c(C(F)(F)F)c1 ZINC000019454323 132467386 /nfs/dbraw/zinc/46/73/86/132467386.db2.gz ZSTWVWRWACVYEI-AWEZNQCLSA-N 0 0 410.440 4.062 40 0 HIABRN CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H]4OC[C@@]5(CC[C@H](O)C[C@]45Br)[C@H]3CC[C@]12C ZINC000032067395 518219353 /nfs/dbraw/zinc/21/93/53/518219353.db2.gz VTKXNWSYXAOCHU-VLWKOFFBSA-N 0 0 411.380 4.102 40 0 HIABRN CC(C)C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccccc1 ZINC000044845808 519244809 /nfs/dbraw/zinc/24/48/09/519244809.db2.gz YVYVFTYVFLYWHI-RTBURBONSA-N 0 0 420.600 4.052 40 0 HIABRN CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)ccc1C ZINC000225416549 519894975 /nfs/dbraw/zinc/89/49/75/519894975.db2.gz FIHADEBFGHXJGK-QHCPKHFHSA-N 0 0 410.558 4.188 40 0 HIABRN CCCOc1c(Cl)cc(/C=C/C(=O)N[C@H]2CCC[C@@H]2n2ccnc2)cc1OC ZINC000032915551 520293146 /nfs/dbraw/zinc/29/31/46/520293146.db2.gz ZIMMXSJRGRBRQC-VUOWKATKSA-N 0 0 403.910 4.257 40 0 HIABRN CC1CCN(c2cc(N3CCCCCC3)nc(NC(=S)NC3CCCC3)n2)CC1 ZINC000226005886 521037053 /nfs/dbraw/zinc/03/70/53/521037053.db2.gz GQMJKFZAWHFSIP-UHFFFAOYSA-N 0 0 416.639 4.322 40 0 HIABRN CCOC(=O)c1ccc(C)c(NC(=S)NCc2ccc(OC)c(OCC)c2)c1 ZINC000225771077 521472089 /nfs/dbraw/zinc/47/20/89/521472089.db2.gz YUJUMVPYSQHPMK-UHFFFAOYSA-N 0 0 402.516 4.066 40 0 HIABRN CCSc1ccccc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000044841142 521775915 /nfs/dbraw/zinc/77/59/15/521775915.db2.gz SGXALHUWINURFE-UHFFFAOYSA-N 0 0 412.964 4.165 40 0 HIABRN CC[C@H](NC(=O)[C@H](CC)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000044844101 522508705 /nfs/dbraw/zinc/50/87/05/522508705.db2.gz IUAZIDKZHHPLEQ-PMACEKPBSA-N 0 0 422.978 4.461 40 0 HIABRN CC[C@H](NC(=S)Nc1cc(C(=O)OC)ccc1C)c1ccc(OC)c(OC)c1 ZINC000225719230 522557706 /nfs/dbraw/zinc/55/77/06/522557706.db2.gz CCOPMXIFVJVBNF-INIZCTEOSA-N 0 0 402.516 4.237 40 0 HIABRN CC[C@@H](NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000225715320 522805643 /nfs/dbraw/zinc/80/56/43/522805643.db2.gz QGXYPSJNHPXZLF-LJQANCHMSA-N 0 0 405.589 4.137 40 0 HIABRN CCc1cc(-c2cc(NCC3(c4ccc(C)cc4)CCOCC3)nc(C)n2)n(C)n1 ZINC000072373263 523735789 /nfs/dbraw/zinc/73/57/89/523735789.db2.gz QRBPRZZMZAZNPL-UHFFFAOYSA-N 0 0 405.546 4.217 40 0 HIABRN COc1ccc(CC(=O)N2CCC[C@H]2c2nc(N)ncc2-c2ccc(Cl)cc2)cc1 ZINC000072354805 523893314 /nfs/dbraw/zinc/89/33/14/523893314.db2.gz ZZHUUCVXIDJWCY-FQEVSTJZSA-N 0 0 422.916 4.294 40 0 HIABRN CNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)CC(C)C)CC1 ZINC000072345198 524047157 /nfs/dbraw/zinc/04/71/57/524047157.db2.gz OOHVSFMROFSRGX-UHFFFAOYSA-N 0 0 410.533 4.436 40 0 HIABRN COc1ccc(CNC(=S)Nc2nc(Cl)cc(Oc3ccccc3)n2)cc1 ZINC000225932997 524068401 /nfs/dbraw/zinc/06/84/01/524068401.db2.gz VGTYLSRCQYQZCK-UHFFFAOYSA-N 0 0 400.891 4.418 40 0 HIABRN Cc1ccc(C)c(N2CCN([C@@H](c3nnnn3C(C)C)c3ccccc3Cl)CC2)c1 ZINC000020140529 524127311 /nfs/dbraw/zinc/12/73/11/524127311.db2.gz UMQUKNRLQKJNQT-JOCHJYFZSA-N 0 0 424.980 4.436 40 0 HIABRN Cc1cccc(-n2cnc3nc(N4c5ccccc5C[C@H]4C)[nH]c(=O)c3c2=S)c1 ZINC000040385782 524143717 /nfs/dbraw/zinc/14/37/17/524143717.db2.gz LLAKKNZUUASORG-CQSZACIVSA-N 0 0 401.495 4.229 40 0 HIABRN COc1cccc([C@H]2c3cc4c(cc3O[C@@](C)(N3CCCC3)[C@H]2C)OCO4)c1OC ZINC000073334479 524190830 /nfs/dbraw/zinc/19/08/30/524190830.db2.gz QUAKHYXKSRPYCZ-BQNIGPCOSA-N 0 0 411.498 4.405 40 0 HIABRN Cc1cccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c1 ZINC000044886232 524427860 /nfs/dbraw/zinc/42/78/60/524427860.db2.gz NEBFJDJLUBRURV-UHFFFAOYSA-N 0 0 414.914 4.379 40 0 HIABRN C[C@H]1CCc2noc(C3CCN(C(=O)c4cc(-c5ccccc5F)n[nH]4)CC3)c2C1 ZINC000072392454 524444676 /nfs/dbraw/zinc/44/46/76/524444676.db2.gz DIDJNKXWRNOAOF-AWEZNQCLSA-N 0 0 408.477 4.348 40 0 HIABRN Cc1cccc(N2CCN([C@@H](c3nnnn3C(C)C)c3ccc(Cl)cc3)CC2)c1C ZINC000020140449 524560512 /nfs/dbraw/zinc/56/05/12/524560512.db2.gz FHPLZCSJHHHOOL-JOCHJYFZSA-N 0 0 424.980 4.436 40 0 HIABRN COc1ccc(NC(=O)c2sc3nc(C(F)(F)F)cc(C)c3c2N)c(OC)c1 ZINC000032117791 524661966 /nfs/dbraw/zinc/66/19/66/524661966.db2.gz YVFRGVVDOGMZEJ-UHFFFAOYSA-N 0 0 411.405 4.475 40 0 HIABRN Cc1ccc(N(CCCC(=O)N[C@H]2CCCc3ccccc32)S(C)(=O)=O)cc1C ZINC000020460924 524899589 /nfs/dbraw/zinc/89/95/89/524899589.db2.gz HDCUOJXMTJBRKS-QFIPXVFZSA-N 0 0 414.571 4.043 40 0 HIABRN Cc1ccc(N2C(SCc3ccc(F)cc3Cl)=N[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000032640432 524932360 /nfs/dbraw/zinc/93/23/60/524932360.db2.gz RPFJBAOEXIEJMC-MSOLQXFVSA-N 0 0 424.950 4.063 40 0 HIABRN Cc1ccc(N2C(SCc3ccc(Cl)cc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 ZINC000032639709 524932665 /nfs/dbraw/zinc/93/26/65/524932665.db2.gz YZQBRBSRHHDDFZ-MJGOQNOKSA-N 0 0 420.987 4.232 40 0 HIABRN Cc1ccc(N2C(SCc3ccccc3Cl)=N[C@@H]3CS(=O)(=O)C[C@H]32)cc1C 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558415998 /nfs/dbraw/zinc/41/59/98/558415998.db2.gz FQXRNZAVKJRNCP-LEWJYISDSA-N 0 0 423.488 4.337 40 0 HIABRN CCn1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c(=O)c2cc(C)ccc21 ZINC000022234691 558470100 /nfs/dbraw/zinc/47/01/00/558470100.db2.gz OVGGGFYDZKTPOD-UHFFFAOYSA-N 0 0 423.944 4.254 40 0 HIABRN Cc1ccc(C)c([C@@H](C)NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c1 ZINC000022330133 558479738 /nfs/dbraw/zinc/47/97/38/558479738.db2.gz RJANBNVTVBXGHA-GOSISDBHSA-N 0 0 402.560 4.070 40 0 HIABRN CS(=O)(=O)N(CC(=O)Nc1ccc(OC2CCCC2)cc1)c1cccc(Cl)c1 ZINC000022330874 558479903 /nfs/dbraw/zinc/47/99/03/558479903.db2.gz NPIUYALSWIYUKM-UHFFFAOYSA-N 0 0 422.934 4.066 40 0 HIABRN CC[C@@H](NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000022336814 558481458 /nfs/dbraw/zinc/48/14/58/558481458.db2.gz AMMACPYZJINLPT-LJQANCHMSA-N 0 0 422.978 4.299 40 0 HIABRN CCc1cccc(CC)c1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O ZINC000022390990 558485955 /nfs/dbraw/zinc/48/59/55/558485955.db2.gz RMEQETXXXSPQNJ-UHFFFAOYSA-N 0 0 402.560 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558496492 /nfs/dbraw/zinc/49/64/92/558496492.db2.gz CVKYXINYZLZSCF-INIZCTEOSA-N 0 0 415.342 4.027 40 0 HIABRN Cc1cc(C(=O)N2CCC[C@H]2c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)on1 ZINC000013225893 558526518 /nfs/dbraw/zinc/52/65/18/558526518.db2.gz LVZDJLKHGQBGTR-AWEZNQCLSA-N 0 0 407.396 4.145 40 0 HIABRN Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)Cc3ccccc3F)cc2n1 ZINC000013225596 558526529 /nfs/dbraw/zinc/52/65/29/558526529.db2.gz QYUMZNNGDQYCOI-MRXNPFEDSA-N 0 0 406.383 4.102 40 0 HIABRN Cc1cc(-c2cnn(CCNC(=O)c3cc(C(C)C)no3)c2-c2cccs2)on1 ZINC000013226747 558526605 /nfs/dbraw/zinc/52/66/05/558526605.db2.gz ZIYVBNDFWGAFNF-UHFFFAOYSA-N 0 0 411.487 4.116 40 0 HIABRN Cc1ccc(O[C@@H](C)C(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)cc1 ZINC000013227085 558526764 /nfs/dbraw/zinc/52/67/64/558526764.db2.gz ZNSYEVOCPKYVBV-HTAPYJJXSA-N 0 0 416.525 4.444 40 0 HIABRN COc1ccc(C(=O)NC2CCCCCCC2)cc1S(=O)(=O)N1CCCCCC1 ZINC000013581709 558544922 /nfs/dbraw/zinc/54/49/22/558544922.db2.gz BQLXXMDVGGHVBS-UHFFFAOYSA-N 0 0 422.591 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C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000013709386 558575372 /nfs/dbraw/zinc/57/53/72/558575372.db2.gz BVPJQXBMHVREIB-QGZVFWFLSA-N 0 0 424.522 4.030 40 0 HIABRN CC[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713189 558577181 /nfs/dbraw/zinc/57/71/81/558577181.db2.gz GYNQBPUDZVVEPU-QGZVFWFLSA-N 0 0 415.342 4.485 40 0 HIABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000024606022 558602606 /nfs/dbraw/zinc/60/26/06/558602606.db2.gz FGHUDPOLRUZGRB-UHFFFAOYSA-N 0 0 414.914 4.482 40 0 HIABRN Cc1ccccc1[C@H](C)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000014061077 558616015 /nfs/dbraw/zinc/61/60/15/558616015.db2.gz ZQMVZBJYIPHMQM-INIZCTEOSA-N 0 0 412.486 4.426 40 0 HIABRN O=C(COc1ccc(Br)cc1Cl)Nc1ccc(N2CCCC2=O)cc1 ZINC000014227539 558638959 /nfs/dbraw/zinc/63/89/59/558638959.db2.gz XSOVTMXUXFJINZ-UHFFFAOYSA-N 0 0 423.694 4.247 40 0 HIABRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(Cl)cc1C ZINC000014493135 558655410 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Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)N[C@@H](C)c3cnn(C)c3C)c12 ZINC000036616529 558730849 /nfs/dbraw/zinc/73/08/49/558730849.db2.gz DZLCJIORFNSJSS-AWEZNQCLSA-N 0 0 414.513 4.139 40 0 HIABRN CC(C)C[C@@H](NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccccc1 ZINC000030754547 558736707 /nfs/dbraw/zinc/73/67/07/558736707.db2.gz MGNNWMPRTWEULV-OXJNMPFZSA-N 0 0 422.978 4.398 40 0 HIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccccc3)c(Cl)c2)cc1 ZINC000030755103 558736867 /nfs/dbraw/zinc/73/68/67/558736867.db2.gz UHLNBSRICVMWKY-UHFFFAOYSA-N 0 0 414.914 4.379 40 0 HIABRN CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 ZINC000030756764 558737331 /nfs/dbraw/zinc/73/73/31/558737331.db2.gz FVPPOQOWSOGQLN-HSZRJFAPSA-N 0 0 422.550 4.300 40 0 HIABRN CC[C@@H]1CCCCN1C(=O)CCn1c2nn(C3CCCC3)cc2c(C(F)F)cc1=O ZINC000036621490 558741183 /nfs/dbraw/zinc/74/11/83/558741183.db2.gz YINYJEWLZRQSHU-OAHLLOKOSA-N 0 0 420.504 4.432 40 0 HIABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)c(Cl)c1 ZINC000030858149 558741240 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CCN(Cc1ccccc1)C(=O)c1cc2c(c3ccccc3n2C)n1C(=O)N(C)C ZINC000096146313 559097776 /nfs/dbraw/zinc/09/77/76/559097776.db2.gz CWNXUMSPGQJWQA-UHFFFAOYSA-N 0 0 402.498 4.325 40 0 HIABRN COCCn1c(C(=O)NCCc2cccnc2)cc2c1c1ccccc1n2C(C)C ZINC000096146349 559097862 /nfs/dbraw/zinc/09/78/62/559097862.db2.gz KYCBBXRBVUTTJI-UHFFFAOYSA-N 0 0 404.514 4.191 40 0 HIABRN O=C(NCCc1ccncc1)c1ccn(-c2ccc3ccc(-c4ccccc4)cn32)n1 ZINC000096155328 559099550 /nfs/dbraw/zinc/09/95/50/559099550.db2.gz CAJRSKCPVUPGRE-UHFFFAOYSA-N 0 0 407.477 4.160 40 0 HIABRN COc1cccc(-c2ccc3ccc(-n4ccc(C(=O)N5CCC[C@@H]5C)n4)n3c2)c1 ZINC000096155463 559099686 /nfs/dbraw/zinc/09/96/86/559099686.db2.gz RCISUNUHQNGTKE-KRWDZBQOSA-N 0 0 400.482 4.425 40 0 HIABRN CC(C)CNC(=O)c1ccc2c(c1)[C@H](c1ncn(C(C)C)n1)CN2Cc1ccccc1 ZINC000096156363 559100500 /nfs/dbraw/zinc/10/05/00/559100500.db2.gz FUYDYPVACHTJBH-JOCHJYFZSA-N 0 0 417.557 4.397 40 0 HIABRN O=C(c1cccc(C(F)(F)F)c1)N1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000096238756 559103531 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CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C(C)(C)C ZINC000222582239 568519217 /nfs/dbraw/zinc/51/92/17/568519217.db2.gz VBQXYTDPQXBDIX-MRXNPFEDSA-N 0 0 416.949 4.180 40 0 HIABRN CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(OC4CCCC4)cc3)ccc21 ZINC000222597380 568519840 /nfs/dbraw/zinc/51/98/40/568519840.db2.gz VBJNVXFEJNCIHE-UHFFFAOYSA-N 0 0 414.527 4.108 40 0 HIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1 ZINC000222605199 568520295 /nfs/dbraw/zinc/52/02/95/568520295.db2.gz IESIHNRNOAFJBB-FQEVSTJZSA-N 0 0 420.912 4.190 40 0 HIABRN CCc1ccc(OCC(=O)N(CCc2ccccc2)[C@@H](CC)C(=O)N[C@@H](C)CC)cc1 ZINC000222606324 568520440 /nfs/dbraw/zinc/52/04/40/568520440.db2.gz XKVJARFMJNJXGR-RDPSFJRHSA-N 0 0 424.585 4.392 40 0 HIABRN Cc1cccc(N2CCN(C(=O)c3cnc(-c4ccc(Cl)cc4)nc3)CC2)c1C ZINC000222608568 568520457 /nfs/dbraw/zinc/52/04/57/568520457.db2.gz VRFRQDRPEXFCMP-UHFFFAOYSA-N 0 0 406.917 4.376 40 0 HIABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl ZINC000222641774 568521907 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CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cc(C)ccc1C ZINC000222766071 568525899 /nfs/dbraw/zinc/52/58/99/568525899.db2.gz PYIOKTBZVHIOSM-HNNXBMFYSA-N 0 0 423.340 4.152 40 0 HIABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)cc(C)c1 ZINC000222777744 568526297 /nfs/dbraw/zinc/52/62/97/568526297.db2.gz SNLGBTOXNJHAID-HNNXBMFYSA-N 0 0 407.341 4.316 40 0 HIABRN Cc1ccc(CN(C(=O)COc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222781312 568526453 /nfs/dbraw/zinc/52/64/53/568526453.db2.gz PBDZNEDYEGCAAH-QGZVFWFLSA-N 0 0 416.949 4.359 40 0 HIABRN Cc1ccc(CSCCNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1 ZINC000222821100 568527399 /nfs/dbraw/zinc/52/73/99/568527399.db2.gz DENLEESZTOEQRR-JWGURIENSA-N 0 0 420.534 4.409 40 0 HIABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1F ZINC000222823671 568527539 /nfs/dbraw/zinc/52/75/39/568527539.db2.gz LJMHIZGNCWKVHT-HNNXBMFYSA-N 0 0 404.913 4.354 40 0 HIABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(N(C)C)cc1 ZINC000222839927 568527952 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CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@@H](CC)c1ccc(S(C)(=O)=O)cc1 ZINC000223001697 568534024 /nfs/dbraw/zinc/53/40/24/568534024.db2.gz FHMKLTJXAUBYHS-LEWJYISDSA-N 0 0 403.544 4.132 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223012201 568534245 /nfs/dbraw/zinc/53/42/45/568534245.db2.gz ZGCCUFIWMSMQFH-LJQANCHMSA-N 0 0 407.341 4.398 40 0 HIABRN COc1cccc(CN(C(=O)CSc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223025711 568534642 /nfs/dbraw/zinc/53/46/42/568534642.db2.gz HZXLNFQOBZPGPT-KRWDZBQOSA-N 0 0 414.571 4.119 40 0 HIABRN CCOc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCOC)o2)cc1 ZINC000223026967 568534656 /nfs/dbraw/zinc/53/46/56/568534656.db2.gz OSNDXNGDGFOYSC-FGZHOGPDSA-N 0 0 423.538 4.359 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1 ZINC000223027751 568534809 /nfs/dbraw/zinc/53/48/09/568534809.db2.gz AKYNCEQOMNSBPN-OAQYLSRUSA-N 0 0 410.558 4.324 40 0 HIABRN CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000223037013 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417.513 4.250 40 0 HIABRN CC[C@H](NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1)c1ccc2c(c1)CCCC2 ZINC000223067823 568536429 /nfs/dbraw/zinc/53/64/29/568536429.db2.gz DQYCEHRNIVOHSE-FQEVSTJZSA-N 0 0 400.544 4.126 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccccc1 ZINC000223077263 568536606 /nfs/dbraw/zinc/53/66/06/568536606.db2.gz SAMAZYAVFUEDCW-NRFANRHFSA-N 0 0 410.558 4.488 40 0 HIABRN COc1cc(C)c(S(=O)(=O)NCCSCc2c(F)cccc2Cl)cc1C ZINC000223076746 568536619 /nfs/dbraw/zinc/53/66/19/568536619.db2.gz HRODTUAACNCSIR-UHFFFAOYSA-N 0 0 417.955 4.316 40 0 HIABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1 ZINC000223082742 568536876 /nfs/dbraw/zinc/53/68/76/568536876.db2.gz PPXWMLSZOVNMDJ-RBUKOAKNSA-N 0 0 424.541 4.433 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(CC)cc1 ZINC000223081788 568536889 /nfs/dbraw/zinc/53/68/89/568536889.db2.gz VIBBLBMTMINRHE-FQEVSTJZSA-N 0 0 410.558 4.270 40 0 HIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(Cl)cc1 ZINC000223085195 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CSc1ncc(-c2nnsc2C(=O)OCc2ccc(Cl)c(Cl)c2)cn1 ZINC000223856607 568561072 /nfs/dbraw/zinc/56/10/72/568561072.db2.gz WHAPGZYFIBRIMB-UHFFFAOYSA-N 0 0 413.311 4.381 40 0 HIABRN Cc1ccc(C)c(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223894720 568562369 /nfs/dbraw/zinc/56/23/69/568562369.db2.gz OLQVAAKGQWMUKW-IBGZPJMESA-N 0 0 410.533 4.461 40 0 HIABRN CCCC[C@@H](CC)CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000223899687 568562509 /nfs/dbraw/zinc/56/25/09/568562509.db2.gz NPZHBKYPRTVSPY-GOSISDBHSA-N 0 0 420.550 4.354 40 0 HIABRN CCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)cc1 ZINC000223940983 568563880 /nfs/dbraw/zinc/56/38/80/568563880.db2.gz XJLSTTNHDZMBJJ-UHFFFAOYSA-N 0 0 424.522 4.125 40 0 HIABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCC3CCCCC3)ccc2C)cc1 ZINC000223945165 568564054 /nfs/dbraw/zinc/56/40/54/568564054.db2.gz HYELNZCTPGBYRR-UHFFFAOYSA-N 0 0 400.544 4.414 40 0 HIABRN Cc1cccc(CCCNC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)c1 ZINC000223949213 568564154 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CCCC[C@H](CC)CNC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000224014415 568566406 /nfs/dbraw/zinc/56/64/06/568566406.db2.gz ZPPQBNMLRBDLRM-KGLIPLIRSA-N 0 0 423.406 4.481 40 0 HIABRN CC1CCN(c2ccc(NC(=S)NCC3(c4ccccc4)CCOCC3)cn2)CC1 ZINC000224012945 568566424 /nfs/dbraw/zinc/56/64/24/568566424.db2.gz QJNGRWPCCVMDAP-UHFFFAOYSA-N 0 0 424.614 4.353 40 0 HIABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1 ZINC000224017172 568566530 /nfs/dbraw/zinc/56/65/30/568566530.db2.gz OJOIGFVMCIVXNO-MRXNPFEDSA-N 0 0 402.922 4.051 40 0 HIABRN Cc1ccccc1CNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224029610 568566953 /nfs/dbraw/zinc/56/69/53/568566953.db2.gz DKQUTOIGDJBAOR-UHFFFAOYSA-N 0 0 414.914 4.379 40 0 HIABRN COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(C)c3C)c2)cc1 ZINC000224038142 568567284 /nfs/dbraw/zinc/56/72/84/568567284.db2.gz SUVXFORQOVEWMZ-UHFFFAOYSA-N 0 0 410.495 4.365 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000224049258 568567698 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Cc1ccccc1[C@@H](NC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1)C(C)C ZINC000224401544 568580313 /nfs/dbraw/zinc/58/03/13/568580313.db2.gz CIGNYFXFFHWOES-QFIPXVFZSA-N 0 0 414.571 4.361 40 0 HIABRN Cc1cccc(C)c1NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1 ZINC000224405177 568580317 /nfs/dbraw/zinc/58/03/17/568580317.db2.gz LHGJRMMVGYIZPX-UHFFFAOYSA-N 0 0 408.523 4.376 40 0 HIABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1F ZINC000224407853 568580431 /nfs/dbraw/zinc/58/04/31/568580431.db2.gz DCQGSJBSIXKEBC-JOCHJYFZSA-N 0 0 414.496 4.374 40 0 HIABRN C[C@@H]1CCCN(C(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)C1 ZINC000224434691 568581209 /nfs/dbraw/zinc/58/12/09/568581209.db2.gz XRAJOUCFNLJOSF-MRXNPFEDSA-N 0 0 420.962 4.033 40 0 HIABRN CCN(Cc1ccc(C(=O)Nc2ccc(C)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000224443320 568581416 /nfs/dbraw/zinc/58/14/16/568581416.db2.gz ZETOMCBSKZJWCK-UHFFFAOYSA-N 0 0 408.523 4.458 40 0 HIABRN CCN(Cc1ccc(C(=O)NCc2ccccc2C)cc1)S(=O)(=O)c1ccccc1 ZINC000224445211 568581540 /nfs/dbraw/zinc/58/15/40/568581540.db2.gz QLDHIMKOKBRLSF-UHFFFAOYSA-N 0 0 422.550 4.136 40 0 HIABRN CCN(Cc1ccc(C(=O)N(C)c2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000224449523 568581551 /nfs/dbraw/zinc/58/15/51/568581551.db2.gz FJPSDNMKNFEMTI-UHFFFAOYSA-N 0 0 408.523 4.174 40 0 HIABRN CCN(Cc1ccc(C(=O)NC2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224459944 568581845 /nfs/dbraw/zinc/58/18/45/568581845.db2.gz BLRUMOZTOLBOMB-UHFFFAOYSA-N 0 0 420.962 4.223 40 0 HIABRN CCN(Cc1ccc(C(=O)N(C)c2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000224457975 568581868 /nfs/dbraw/zinc/58/18/68/568581868.db2.gz JZFRXWNNDTXGBM-UHFFFAOYSA-N 0 0 422.550 4.482 40 0 HIABRN CC[C@@H](C)NC(=O)c1ccc(CN(CC)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000224459584 568581884 /nfs/dbraw/zinc/58/18/84/568581884.db2.gz ZRMHIJIENBIAQB-OAHLLOKOSA-N 0 0 408.951 4.079 40 0 HIABRN CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1cccc(Cl)c1 ZINC000224515505 568583248 /nfs/dbraw/zinc/58/32/48/568583248.db2.gz DFIBLQAWRYZVAK-SFHVURJKSA-N 0 0 400.950 4.115 40 0 HIABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCSc1ccccc1 ZINC000224518251 568583508 /nfs/dbraw/zinc/58/35/08/568583508.db2.gz TVXJBUOQWIJBBU-OAQYLSRUSA-N 0 0 414.571 4.121 40 0 HIABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C)cc3)cc2)cc1 ZINC000224570120 568585846 /nfs/dbraw/zinc/58/58/46/568585846.db2.gz BWMBCFPOKQIAQZ-UHFFFAOYSA-N 0 0 410.495 4.122 40 0 HIABRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C)cc3C)cc2)cc1 ZINC000224575772 568585972 /nfs/dbraw/zinc/58/59/72/568585972.db2.gz MOVFTFCQIHLNPE-UHFFFAOYSA-N 0 0 424.522 4.430 40 0 HIABRN Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 ZINC000224592146 568586707 /nfs/dbraw/zinc/58/67/07/568586707.db2.gz YIRNABBUHXVXAJ-FGZHOGPDSA-N 0 0 413.506 4.150 40 0 HIABRN CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CSCc1ccccc1C ZINC000224595309 568586960 /nfs/dbraw/zinc/58/69/60/568586960.db2.gz JNYBCRYRKKAOEN-QFIPXVFZSA-N 0 0 412.599 4.214 40 0 HIABRN CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1ccc(OC)cc1 ZINC000224634021 568589806 /nfs/dbraw/zinc/58/98/06/568589806.db2.gz GPBFYYDYDRWIIT-DEOSSOPVSA-N 0 0 422.569 4.146 40 0 HIABRN CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)COc1cccc(C)c1 ZINC000224639399 568589932 /nfs/dbraw/zinc/58/99/32/568589932.db2.gz KEDWOPCHFTZOCD-XMMPIXPASA-N 0 0 422.569 4.283 40 0 HIABRN Cc1cccc(OCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)C)c1C ZINC000224642774 568590259 /nfs/dbraw/zinc/59/02/59/568590259.db2.gz UYPJBLWSRJXKMI-SFHVURJKSA-N 0 0 416.949 4.278 40 0 HIABRN CC(C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccccc1 ZINC000224645530 568590339 /nfs/dbraw/zinc/59/03/39/568590339.db2.gz RLKFEQLBARMZNO-KRWDZBQOSA-N 0 0 402.535 4.001 40 0 HIABRN COc1ccc(OC)c([C@@H](C)NS(=O)(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000224692469 568592323 /nfs/dbraw/zinc/59/23/23/568592323.db2.gz VGHKDPWJQFPLTP-LLVKDONJSA-N 0 0 404.315 4.191 40 0 HIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1cccc2ccccc21 ZINC000224694443 568592413 /nfs/dbraw/zinc/59/24/13/568592413.db2.gz VONOZTAMSPVFIX-FQEVSTJZSA-N 0 0 418.537 4.471 40 0 HIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000224704021 568593073 /nfs/dbraw/zinc/59/30/73/568593073.db2.gz DJKDBQMHVPGSAD-NRFANRHFSA-N 0 0 400.950 4.462 40 0 HIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1c(F)cccc1Cl ZINC000224703696 568593083 /nfs/dbraw/zinc/59/30/83/568593083.db2.gz FRAYYJKVRQWTCT-MRXNPFEDSA-N 0 0 404.913 4.274 40 0 HIABRN Cc1cccc(CN(C(=O)COc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)c1 ZINC000224704722 568593122 /nfs/dbraw/zinc/59/31/22/568593122.db2.gz LHDLDCMDOWKTPL-HXUWFJFHSA-N 0 0 408.542 4.240 40 0 HIABRN CCN(c1ccc(I)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224705650 568593148 /nfs/dbraw/zinc/59/31/48/568593148.db2.gz OJERAVZNWUPFQV-UHFFFAOYSA-N 0 0 421.687 4.160 40 0 HIABRN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(OC(C)C)cc2)cc1 ZINC000224737483 568594285 /nfs/dbraw/zinc/59/42/85/568594285.db2.gz MRTLEXMZUAFILP-HAHDFKILSA-N 0 0 418.493 4.463 40 0 HIABRN CCOc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1COCC(C)C ZINC000224740827 568594504 /nfs/dbraw/zinc/59/45/04/568594504.db2.gz HBBFPXJNOUZITP-UHFFFAOYSA-N 0 0 414.521 4.359 40 0 HIABRN C[C@H](NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)c1ccccc1)c1ccccc1 ZINC000028206784 568594671 /nfs/dbraw/zinc/59/46/71/568594671.db2.gz OORXTPVWSNCPKY-MSOLQXFVSA-N 0 0 420.534 4.318 40 0 HIABRN Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)c1ccccc1 ZINC000028206819 568594761 /nfs/dbraw/zinc/59/47/61/568594761.db2.gz LPDVVJJRUOMCGV-QGZVFWFLSA-N 0 0 406.507 4.387 40 0 HIABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cccc2ccccc21 ZINC000224767088 568595839 /nfs/dbraw/zinc/59/58/39/568595839.db2.gz IQPVQQKLRCQLTE-HXUWFJFHSA-N 0 0 418.537 4.471 40 0 HIABRN COc1ccc(C(=O)Nc2ccc(C)cc2)cc1CN(C)S(=O)(=O)c1ccccc1 ZINC000224767252 568595848 /nfs/dbraw/zinc/59/58/48/568595848.db2.gz CYCAYRSBHYMEGS-UHFFFAOYSA-N 0 0 424.522 4.077 40 0 HIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccccc1 ZINC000224800546 568597422 /nfs/dbraw/zinc/59/74/22/568597422.db2.gz SBLGDSFWNDILKH-GOSISDBHSA-N 0 0 416.949 4.443 40 0 HIABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 ZINC000224813312 568598352 /nfs/dbraw/zinc/59/83/52/568598352.db2.gz FNKHELUKPVBZJN-MRXNPFEDSA-N 0 0 404.963 4.376 40 0 HIABRN CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(OC)cc1OC ZINC000224822773 568598713 /nfs/dbraw/zinc/59/87/13/568598713.db2.gz UWPSZEKTTWGFFN-RTWAWAEBSA-N 0 0 408.527 4.097 40 0 HIABRN CCc1cccc(CC)c1N(CCCC(=O)NCC1CCCCC1)S(C)(=O)=O ZINC000224828734 568598880 /nfs/dbraw/zinc/59/88/80/568598880.db2.gz ZPHUYLJGZNHUSL-UHFFFAOYSA-N 0 0 408.608 4.054 40 0 HIABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1 ZINC000224848230 568600215 /nfs/dbraw/zinc/60/02/15/568600215.db2.gz SVVFYFCBKBYBSX-QGZVFWFLSA-N 0 0 402.535 4.002 40 0 HIABRN COc1ccc(-c2cnc(CCC(=O)NCc3ccc(Cl)cc3)o2)c(OC)c1 ZINC000224865513 568601053 /nfs/dbraw/zinc/60/10/53/568601053.db2.gz KJPYOTBLGHDMRI-UHFFFAOYSA-N 0 0 400.862 4.261 40 0 HIABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(F)cc1 ZINC000224873615 568601575 /nfs/dbraw/zinc/60/15/75/568601575.db2.gz BHIGQIBPYWDBHP-MRXNPFEDSA-N 0 0 420.525 4.142 40 0 HIABRN CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000224876593 568601764 /nfs/dbraw/zinc/60/17/64/568601764.db2.gz RJZZQVLVNGGTIC-UHFFFAOYSA-N 0 0 404.713 4.326 40 0 HIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)ccc1C ZINC000224904081 568603213 /nfs/dbraw/zinc/60/32/13/568603213.db2.gz OIWJYYPKAJNIQZ-DEOSSOPVSA-N 0 0 424.585 4.434 40 0 HIABRN CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000224943464 568605091 /nfs/dbraw/zinc/60/50/91/568605091.db2.gz LSKKOBHEIDUVSA-UHFFFAOYSA-N 0 0 402.299 4.385 40 0 HIABRN O=C(c1ccccc1-c1ncc(-c2cccc(Br)c2)o1)N1CCOCC1 ZINC000224954531 568605657 /nfs/dbraw/zinc/60/56/57/568605657.db2.gz ONHURRFKVOWJNW-UHFFFAOYSA-N 0 0 413.271 4.244 40 0 HIABRN CCOC(=O)c1cccc(NC(=O)c2cccc(I)c2)c1C ZINC000224965048 568606384 /nfs/dbraw/zinc/60/63/84/568606384.db2.gz MEFDWUIBCYZMMB-UHFFFAOYSA-N 0 0 409.223 4.029 40 0 HIABRN CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2ccc(OC)c(Cl)c2)c1C ZINC000224968474 568606649 /nfs/dbraw/zinc/60/66/49/568606649.db2.gz GQWHYLURKGVGER-UHFFFAOYSA-N 0 0 411.907 4.049 40 0 HIABRN CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)COc1ccc(C)cc1C ZINC000224971963 568606860 /nfs/dbraw/zinc/60/68/60/568606860.db2.gz DYZMXVRDFSKNHG-HSZRJFAPSA-N 0 0 424.585 4.304 40 0 HIABRN COc1ccc(CN(C(=O)Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224978205 568607077 /nfs/dbraw/zinc/60/70/77/568607077.db2.gz MUPMPTWUDYIZFA-HXUWFJFHSA-N 0 0 422.569 4.412 40 0 HIABRN Cc1cccc(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000225003805 568608382 /nfs/dbraw/zinc/60/83/82/568608382.db2.gz VWPAXHXCXKSNTB-NRFANRHFSA-N 0 0 406.570 4.446 40 0 HIABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)nc1 ZINC000225008245 568608764 /nfs/dbraw/zinc/60/87/64/568608764.db2.gz SKZFARQJDHINEG-FGZHOGPDSA-N 0 0 403.555 4.491 40 0 HIABRN Cc1ccc(OCCNC(=O)c2ccc(C)cc2I)c(C)c1 ZINC000225030235 568610113 /nfs/dbraw/zinc/61/01/13/568610113.db2.gz XGRXLSZLOCTCLK-UHFFFAOYSA-N 0 0 409.267 4.025 40 0 HIABRN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(CN2CCCC2=O)cc1 ZINC000225050756 568611197 /nfs/dbraw/zinc/61/11/97/568611197.db2.gz LDLCKTKIZHNBME-UHFFFAOYSA-N 0 0 412.902 4.233 40 0 HIABRN CCOc1ccc(CCCNC(=O)c2ccc(OCC)c(OCC)c2)cc1OC ZINC000225063795 568611894 /nfs/dbraw/zinc/61/18/94/568611894.db2.gz DWMLCAKPLKIGGV-UHFFFAOYSA-N 0 0 401.503 4.254 40 0 HIABRN CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1ccccc1F ZINC000225069010 568612369 /nfs/dbraw/zinc/61/23/69/568612369.db2.gz QVBMRTVLKWYAJV-GOSISDBHSA-N 0 0 416.562 4.045 40 0 HIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)c(C)c1 ZINC000225076295 568612672 /nfs/dbraw/zinc/61/26/72/568612672.db2.gz OZCBPHPGZJYRSD-LEWJYISDSA-N 0 0 410.558 4.323 40 0 HIABRN COc1ccccc1N1CCN(C(=O)CSCc2ccc(Cl)cc2F)CC1 ZINC000225080239 568612851 /nfs/dbraw/zinc/61/28/51/568612851.db2.gz ABSGYZOYQWYGIM-UHFFFAOYSA-N 0 0 408.926 4.070 40 0 HIABRN Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCCOc1ccc(Cl)cc1 ZINC000225114128 568615188 /nfs/dbraw/zinc/61/51/88/568615188.db2.gz FJBORVHXCIAZNM-QNGOZBTKSA-N 0 0 424.884 4.208 40 0 HIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccccc1 ZINC000225115819 568615383 /nfs/dbraw/zinc/61/53/83/568615383.db2.gz ZFNUKARKKKLZJU-SFTDATJTSA-N 0 0 410.558 4.486 40 0 HIABRN CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1 ZINC000225122817 568615735 /nfs/dbraw/zinc/61/57/35/568615735.db2.gz FTEVUCMJKWXRFI-HSZRJFAPSA-N 0 0 410.558 4.324 40 0 HIABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCOc2cccc(C)c2)cc1 ZINC000225126137 568615950 /nfs/dbraw/zinc/61/59/50/568615950.db2.gz DJHZWXUIHJOHNZ-JWGURIENSA-N 0 0 420.534 4.331 40 0 HIABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C ZINC000225153896 568618484 /nfs/dbraw/zinc/61/84/84/568618484.db2.gz YIJQOEHNTOEZTJ-SFHVURJKSA-N 0 0 400.500 4.449 40 0 HIABRN CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1Cl ZINC000225154490 568618503 /nfs/dbraw/zinc/61/85/03/568618503.db2.gz DFZNRNHNXUDURE-HXUWFJFHSA-N 0 0 416.949 4.361 40 0 HIABRN Cc1ccc(OCCNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)c(C)c1 ZINC000225171789 568620365 /nfs/dbraw/zinc/62/03/65/568620365.db2.gz LNVHJNJYFSOHMU-PGMHBOJBSA-N 0 0 420.534 4.331 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(C)cc1C ZINC000225199048 568622201 /nfs/dbraw/zinc/62/22/01/568622201.db2.gz NEKIIRWOFFHIFP-LJQANCHMSA-N 0 0 414.521 4.155 40 0 HIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc(C)c1 ZINC000225205296 568622693 /nfs/dbraw/zinc/62/26/93/568622693.db2.gz INWKUWJYQCMAEE-ZWKOTPCHSA-N 0 0 416.949 4.359 40 0 HIABRN COc1ccc(CCNC(=S)Nc2nc(C)cc(Nc3ccc(F)cc3)n2)cc1 ZINC000225204210 568622764 /nfs/dbraw/zinc/62/27/64/568622764.db2.gz XXWDNIJUKZOMAT-UHFFFAOYSA-N 0 0 411.506 4.205 40 0 HIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F ZINC000225208918 568623255 /nfs/dbraw/zinc/62/32/55/568623255.db2.gz VYFFIVCGFUTSSK-CVEARBPZSA-N 0 0 404.913 4.354 40 0 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/nfs/dbraw/zinc/33/88/77/558338877.db2.gz HBRALKCVRXIEFB-UHFFFAOYSA-N 0 0 402.244 4.462 40 0 HIABRN C[C@@H]1C[C@H]1C(=O)N1CCC(c2cc3nc(C(C)(C)C)cc(C(F)(F)F)n3n2)CC1 ZINC000012160371 558341803 /nfs/dbraw/zinc/34/18/03/558341803.db2.gz NOALOSKWFGMMOQ-TZMCWYRMSA-N 0 0 408.468 4.408 40 0 HIABRN Nc1cc(NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)ccc1N1CCOCC1 ZINC000020154164 558342175 /nfs/dbraw/zinc/34/21/75/558342175.db2.gz UQKADSVYGHDOPQ-JXMROGBWSA-N 0 0 407.445 4.156 40 0 HIABRN CCOC(=O)c1cc(Cl)cnc1C1CCN(C(=O)c2ccc(OC)s2)CC1 ZINC000012186650 558346034 /nfs/dbraw/zinc/34/60/34/558346034.db2.gz YORSTVMQQGENDC-UHFFFAOYSA-N 0 0 408.907 4.002 40 0 HIABRN COc1ccc(OC)c(CN(Cc2ccc(N3CCCC3=O)cc2)C[C@H]2CCCO2)c1 ZINC000012187516 558346572 /nfs/dbraw/zinc/34/65/72/558346572.db2.gz ZMIVTPOOLBXDLV-HSZRJFAPSA-N 0 0 424.541 4.012 40 0 HIABRN CN(C)c1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)C[C@H]3C=CCC3)cc2)n1 ZINC000012222391 558356386 /nfs/dbraw/zinc/35/63/86/558356386.db2.gz YIAIIOJIEUFEFZ-SFHVURJKSA-N 0 0 413.525 4.244 40 0 HIABRN COc1cccc(CC(=O)NCCCn2c(-c3cccnc3C)cc3cccnc32)c1 ZINC000012222814 558356519 /nfs/dbraw/zinc/35/65/19/558356519.db2.gz HPOYPVCAQBWUHA-UHFFFAOYSA-N 0 0 414.509 4.164 40 0 HIABRN Cc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@@H](C)c4ccccc4)C3)cc2n1 ZINC000012257964 558363096 /nfs/dbraw/zinc/36/30/96/558363096.db2.gz ACXLOVNPOZLFFH-GOEBONIOSA-N 0 0 402.420 4.176 40 0 HIABRN CCc1noc(CC)c1C(=O)N[C@@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21 ZINC000012276290 558364213 /nfs/dbraw/zinc/36/42/13/558364213.db2.gz HUFOQTCWAJPOMR-GOSISDBHSA-N 0 0 405.502 4.095 40 0 HIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2Cl)cc1 ZINC000020451779 558366027 /nfs/dbraw/zinc/36/60/27/558366027.db2.gz YGMOIYQCCCWXMJ-UHFFFAOYSA-N 0 0 406.935 4.465 40 0 HIABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000020454378 558368242 /nfs/dbraw/zinc/36/82/42/558368242.db2.gz XOPWRSIGDSGKHI-SIKLNZKXSA-N 0 0 410.514 4.008 40 0 HIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)cc2Cl)cc1 ZINC000020488858 558377145 /nfs/dbraw/zinc/37/71/45/558377145.db2.gz BYLKPMZHJRRSTD-MDOVXXIYSA-N 0 0 418.946 4.368 40 0 HIABRN Cc1ccc(-c2ccccc2CC2(C(=O)N3CCC[C@H](O)C3)CCOCC2)c(C)c1 ZINC000012366597 558388549 /nfs/dbraw/zinc/38/85/49/558388549.db2.gz FEJSGCYHWXXCPF-QFIPXVFZSA-N 0 0 407.554 4.293 40 0 HIABRN CCCc1nnc2sc(-c3cccc(NC(=O)c4ccc(OC)c(OC)c4)c3)nn12 ZINC000020609639 558389484 /nfs/dbraw/zinc/38/94/84/558389484.db2.gz HUPRKBFXWVASEG-UHFFFAOYSA-N 0 0 423.498 4.075 40 0 HIABRN Cc1nnc2sc(-c3cccc(NC(=O)c4cccc(Br)c4)c3)nn12 ZINC000020609579 558389525 /nfs/dbraw/zinc/38/95/25/558389525.db2.gz UPCHTLCOIHARNM-UHFFFAOYSA-N 0 0 414.288 4.176 40 0 HIABRN CCCc1nnc2sc(-c3cccc(NC(=O)/C=C/c4ccc(OC)cc4)c3)nn12 ZINC000020609685 558389810 /nfs/dbraw/zinc/38/98/10/558389810.db2.gz RYDBGIBLKPFJAS-JLHYYAGUSA-N 0 0 419.510 4.466 40 0 HIABRN CCCc1nnc2sc(-c3ccc(NC(=O)c4ccc(OC)c(OC)c4)cc3)nn12 ZINC000020609778 558389822 /nfs/dbraw/zinc/38/98/22/558389822.db2.gz KZVJBTLIRIUZRR-UHFFFAOYSA-N 0 0 423.498 4.075 40 0 HIABRN CCOc1ccc(-n2nc3ccc(NC(=O)COc4ccc(C)cc4)cc3n2)cc1 ZINC000020610311 558390482 /nfs/dbraw/zinc/39/04/82/558390482.db2.gz NLLRSZUQUZSMCY-UHFFFAOYSA-N 0 0 402.454 4.145 40 0 HIABRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cncc(Br)c1 ZINC000020610937 558391037 /nfs/dbraw/zinc/39/10/37/558391037.db2.gz MIVABNXYWWCKOS-UHFFFAOYSA-N 0 0 408.259 4.139 40 0 HIABRN CCc1nn2c(nnc(C(=O)Nc3ccc(CC)cc3)c2C)c1-c1ccc(OC)cc1 ZINC000020672929 558398822 /nfs/dbraw/zinc/39/88/22/558398822.db2.gz BBDAKSZQXJTQFX-UHFFFAOYSA-N 0 0 415.497 4.485 40 0 HIABRN CCCCN1c2nc3ccccc3n2[C@H](c2sccc2C)[C@H](C(=O)OCC)C1=O ZINC000020675465 558399702 /nfs/dbraw/zinc/39/97/02/558399702.db2.gz LMTPCQPPPCIYRF-ROUUACIJSA-N 0 0 411.527 4.322 40 0 HIABRN Cc1ccc([C@H](C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]([NH3+])CC(=O)[O-])cc1 ZINC000021301782 558435177 /nfs/dbraw/zinc/43/51/77/558435177.db2.gz UIDMGKSGXLYTID-NOZRDPDXSA-N 0 0 415.489 4.236 40 0 HIABRN Cc1ccc([C@@H](C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]([NH3+])CC(=O)[O-])cc1 ZINC000021301788 558435181 /nfs/dbraw/zinc/43/51/81/558435181.db2.gz UIDMGKSGXLYTID-ILBGXUMGSA-N 0 0 415.489 4.236 40 0 HIABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4ccccc4c3)C2)cc1 ZINC000022258687 558474864 /nfs/dbraw/zinc/47/48/64/558474864.db2.gz MYVZZHWGNPRTBB-HXUWFJFHSA-N 0 0 408.523 4.188 40 0 HIABRN CC[C@H](NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000022337832 558481928 /nfs/dbraw/zinc/48/19/28/558481928.db2.gz RGTNTEKVKIPMDY-FQEVSTJZSA-N 0 0 422.978 4.299 40 0 HIABRN Cc1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)cc1C ZINC000022379639 558484563 /nfs/dbraw/zinc/48/45/63/558484563.db2.gz MRSWWXYIWVEJQQ-UHFFFAOYSA-N 0 0 418.515 4.338 40 0 HIABRN Cc1cc(C)c(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)c(C)c1 ZINC000022382176 558484855 /nfs/dbraw/zinc/48/48/55/558484855.db2.gz MQALRGGTAPYWHN-UHFFFAOYSA-N 0 0 414.449 4.035 40 0 HIABRN CC[C@H](C(=O)N[C@@H]1CCCc2ccccc21)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000022526855 558495861 /nfs/dbraw/zinc/49/58/61/558495861.db2.gz MUNSEDAOCDWONM-WOJBJXKFSA-N 0 0 420.962 4.078 40 0 HIABRN Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c(C)c1 ZINC000022536045 558498008 /nfs/dbraw/zinc/49/80/08/558498008.db2.gz NCGQBRDBACBILS-FQEVSTJZSA-N 0 0 416.587 4.035 40 0 HIABRN CCCNS(=O)(=O)c1ccc(CCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 ZINC000022537704 558498513 /nfs/dbraw/zinc/49/85/13/558498513.db2.gz SAZVOAWOHWZBDS-LJQANCHMSA-N 0 0 416.587 4.110 40 0 HIABRN COc1ccc(-c2c(C)nn3c2nnc2c3ccn(-c3cccc(Cl)c3)c2=O)cc1 ZINC000022610749 558501809 /nfs/dbraw/zinc/50/18/09/558501809.db2.gz HMVNTHFQIUXVQQ-UHFFFAOYSA-N 0 0 417.856 4.066 40 0 HIABRN COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1S(=O)(=O)N1CCCCCC1 ZINC000013581566 558544989 /nfs/dbraw/zinc/54/49/89/558544989.db2.gz RWWPPWOJXGSKEZ-UHFFFAOYSA-N 0 0 422.934 4.166 40 0 HIABRN CCCNC(=O)N1CCc2c3ccccc3[nH]c2[C@@]12c1ccccc1N(C(C)C)C2=O ZINC000013635349 558553812 /nfs/dbraw/zinc/55/38/12/558553812.db2.gz XTEPTVMYSASZII-RUZDIDTESA-N 0 0 416.525 4.144 40 0 HIABRN O=C(NC1CCCCC1)N1CCc2c3ccccc3[nH]c2[C@@]12C(=O)Nc1ccccc12 ZINC000013635361 558553872 /nfs/dbraw/zinc/55/38/72/558553872.db2.gz OIYFJVYQRORRLH-VWLOTQADSA-N 0 0 414.509 4.264 40 0 HIABRN COCc1nn2c(ncc3c2CC(C)(C)CC3=O)c1-c1ccc(Br)cc1 ZINC000013638391 558555089 /nfs/dbraw/zinc/55/50/89/558555089.db2.gz CONFGAQBSNBZFA-UHFFFAOYSA-N 0 0 414.303 4.460 40 0 HIABRN CC(C)c1ccc(-c2noc(CCC(=O)N3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000023392155 558556396 /nfs/dbraw/zinc/55/63/96/558556396.db2.gz AJWMBTNNFQMOPD-UHFFFAOYSA-N 0 0 418.541 4.137 40 0 HIABRN CS(=O)(=O)N(Cc1ccc(C(=O)N2CCCCCC2)cc1)c1cccc(Cl)c1 ZINC000013679938 558565973 /nfs/dbraw/zinc/56/59/73/558565973.db2.gz IWYMBYXGPOZCIL-UHFFFAOYSA-N 0 0 420.962 4.322 40 0 HIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCc4ccccc4C3)cc2C)cc1 ZINC000013680735 558566343 /nfs/dbraw/zinc/56/63/43/558566343.db2.gz OYOFIIMZXXADRP-UHFFFAOYSA-N 0 0 420.534 4.303 40 0 HIABRN COCCCNC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000013684656 558568650 /nfs/dbraw/zinc/56/86/50/558568650.db2.gz GCTWMRJSUQMNFD-UHFFFAOYSA-N 0 0 418.493 4.284 40 0 HIABRN C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000013685530 558569295 /nfs/dbraw/zinc/56/92/95/558569295.db2.gz MTBLWBSBWLQSOG-HKUYNNGSSA-N 0 0 418.493 4.155 40 0 HIABRN CC[C@@H](C(=O)Nc1ccc(Cl)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013711982 558576443 /nfs/dbraw/zinc/57/64/43/558576443.db2.gz DYKXBBWEWKMFRH-INIZCTEOSA-N 0 0 401.315 4.177 40 0 HIABRN CC[C@@H](C(=O)Nc1ccc2ccccc2c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715223 558578738 /nfs/dbraw/zinc/57/87/38/558578738.db2.gz XWTWMKJKVDLGGL-FQEVSTJZSA-N 0 0 400.475 4.162 40 0 HIABRN COCc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000025822453 558651036 /nfs/dbraw/zinc/65/10/36/558651036.db2.gz UMNNXLYQTLYLOW-UHFFFAOYSA-N 0 0 410.495 4.195 40 0 HIABRN Cc1cc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)ccc1N1CCCC1=O ZINC000030752746 558736248 /nfs/dbraw/zinc/73/62/48/558736248.db2.gz LAXYUSUIZMIWAD-UHFFFAOYSA-N 0 0 420.534 4.190 40 0 HIABRN Cc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 ZINC000015386300 558736886 /nfs/dbraw/zinc/73/68/86/558736886.db2.gz MMUVNKBXYXBCDC-UHFFFAOYSA-N 0 0 412.486 4.207 40 0 HIABRN CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1 ZINC000030756761 558737381 /nfs/dbraw/zinc/73/73/81/558737381.db2.gz FVPPOQOWSOGQLN-QHCPKHFHSA-N 0 0 422.550 4.300 40 0 HIABRN Cc1ccc([C@H](C)NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)c(C)c1 ZINC000030758852 558737732 /nfs/dbraw/zinc/73/77/32/558737732.db2.gz XFAUAMXQDUKRSH-FQEVSTJZSA-N 0 0 416.587 4.344 40 0 HIABRN Cc1ccc([C@@H](C)NC(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)c(C)c1 ZINC000030758849 558737788 /nfs/dbraw/zinc/73/77/88/558737788.db2.gz XFAUAMXQDUKRSH-HXUWFJFHSA-N 0 0 416.587 4.344 40 0 HIABRN Cc1ccc(CN(C)C(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000030848777 558739555 /nfs/dbraw/zinc/73/95/55/558739555.db2.gz BASAQPVIRDFYJJ-UHFFFAOYSA-N 0 0 408.523 4.376 40 0 HIABRN CC[C@@H](NC(=O)[C@@H](CC)N(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccccc1 ZINC000030849789 558739753 /nfs/dbraw/zinc/73/97/53/558739753.db2.gz NQQKZBDGLHOOMO-NHCUHLMSSA-N 0 0 402.560 4.116 40 0 HIABRN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000015438749 558740061 /nfs/dbraw/zinc/74/00/61/558740061.db2.gz BTCXAZNTEDDSLC-UHFFFAOYSA-N 0 0 416.886 4.402 40 0 HIABRN COc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 ZINC000030859920 558741622 /nfs/dbraw/zinc/74/16/22/558741622.db2.gz YGBZSLUJUJKGNM-QGZVFWFLSA-N 0 0 404.466 4.031 40 0 HIABRN CCCCc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 ZINC000030865285 558742477 /nfs/dbraw/zinc/74/24/77/558742477.db2.gz CAPCSWVYUGFGAL-UHFFFAOYSA-N 0 0 400.544 4.207 40 0 HIABRN C[C@H](CCc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000015563930 558743923 /nfs/dbraw/zinc/74/39/23/558743923.db2.gz PDCQZKPDUHKTRI-LJQANCHMSA-N 0 0 422.550 4.263 40 0 HIABRN O=C(NCc1cccc(Cl)c1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000015585054 558744881 /nfs/dbraw/zinc/74/48/81/558744881.db2.gz YKZXKLOUHFBSOR-UHFFFAOYSA-N 0 0 418.877 4.210 40 0 HIABRN COc1cc2ccccc2cc1C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000015638310 558747289 /nfs/dbraw/zinc/74/72/89/558747289.db2.gz WXBYVXNAADTVON-GOSISDBHSA-N 0 0 404.466 4.010 40 0 HIABRN CC[C@H](C)[C@@H]1C(=O)O[C@H](C(Cl)(Cl)Cl)N1Cc1ccc(OC)cc1OC ZINC000031760336 558752198 /nfs/dbraw/zinc/75/21/98/558752198.db2.gz VYMYWNBINCCXMI-DRZCJDIDSA-N 0 0 410.725 4.174 40 0 HIABRN CC(C)(Br)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000031795921 558752457 /nfs/dbraw/zinc/75/24/57/558752457.db2.gz RUXAEENIJHBTMW-UHFFFAOYSA-N 0 0 401.348 4.094 40 0 HIABRN CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(Br)cc2)c1 ZINC000032111983 558753800 /nfs/dbraw/zinc/75/38/00/558753800.db2.gz VABLBJUOVSQCTR-UHFFFAOYSA-N 0 0 420.332 4.170 40 0 HIABRN CCN(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000033404755 558768318 /nfs/dbraw/zinc/76/83/18/558768318.db2.gz KMJVZATWRMTYLZ-UHFFFAOYSA-N 0 0 421.733 4.296 40 0 HIABRN CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)[C@@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000100715177 558771903 /nfs/dbraw/zinc/77/19/03/558771903.db2.gz OOKWXPRUMAFPGO-NEWSRXKRSA-N 0 0 424.541 4.178 40 0 HIABRN CN(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000016188093 558776544 /nfs/dbraw/zinc/77/65/44/558776544.db2.gz YOFUUGRUJFZKLR-UHFFFAOYSA-N 0 0 423.321 4.406 40 0 HIABRN COC(=O)CCC(=O)c1ccc([C@H]2C[C@@H]2c2ccc(C(=O)CCC(=O)OC)cc2)cc1 ZINC000016189783 558777190 /nfs/dbraw/zinc/77/71/90/558777190.db2.gz VNZWJMVJZOYIJY-NHCUHLMSSA-N 0 0 422.477 4.230 40 0 HIABRN Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2cccc(Cl)c2Cl)c(C)c1 ZINC000016267538 558782442 /nfs/dbraw/zinc/78/24/42/558782442.db2.gz DEZNKPPZYUBPCE-UHFFFAOYSA-N 0 0 415.342 4.178 40 0 HIABRN O=Cc1c(S(=O)(=O)c2ccccc2)c(-c2ccccc2)c2cc(Cl)ccc2[n+]1[O-] ZINC000016492414 558794795 /nfs/dbraw/zinc/79/47/95/558794795.db2.gz SNIDGDZEOJDGSG-UHFFFAOYSA-N 0 0 423.877 4.439 40 0 HIABRN Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4C)[C@@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000100799346 558796108 /nfs/dbraw/zinc/79/61/08/558796108.db2.gz CFPAIWKZMJGJHM-ACRUOGEOSA-N 0 0 404.491 4.416 40 0 HIABRN CC[C@H](C(=O)N[C@H](C)c1ccc(C)cc1C)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000036067904 558797458 /nfs/dbraw/zinc/79/74/58/558797458.db2.gz NHNCFGBWFPCHQZ-DENIHFKCSA-N 0 0 416.587 4.342 40 0 HIABRN CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2N)cc1 ZINC000016755816 558805624 /nfs/dbraw/zinc/80/56/24/558805624.db2.gz NXSKXKUCKROHPE-UHFFFAOYSA-N 0 0 415.950 4.341 40 0 HIABRN CNC(=O)[C@]1(Cc2cccc(-c3cccc(F)c3)c2)CCCN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC000072389005 558808961 /nfs/dbraw/zinc/80/89/61/558808961.db2.gz OLCIYPGODOTQNB-SEIFXHLTSA-N 0 0 408.517 4.046 40 0 HIABRN Cc1cc(C)cc(N([C@@H](C)C(=O)N[C@@H](CC(C)C)c2ccccc2)S(C)(=O)=O)c1 ZINC000038753305 558813878 /nfs/dbraw/zinc/81/38/78/558813878.db2.gz BBMGNSRTURXHPE-UGKGYDQZSA-N 0 0 416.587 4.362 40 0 HIABRN CC[C@H](C(=O)N[C@@H](C)c1ccc(C)cc1C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000038753726 558814047 /nfs/dbraw/zinc/81/40/47/558814047.db2.gz WEFQWTGLWAWEKP-OXJNMPFZSA-N 0 0 422.978 4.379 40 0 HIABRN C[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(C(C)(C)C)cc1 ZINC000038755454 558814514 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CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCCOc1ccccc1 ZINC000223135892 568539000 /nfs/dbraw/zinc/53/90/00/568539000.db2.gz AFVYMUUEPZIMPI-FQEVSTJZSA-N 0 0 402.922 4.052 40 0 HIABRN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000223137389 568539114 /nfs/dbraw/zinc/53/91/14/568539114.db2.gz NCKSIOCCYAJAGZ-TYOLEZHBSA-N 0 0 404.554 4.190 40 0 HIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1cccc(C)c1C ZINC000223138555 568539200 /nfs/dbraw/zinc/53/92/00/568539200.db2.gz YPRPKFRACGWYCH-PKOBYXMFSA-N 0 0 414.521 4.153 40 0 HIABRN CSc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1C(=O)N1CCCC1 ZINC000026114751 568540229 /nfs/dbraw/zinc/54/02/29/568540229.db2.gz LWVOEFVPNKIRNE-UHFFFAOYSA-N 0 0 424.975 4.407 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl ZINC000223189193 568540520 /nfs/dbraw/zinc/54/05/20/568540520.db2.gz ZZWDYZIADMCVSU-LJQANCHMSA-N 0 0 407.341 4.479 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1Cl ZINC000223197365 568540851 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CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc(C)cc1 ZINC000223280779 568543951 /nfs/dbraw/zinc/54/39/51/568543951.db2.gz KITDJRUKKVDCJU-IBGZPJMESA-N 0 0 423.340 4.234 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1F ZINC000223283540 568544096 /nfs/dbraw/zinc/54/40/96/568544096.db2.gz UGIGDWDKBASBEZ-SFHVURJKSA-N 0 0 411.304 4.228 40 0 HIABRN CCc1ccc([C@H](C)NC(=O)CCCN(c2ccc(CC)cc2)S(C)(=O)=O)cc1 ZINC000223293251 568544217 /nfs/dbraw/zinc/54/42/17/568544217.db2.gz NRGQWOWUCVEJSD-SFHVURJKSA-N 0 0 416.587 4.235 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C ZINC000223327549 568545373 /nfs/dbraw/zinc/54/53/73/568545373.db2.gz HLQSQKQYJFSQGA-IBGZPJMESA-N 0 0 407.341 4.398 40 0 HIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccccn2)N1Cc1ccccc1 ZINC000223370963 568546682 /nfs/dbraw/zinc/54/66/82/568546682.db2.gz FSCLLYDTWOPDLO-XZOQPEGZSA-N 0 0 411.534 4.440 40 0 HIABRN Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)Nc4ccccc4F)ccc32)cc1 ZINC000223375015 568546896 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Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1C1CCCCC1 ZINC000223613903 568553353 /nfs/dbraw/zinc/55/33/53/568553353.db2.gz HIFMLUMKTLYATN-VXKWHMMOSA-N 0 0 412.603 4.360 40 0 HIABRN Cc1ccc(N(CC(=O)Nc2ccc3c(c2)oc2ccccc23)S(C)(=O)=O)cc1 ZINC000223619592 568553493 /nfs/dbraw/zinc/55/34/93/568553493.db2.gz FRPHKGYIEVVPLB-UHFFFAOYSA-N 0 0 408.479 4.299 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1cccc2ccccc21 ZINC000223625660 568553737 /nfs/dbraw/zinc/55/37/37/568553737.db2.gz AVIYBJLSWDFROH-IBGZPJMESA-N 0 0 404.510 4.080 40 0 HIABRN CC(C)c1ccc(-c2noc(CNS(=O)(=O)Cc3ccc(Cl)cc3)n2)cc1 ZINC000223629223 568553981 /nfs/dbraw/zinc/55/39/81/568553981.db2.gz BTKGQVGDUUSCQO-UHFFFAOYSA-N 0 0 405.907 4.133 40 0 HIABRN CCOc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCO)o2)cc1 ZINC000223631095 568554131 /nfs/dbraw/zinc/55/41/31/568554131.db2.gz YJKSZUHWDLVMGF-YADHBBJMSA-N 0 0 423.538 4.095 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(Cl)c1 ZINC000223639734 568554418 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Cc1cc(C)nc(N2CCC[C@@H](C(=O)NCC(c3ccccc3)c3ccccc3)C2)n1 ZINC000004967830 560622129 /nfs/dbraw/zinc/62/21/29/560622129.db2.gz OASXGGSGEFNKAV-HSZRJFAPSA-N 0 0 414.553 4.258 40 0 HIABRN CCCCOc1ccc(-c2nnn(CC(=O)Nc3cccc4ccccc43)n2)cc1 ZINC000004973947 560622664 /nfs/dbraw/zinc/62/26/64/560622664.db2.gz NRFVHJIUXZHOES-UHFFFAOYSA-N 0 0 401.470 4.311 40 0 HIABRN COc1ccccc1-c1nnc(SCC(=O)Nc2cc(Cl)ccc2C)n1C ZINC000005022101 560623743 /nfs/dbraw/zinc/62/37/43/560623743.db2.gz BVPOQOVBHWCUHZ-UHFFFAOYSA-N 0 0 402.907 4.183 40 0 HIABRN COc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(CNc2cccc(C)c2)n1 ZINC000005448384 560626575 /nfs/dbraw/zinc/62/65/75/560626575.db2.gz CHSBVEMDTMIGJJ-UHFFFAOYSA-N 0 0 417.922 4.118 40 0 HIABRN COc1ccc(OC)c(NC(=O)CSc2nnc3c(C)cc4cc(C)ccc4n23)c1 ZINC000006281952 560630475 /nfs/dbraw/zinc/63/04/75/560630475.db2.gz GVVYYTGARWOROE-UHFFFAOYSA-N 0 0 422.510 4.247 40 0 HIABRN COc1ccc(OC)c([C@@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2)c1 ZINC000006678921 560633126 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0 HIABRN COc1ccc(OC)c(N2C(=O)c3cccc4c(Br)ccc(c43)C2=O)c1 ZINC000408973707 560659872 /nfs/dbraw/zinc/65/98/72/560659872.db2.gz PKRYGEUZBQPOGY-UHFFFAOYSA-N 0 0 412.239 4.420 40 0 HIABRN COc1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000408972683 560660824 /nfs/dbraw/zinc/66/08/24/560660824.db2.gz ULYZMGWPTHBICR-UHFFFAOYSA-N 0 0 407.297 4.493 40 0 HIABRN COc1ccc(C)cc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCC(C)C ZINC000409002672 560664189 /nfs/dbraw/zinc/66/41/89/560664189.db2.gz PAUGQECUQCDAOP-NRFANRHFSA-N 0 0 423.513 4.417 40 0 HIABRN Cc1ccc(CN(CC(=O)Nc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000409003463 560664914 /nfs/dbraw/zinc/66/49/14/560664914.db2.gz HBFGFGKMEQRCOB-UHFFFAOYSA-N 0 0 422.550 4.441 40 0 HIABRN CCN1C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)cc2)NC1=S ZINC000409008408 560664971 /nfs/dbraw/zinc/66/49/71/560664971.db2.gz YBCIPRZVGPVMEM-BOPFTXTBSA-N 0 0 417.328 4.106 40 0 HIABRN COC(=O)C(=Cc1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)C(=O)OC ZINC000409045791 560669380 /nfs/dbraw/zinc/66/93/80/560669380.db2.gz IASHINXMCHHYNC-UHFFFAOYSA-N 0 0 413.228 4.441 40 0 HIABRN CCOc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)c(Br)cc1OC ZINC000409091679 560675387 /nfs/dbraw/zinc/67/53/87/560675387.db2.gz RIXSPSMITPVCTE-DHDCSXOGSA-N 0 0 423.307 4.082 40 0 HIABRN CN(C)c1ccc(-n2cccc2/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000409103650 560675555 /nfs/dbraw/zinc/67/55/55/560675555.db2.gz AVHHDGNOAUIZPN-XSFVSMFZSA-N 0 0 406.873 4.294 40 0 HIABRN CCc1ccc(C2=NN(C(=O)COc3cc(C)cc(C)c3)[C@](O)(C(F)(F)F)C2)cc1 ZINC000409102395 560677397 /nfs/dbraw/zinc/67/73/97/560677397.db2.gz ZGIUZTAKDGONTF-OAQYLSRUSA-N 0 0 420.431 4.132 40 0 HIABRN CCCN1C(=O)/C(=C\c2ccc(O)c(I)c2)c2ccccc21 ZINC000409120183 560679533 /nfs/dbraw/zinc/67/95/33/560679533.db2.gz VSYGCUFDXLSGAU-UVTDQMKNSA-N 0 0 405.235 4.294 40 0 HIABRN CC(C)N1C(=O)S/C(=C\c2cn(CC(=O)NC3CCCC3)c3ccccc23)C1=O ZINC000409129021 560681543 /nfs/dbraw/zinc/68/15/43/560681543.db2.gz LPKKACVMLIGQMV-ODLFYWEKSA-N 0 0 411.527 4.145 40 0 HIABRN CCN1C(=O)/C(=C/c2ccc(-c3ccc(Br)c(C)c3)o2)N(C)C1=S ZINC000409139873 560683319 /nfs/dbraw/zinc/68/33/19/560683319.db2.gz PCQJJPIOSTXWLD-GDNBJRDFSA-N 0 0 405.317 4.437 40 0 HIABRN Cc1cc(Br)ccc1NC(=O)CSc1nnc(Cc2ccccc2)o1 ZINC000409151299 560684050 /nfs/dbraw/zinc/68/40/50/560684050.db2.gz GAAKWMUVSPHQSA-UHFFFAOYSA-N 0 0 418.316 4.462 40 0 HIABRN C[C@H](Oc1ccccc1Cl)c1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2C)n1C ZINC000409170162 560685807 /nfs/dbraw/zinc/68/58/07/560685807.db2.gz SRKYHYHXSXBQNX-IJEWVQPXSA-N 0 0 422.982 4.396 40 0 HIABRN C[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)CSCc1ccccc1Cl)N2 ZINC000409171956 560686678 /nfs/dbraw/zinc/68/66/78/560686678.db2.gz FMCSRVAQGAYJFB-CJBNDPTMSA-N 0 0 420.884 4.459 40 0 HIABRN CCOc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)cc2C)C1=O ZINC000409177809 560687518 /nfs/dbraw/zinc/68/75/18/560687518.db2.gz IWNDLVAIOVIQBR-XDHOZWIPSA-N 0 0 410.495 4.377 40 0 HIABRN CCOC(=O)c1cc(NC(=O)CSc2ccccc2NC(C)=O)ccc1Cl ZINC000409178357 560687599 /nfs/dbraw/zinc/68/75/99/560687599.db2.gz GTEJGTKXKJUQRT-UHFFFAOYSA-N 0 0 406.891 4.206 40 0 HIABRN CN1C(=O)N/C(=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)C1=O ZINC000409193674 560689851 /nfs/dbraw/zinc/68/98/51/560689851.db2.gz KOJBODORDKYBJM-KPKJPENVSA-N 0 0 413.680 4.369 40 0 HIABRN CN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2ccccc2Cl)C1=O ZINC000409194108 560689895 /nfs/dbraw/zinc/68/98/95/560689895.db2.gz OAIATWFVJWOXFY-OQLLNIDSSA-N 0 0 421.678 4.204 40 0 HIABRN CCOc1ccc(C2=N/C(=C\c3ccccc3OC(=O)CC)C(=O)O2)cc1OCC ZINC000409194780 560690090 /nfs/dbraw/zinc/69/00/90/560690090.db2.gz RBTMRZGAIMLFKW-LGMDPLHJSA-N 0 0 409.438 4.144 40 0 HIABRN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)NCC(C)C)cc1C ZINC000409202961 560693573 /nfs/dbraw/zinc/69/35/73/560693573.db2.gz TWZORZXIQDLBCH-UHFFFAOYSA-N 0 0 408.571 4.339 40 0 HIABRN CCOc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)ccc1OC(C)C ZINC000409209936 560694559 /nfs/dbraw/zinc/69/45/59/560694559.db2.gz IMOGFHJIUZSSPT-VCHYOVAHSA-N 0 0 421.515 4.108 40 0 HIABRN O=C(CN1C(=O)SC(=Cc2ccc(O)c(Br)c2)C1=O)c1ccccc1 ZINC000409219664 560697978 /nfs/dbraw/zinc/69/79/78/560697978.db2.gz SXBVTMPXHLFJFB-CXUHLZMHSA-N 0 0 418.268 4.074 40 0 HIABRN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000409224846 560698142 /nfs/dbraw/zinc/69/81/42/560698142.db2.gz MPJGGQVWANCVJP-LZYBPNLTSA-N 0 0 420.849 4.163 40 0 HIABRN O=C(CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409220380 560698607 /nfs/dbraw/zinc/69/86/07/560698607.db2.gz YIDNJQPUSCTPSQ-VIZOYTHASA-N 0 0 408.813 4.293 40 0 HIABRN CSc1ccccc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000409249399 560702003 /nfs/dbraw/zinc/70/20/03/560702003.db2.gz HVRBRKDZBUDAOV-UHFFFAOYSA-N 0 0 419.355 4.120 40 0 HIABRN O=C(COc1ccc(C(=S)N2CCCC2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000409241530 560702494 /nfs/dbraw/zinc/70/24/94/560702494.db2.gz YCJVEBYYYCPEBZ-UHFFFAOYSA-N 0 0 408.445 4.494 40 0 HIABRN Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1Cl ZINC000409261840 560704485 /nfs/dbraw/zinc/70/44/85/560704485.db2.gz DMZYHADJRWDAFW-UHFFFAOYSA-N 0 0 408.951 4.297 40 0 HIABRN O=c1[nH]c(-c2ccc(-c3ccc(I)cc3)o2)nc2ccccc12 ZINC000409260590 560704502 /nfs/dbraw/zinc/70/45/02/560704502.db2.gz SNWNLKWMNCPCSB-UHFFFAOYSA-N 0 0 414.202 4.455 40 0 HIABRN Cc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)n1 ZINC000409340630 560711218 /nfs/dbraw/zinc/71/12/18/560711218.db2.gz AEFHHKJEZPLERZ-XDHOZWIPSA-N 0 0 403.463 4.218 40 0 HIABRN CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)N[C@H]1CCCC[C@@H]1C ZINC000409341926 560711495 /nfs/dbraw/zinc/71/14/95/560711495.db2.gz CUANWENRSPMVSG-YJBOKZPZSA-N 0 0 416.591 4.281 40 0 HIABRN Cn1c(CC(=O)Nc2ccccc2)nnc1SCc1ccc(Br)cc1 ZINC000409344807 560712234 /nfs/dbraw/zinc/71/22/34/560712234.db2.gz HHIMTYMGYJEBCU-UHFFFAOYSA-N 0 0 417.332 4.051 40 0 HIABRN Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc2ccccc2c1 ZINC000409346230 560712937 /nfs/dbraw/zinc/71/29/37/560712937.db2.gz MZOGGERPGXPYCL-UHFFFAOYSA-N 0 0 404.495 4.278 40 0 HIABRN Cn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)Nc1ccccc1 ZINC000409361694 560714944 /nfs/dbraw/zinc/71/49/44/560714944.db2.gz PLJHAQGGTQOJBZ-UHFFFAOYSA-N 0 0 402.520 4.118 40 0 HIABRN Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c(Cl)c3)C2=O)c1 ZINC000409363338 560715094 /nfs/dbraw/zinc/71/50/94/560715094.db2.gz WBVKEDLLZAMLQG-RQZCQDPDSA-N 0 0 416.886 4.337 40 0 HIABRN CCCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)c1 ZINC000409365273 560715311 /nfs/dbraw/zinc/71/53/11/560715311.db2.gz XTWMELYKIAPDIH-UHFFFAOYSA-N 0 0 411.483 4.343 40 0 HIABRN O=C(CSCc1ccccc1)N1NC(C2CCCCC2)=C[C@]1(O)C(F)(F)F ZINC000409365902 560715416 /nfs/dbraw/zinc/71/54/16/560715416.db2.gz PQMNEXIFZYLESG-SFHVURJKSA-N 0 0 400.466 4.339 40 0 HIABRN CCOc1ccc(Cl)cc1/C=C1/SC(=O)N(CC(=O)N2CCC(C)CC2)C1=O ZINC000409366727 560716454 /nfs/dbraw/zinc/71/64/54/560716454.db2.gz VJMRULFOQLUTRQ-GZTJUZNOSA-N 0 0 422.934 4.034 40 0 HIABRN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCSC(C)(C)C)ccc2C)c1 ZINC000409410193 560721210 /nfs/dbraw/zinc/72/12/10/560721210.db2.gz KXUWVOZDFCQOEL-UHFFFAOYSA-N 0 0 420.600 4.366 40 0 HIABRN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000409406877 560722336 /nfs/dbraw/zinc/72/23/36/560722336.db2.gz DMFVCSAZXHOQII-GFCCVEGCSA-N 0 0 401.315 4.095 40 0 HIABRN C[C@H](O)c1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cc1 ZINC000000779042 560725599 /nfs/dbraw/zinc/72/55/99/560725599.db2.gz WQOQTHQEKQJZLZ-YLVFBTJISA-N 0 0 420.391 4.442 40 0 HIABRN COC(=O)CN1C(=O)S/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O ZINC000001138336 560727246 /nfs/dbraw/zinc/72/72/46/560727246.db2.gz DHEHWGCTFBMADG-GDNBJRDFSA-N 0 0 405.516 4.197 40 0 HIABRN CCOC(=O)[C@H]1[C@H]2C=C[C@H](c3c(NC(=O)c4ccccc4)cccc32)[C@@H]1C(=O)OCC ZINC000001319529 560728273 /nfs/dbraw/zinc/72/82/73/560728273.db2.gz PNROSHKGGQSIQX-UDKICSLYSA-N 0 0 419.477 4.048 40 0 HIABRN COc1cc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)O2)cc(OC)c1OC ZINC000001511708 560728521 /nfs/dbraw/zinc/72/85/21/560728521.db2.gz GGAKLZZOLKBVIF-MKMNVTDBSA-N 0 0 408.237 4.364 40 0 HIABRN 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0 401.553 4.369 40 0 HIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1cccc(C)c1C ZINC000223138616 568539169 /nfs/dbraw/zinc/53/91/69/568539169.db2.gz YPRPKFRACGWYCH-MJGOQNOKSA-N 0 0 414.521 4.153 40 0 HIABRN CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@@H](CC)C(=O)NC)cc1 ZINC000223143174 568539351 /nfs/dbraw/zinc/53/93/51/568539351.db2.gz GXHWHXFOKCIBDA-NRFANRHFSA-N 0 0 400.950 4.388 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(F)cc1 ZINC000223142098 568539372 /nfs/dbraw/zinc/53/93/72/568539372.db2.gz USICHDKMTFRUFC-IBGZPJMESA-N 0 0 422.953 4.266 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1C ZINC000223152722 568539597 /nfs/dbraw/zinc/53/95/97/568539597.db2.gz JWBWNJLXMSPIPN-HXUWFJFHSA-N 0 0 418.990 4.435 40 0 HIABRN C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc2c(c1)CCC2 ZINC000223181256 568540353 /nfs/dbraw/zinc/54/03/53/568540353.db2.gz SCHPIWWACCZGSY-KRWDZBQOSA-N 0 0 420.534 4.467 40 0 HIABRN CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](CC)C(=O)NC)cc1 ZINC000223187462 568540513 /nfs/dbraw/zinc/54/05/13/568540513.db2.gz CYELENJXIIJAPH-NRFANRHFSA-N 0 0 400.950 4.388 40 0 HIABRN CSc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1C(=O)N1CCCCC1 ZINC000026115668 568540517 /nfs/dbraw/zinc/54/05/17/568540517.db2.gz YYGKROQFNCPMLW-UHFFFAOYSA-N 0 0 418.584 4.452 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1F ZINC000223191690 568540651 /nfs/dbraw/zinc/54/06/51/568540651.db2.gz JQXZIIQYXRRLLR-LJQANCHMSA-N 0 0 422.953 4.266 40 0 HIABRN CCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000223193467 568540682 /nfs/dbraw/zinc/54/06/82/568540682.db2.gz SBVVKYAMHPIPNR-DEOSSOPVSA-N 0 0 418.512 4.492 40 0 HIABRN Cc1cccc(CSCCNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c1 ZINC000223194560 568540751 /nfs/dbraw/zinc/54/07/51/568540751.db2.gz CBARUUFYQPDOKE-JWGURIENSA-N 0 0 420.534 4.409 40 0 HIABRN Cc1cccc(N2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)c1C ZINC000026111080 568540777 /nfs/dbraw/zinc/54/07/77/568540777.db2.gz GDCBQFMSAGYULT-UHFFFAOYSA-N 0 0 413.370 4.262 40 0 HIABRN COc1ccccc1CNC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1 ZINC000223199909 568540936 /nfs/dbraw/zinc/54/09/36/568540936.db2.gz PKNYYSVPUFJUSH-ZHZULCJRSA-N 0 0 406.507 4.152 40 0 HIABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccco1 ZINC000223198576 568540977 /nfs/dbraw/zinc/54/09/77/568540977.db2.gz ZOHPXNSJEIBDBR-HSZRJFAPSA-N 0 0 422.500 4.475 40 0 HIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1 ZINC000223221102 568541340 /nfs/dbraw/zinc/54/13/40/568541340.db2.gz JXYDYBHLIYIRRF-QFIPXVFZSA-N 0 0 410.558 4.404 40 0 HIABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCc2cccc(C)c2)cc1 ZINC000223217932 568541381 /nfs/dbraw/zinc/54/13/81/568541381.db2.gz IMJIBBRWFZTUBO-QJOMJCCJSA-N 0 0 418.493 4.117 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 ZINC000223243307 568542495 /nfs/dbraw/zinc/54/24/95/568542495.db2.gz ZLTKPHWHZYOPDJ-IBGZPJMESA-N 0 0 407.341 4.479 40 0 HIABRN CCOc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1NC(=O)c1ccccc1 ZINC000223258908 568543008 /nfs/dbraw/zinc/54/30/08/568543008.db2.gz XTCYFIOYDXNHGG-UHFFFAOYSA-N 0 0 410.495 4.163 40 0 HIABRN COc1ccccc1[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 ZINC000223264259 568543285 /nfs/dbraw/zinc/54/32/85/568543285.db2.gz VLTJLPNOJQOUTR-QGZVFWFLSA-N 0 0 424.522 4.295 40 0 HIABRN C[C@H]1Cc2cc(S(=O)(=O)N3CCc4ccccc43)ccc2N1C(=O)c1ccccc1 ZINC000223269087 568543495 /nfs/dbraw/zinc/54/34/95/568543495.db2.gz OVVMJHLQQYXGAA-KRWDZBQOSA-N 0 0 418.518 4.029 40 0 HIABRN CCC1(CC)C[C@@H](NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c2ccccc2O1 ZINC000223270242 568543503 /nfs/dbraw/zinc/54/35/03/568543503.db2.gz QMLONRFUOCRDTJ-LJQANCHMSA-N 0 0 416.543 4.179 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1cccc(C)c1C ZINC000223281744 568543925 /nfs/dbraw/zinc/54/39/25/568543925.db2.gz ICBHCLBDJNENLK-IBGZPJMESA-N 0 0 414.521 4.155 40 0 HIABRN CCS(=O)(=O)Nc1ccc(C(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 ZINC000223317099 568544972 /nfs/dbraw/zinc/54/49/72/568544972.db2.gz JJTHYDSKCIXTGV-MRXNPFEDSA-N 0 0 418.559 4.380 40 0 HIABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2ccc(C)cc2)cc1 ZINC000223320075 568545127 /nfs/dbraw/zinc/54/51/27/568545127.db2.gz NJDXGYPKKUUIPP-WPGBELRESA-N 0 0 404.466 4.245 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(-c3ccccc3)c2)N1C[C@@H]1CCCO1 ZINC000223327086 568545364 /nfs/dbraw/zinc/54/53/64/568545364.db2.gz PAVFAAPFYNZABX-KSEOMHKRSA-N 0 0 404.539 4.024 40 0 HIABRN CCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccccc1OC)c1ccccc1 ZINC000223341152 568545884 /nfs/dbraw/zinc/54/58/84/568545884.db2.gz NPVSWWIDWQTNLB-VWLOTQADSA-N 0 0 416.521 4.492 40 0 HIABRN CCCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1cccnc1)c1ccccc1 ZINC000223344912 568545943 /nfs/dbraw/zinc/54/59/43/568545943.db2.gz ZDUIXUDKFPCPAC-DEOSSOPVSA-N 0 0 401.510 4.268 40 0 HIABRN Oc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 ZINC000223357572 568546331 /nfs/dbraw/zinc/54/63/31/568546331.db2.gz FYGGZPQTCOXMNR-FGZHOGPDSA-N 0 0 416.506 4.344 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 ZINC000223363781 568546579 /nfs/dbraw/zinc/54/65/79/568546579.db2.gz RMASXEALPONDRS-IBGZPJMESA-N 0 0 407.341 4.398 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1cccc(C)c1 ZINC000223368861 568546648 /nfs/dbraw/zinc/54/66/48/568546648.db2.gz NTIQUXSCPSCKAH-IBGZPJMESA-N 0 0 423.340 4.234 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccnc2)N1Cc1ccccc1 ZINC000223371279 568546776 /nfs/dbraw/zinc/54/67/76/568546776.db2.gz MPPMQSYDYORSKG-PKTZIBPZSA-N 0 0 411.534 4.440 40 0 HIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1C ZINC000223404784 568547640 /nfs/dbraw/zinc/54/76/40/568547640.db2.gz JIZNBDKGEXUYGT-HXUWFJFHSA-N 0 0 414.521 4.235 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223415921 568548160 /nfs/dbraw/zinc/54/81/60/568548160.db2.gz QFWWXTBKJBPGBK-LJQANCHMSA-N 0 0 423.340 4.098 40 0 HIABRN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC)c3ccc(C)cc3C)ccc21 ZINC000223436127 568548943 /nfs/dbraw/zinc/54/89/43/568548943.db2.gz HQNGDPKYPVPLES-HXUWFJFHSA-N 0 0 400.544 4.032 40 0 HIABRN CCCCCNC(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 ZINC000223468820 568549796 /nfs/dbraw/zinc/54/97/96/568549796.db2.gz OMLMZTMYAWFOMW-UHFFFAOYSA-N 0 0 402.560 4.190 40 0 HIABRN Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1C ZINC000223487418 568550231 /nfs/dbraw/zinc/55/02/31/568550231.db2.gz IIAAPYYXVQJLBB-OAHLLOKOSA-N 0 0 408.951 4.152 40 0 HIABRN O=C(NCCOc1cccc2ccccc21)c1ccccc1I ZINC000223511299 568550721 /nfs/dbraw/zinc/55/07/21/568550721.db2.gz LBJGDBFRFIHBGI-UHFFFAOYSA-N 0 0 417.246 4.253 40 0 HIABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(Cl)cc1 ZINC000223515046 568550830 /nfs/dbraw/zinc/55/08/30/568550830.db2.gz ODYQASUVJFBGPU-SFHVURJKSA-N 0 0 416.949 4.095 40 0 HIABRN Cc1ccc(N(CC(=O)NCC2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223547533 568551479 /nfs/dbraw/zinc/55/14/79/568551479.db2.gz XNSCUNLDDHRKPA-UHFFFAOYSA-N 0 0 414.571 4.195 40 0 HIABRN CC[C@H](NC(=O)COc1cc(C)ccc1C(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000223551859 568551574 /nfs/dbraw/zinc/55/15/74/568551574.db2.gz CTYGBIHQJTVYMA-FQEVSTJZSA-N 0 0 403.544 4.168 40 0 HIABRN Cc1ccc(Sc2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)o2)cc1 ZINC000223572765 568552066 /nfs/dbraw/zinc/55/20/66/568552066.db2.gz QTCGSHDHFATUII-UXHICEINSA-N 0 0 411.552 4.099 40 0 HIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(CC)cc1 ZINC000223596416 568552802 /nfs/dbraw/zinc/55/28/02/568552802.db2.gz ZDPMEDDULAJDGI-HSZRJFAPSA-N 0 0 410.558 4.352 40 0 HIABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2cccc(C)c2)cc1 ZINC000223612363 568553308 /nfs/dbraw/zinc/55/33/08/568553308.db2.gz OTRSDTAATHZXRN-STZFKDTASA-N 0 0 406.507 4.152 40 0 HIABRN O=C(COc1ccc(Br)cc1)NCCOc1ccc2ccccc2c1 ZINC000223613636 568553386 /nfs/dbraw/zinc/55/33/86/568553386.db2.gz SCTIKLYMQWGXMH-UHFFFAOYSA-N 0 0 400.272 4.176 40 0 HIABRN CSc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1NC(=O)C(C)C ZINC000223616021 568553419 /nfs/dbraw/zinc/55/34/19/568553419.db2.gz VTWOBNGTEFHPNV-UHFFFAOYSA-N 0 0 400.472 4.082 40 0 HIABRN CC(C)c1ccc(-c2noc(CN(C)S(=O)(=O)Cc3ccccc3Cl)n2)cc1 ZINC000223627846 568553856 /nfs/dbraw/zinc/55/38/56/568553856.db2.gz RVEAOYSMCMQEFT-UHFFFAOYSA-N 0 0 419.934 4.475 40 0 HIABRN CC(C)c1ccc(-c2noc(CN(C)S(=O)(=O)Cc3ccc(Cl)cc3)n2)cc1 ZINC000223629672 568554019 /nfs/dbraw/zinc/55/40/19/568554019.db2.gz XEDCSZITLOTNRB-UHFFFAOYSA-N 0 0 419.934 4.475 40 0 HIABRN CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)o2)cc1 ZINC000223631134 568554113 /nfs/dbraw/zinc/55/41/13/568554113.db2.gz YJKSZUHWDLVMGF-FCHUYYIVSA-N 0 0 423.538 4.095 40 0 HIABRN CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000223634177 568554204 /nfs/dbraw/zinc/55/42/04/568554204.db2.gz WLQPOYHYIXSWNW-UHFFFAOYSA-N 0 0 417.506 4.135 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223637098 568554313 /nfs/dbraw/zinc/55/43/13/568554313.db2.gz YQBFETSXLLFGQW-OAHLLOKOSA-N 0 0 407.341 4.398 40 0 HIABRN COc1cc2c(cc1S(=O)(=O)NCCOc1ccc3ccccc3c1)CCCC2 ZINC000223644037 568554728 /nfs/dbraw/zinc/55/47/28/568554728.db2.gz GNKSWFGXZQJIIB-UHFFFAOYSA-N 0 0 411.523 4.085 40 0 HIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(OC)cc1 ZINC000223646295 568554841 /nfs/dbraw/zinc/55/48/41/568554841.db2.gz SYZCBKVVPCVXQE-HSZRJFAPSA-N 0 0 410.558 4.270 40 0 HIABRN COc1ccc(S(=O)(=O)Nc2cccc(OCCc3ccccc3)c2)cc1F ZINC000223655850 568555112 /nfs/dbraw/zinc/55/51/12/568555112.db2.gz SCNNFXUNUDCGKF-UHFFFAOYSA-N 0 0 401.459 4.257 40 0 HIABRN CCOC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)ccc1Cl ZINC000223666112 568555460 /nfs/dbraw/zinc/55/54/60/568555460.db2.gz VVJJJFWXWXAPCX-UHFFFAOYSA-N 0 0 423.918 4.421 40 0 HIABRN CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 ZINC000223665442 568555512 /nfs/dbraw/zinc/55/55/12/568555512.db2.gz HKTBRBKDDBWGTF-UHFFFAOYSA-N 0 0 403.500 4.076 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 ZINC000223685330 568556171 /nfs/dbraw/zinc/55/61/71/568556171.db2.gz BRKJQGWDIMKGBG-INIZCTEOSA-N 0 0 404.963 4.376 40 0 HIABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(OC)cc1 ZINC000223693307 568556414 /nfs/dbraw/zinc/55/64/14/568556414.db2.gz CILBZEVEJBXTOD-QHCPKHFHSA-N 0 0 410.558 4.270 40 0 HIABRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 ZINC000223735684 568557651 /nfs/dbraw/zinc/55/76/51/568557651.db2.gz KZRFNJUTQGWOMD-YADHBBJMSA-N 0 0 421.522 4.267 40 0 HIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1 ZINC000223744288 568557877 /nfs/dbraw/zinc/55/78/77/568557877.db2.gz ROXSUCRAILVKQG-HSZRJFAPSA-N 0 0 410.558 4.406 40 0 HIABRN C[C@@H](CNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccccc1 ZINC000223747876 568557968 /nfs/dbraw/zinc/55/79/68/568557968.db2.gz DGKFXWFUUFMSCA-IBGZPJMESA-N 0 0 422.550 4.186 40 0 HIABRN CCc1ccc(N(CC(=O)NCC2=CCCCC2)S(=O)(=O)c2ccccc2)cc1 ZINC000223767873 568558578 /nfs/dbraw/zinc/55/85/78/568558578.db2.gz OPYWSXRPGNQINC-UHFFFAOYSA-N 0 0 412.555 4.061 40 0 HIABRN Cc1ccc(C)c(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223782181 568558935 /nfs/dbraw/zinc/55/89/35/568558935.db2.gz GJPBKSNGVBHNMM-OAQYLSRUSA-N 0 0 422.569 4.467 40 0 HIABRN C[C@@H](Oc1ccc(Br)cc1)C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000223787865 568559084 /nfs/dbraw/zinc/55/90/84/568559084.db2.gz DYMPITIVRBTRFA-MRXNPFEDSA-N 0 0 418.331 4.081 40 0 HIABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2CCOC)cc1 ZINC000223791955 568559199 /nfs/dbraw/zinc/55/91/99/568559199.db2.gz ZESIIWATIFUENH-FCHUYYIVSA-N 0 0 422.554 4.105 40 0 HIABRN Cc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223806967 568559541 /nfs/dbraw/zinc/55/95/41/568559541.db2.gz AWYPYODPKVUMQN-HXUWFJFHSA-N 0 0 408.542 4.158 40 0 HIABRN Cc1ccc(CN(C(=O)COc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223813808 568559762 /nfs/dbraw/zinc/55/97/62/568559762.db2.gz BOETVIPCRFTSJR-HXUWFJFHSA-N 0 0 408.542 4.158 40 0 HIABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223842610 568560637 /nfs/dbraw/zinc/56/06/37/568560637.db2.gz GUSZGCKSRCVWGL-SFHVURJKSA-N 0 0 400.950 4.443 40 0 HIABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)cc1 ZINC000223851988 568560866 /nfs/dbraw/zinc/56/08/66/568560866.db2.gz LDTZIZAUWZHBFC-VXKWHMMOSA-N 0 0 416.506 4.407 40 0 HIABRN COCCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C ZINC000223854674 568560966 /nfs/dbraw/zinc/56/09/66/568560966.db2.gz JENGRBHQMNMBLA-FGZHOGPDSA-N 0 0 422.554 4.029 40 0 HIABRN Cc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1C ZINC000223890050 568562200 /nfs/dbraw/zinc/56/22/00/568562200.db2.gz RNLUHTJLNWNCEP-IBGZPJMESA-N 0 0 410.533 4.461 40 0 HIABRN Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCCCc2ccccc2)c1 ZINC000223940285 568563620 /nfs/dbraw/zinc/56/36/20/568563620.db2.gz KPXGRNAAJHJMCP-UHFFFAOYSA-N 0 0 408.523 4.158 40 0 HIABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCCc3cccc(C)c3)c2)cc1 ZINC000223956254 568564348 /nfs/dbraw/zinc/56/43/48/568564348.db2.gz AQSJGNSZSKDBOS-UHFFFAOYSA-N 0 0 422.550 4.467 40 0 HIABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000223955412 568564443 /nfs/dbraw/zinc/56/44/43/568564443.db2.gz CUXFYIZAQKPBRB-PDGQHHTCSA-N 0 0 406.463 4.195 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 ZINC000223956877 568564543 /nfs/dbraw/zinc/56/45/43/568564543.db2.gz UTFYCCFSVVTFDT-HNNXBMFYSA-N 0 0 407.341 4.398 40 0 HIABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCCC3)cc2C)cc1 ZINC000224012941 568566442 /nfs/dbraw/zinc/56/64/42/568566442.db2.gz DYLIRYOWPBDACJ-UHFFFAOYSA-N 0 0 416.543 4.257 40 0 HIABRN CCc1ccc(OCC(=O)NCCOc2cc(C)ccc2C)c(Br)c1 ZINC000224015637 568566511 /nfs/dbraw/zinc/56/65/11/568566511.db2.gz RWSWPTWMLPWLIT-UHFFFAOYSA-N 0 0 406.320 4.202 40 0 HIABRN COc1cccc(CN(C(=O)Cc2cc(C)ccc2C)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000224038745 568567278 /nfs/dbraw/zinc/56/72/78/568567278.db2.gz LZSVMANDNAZADL-HXUWFJFHSA-N 0 0 422.569 4.331 40 0 HIABRN COc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCC3=CCCCC3)c2)cc1 ZINC000224040491 568567344 /nfs/dbraw/zinc/56/73/44/568567344.db2.gz STKDGELWRDAXID-UHFFFAOYSA-N 0 0 414.527 4.116 40 0 HIABRN COc1cccc(CN(C(=O)Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000224045181 568567589 /nfs/dbraw/zinc/56/75/89/568567589.db2.gz XMVDHWNTRJQGKL-LJQANCHMSA-N 0 0 408.542 4.022 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000224048987 568567726 /nfs/dbraw/zinc/56/77/26/568567726.db2.gz XXMDPINOTKDJKQ-CQSZACIVSA-N 0 0 423.340 4.098 40 0 HIABRN Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000224051448 568567783 /nfs/dbraw/zinc/56/77/83/568567783.db2.gz VAMDMVYDDFRDCL-BXTJHSDWSA-N 0 0 418.946 4.368 40 0 HIABRN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)NCC2=CCCCC2)cc1 ZINC000224061883 568568243 /nfs/dbraw/zinc/56/82/43/568568243.db2.gz KKZKSFCITBBWEU-UHFFFAOYSA-N 0 0 416.518 4.022 40 0 HIABRN CC(C)CNC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000224064437 568568294 /nfs/dbraw/zinc/56/82/94/568568294.db2.gz WTIBAGNQTBUOEU-UHFFFAOYSA-N 0 0 401.315 4.180 40 0 HIABRN CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1cccc(C)c1C ZINC000224073409 568568517 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HIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2C)cc1 ZINC000224089650 568569469 /nfs/dbraw/zinc/56/94/69/568569469.db2.gz MZWTVFFFKAMRCQ-UHFFFAOYSA-N 0 0 412.486 4.173 40 0 HIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1Cl ZINC000224093456 568569610 /nfs/dbraw/zinc/56/96/10/568569610.db2.gz KHFQGYFLOARRSR-GOSISDBHSA-N 0 0 423.340 4.316 40 0 HIABRN Cc1ccc(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1C ZINC000224098668 568569879 /nfs/dbraw/zinc/56/98/79/568569879.db2.gz AGFPNKVRBWPRKB-NRFANRHFSA-N 0 0 422.569 4.201 40 0 HIABRN Cc1cc(C)c(C)c(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)c1 ZINC000224101625 568569989 /nfs/dbraw/zinc/56/99/89/568569989.db2.gz VMKKWGALNJQLQH-OAQYLSRUSA-N 0 0 410.558 4.180 40 0 HIABRN Cc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 ZINC000224108153 568570232 /nfs/dbraw/zinc/57/02/32/568570232.db2.gz MERSIWTVVFBJJB-SFHVURJKSA-N 0 0 408.523 4.311 40 0 HIABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1F ZINC000224107920 568570240 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HIABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000224124682 568570875 /nfs/dbraw/zinc/57/08/75/568570875.db2.gz WQWFKBSHGSLHBZ-JOCHJYFZSA-N 0 0 410.558 4.306 40 0 HIABRN COC(=O)c1cc(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)ccc1Cl ZINC000224125391 568570877 /nfs/dbraw/zinc/57/08/77/568570877.db2.gz VVJRUBWXFCICGK-UHFFFAOYSA-N 0 0 411.907 4.368 40 0 HIABRN Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@H](C)c3ccccc3)c2)c1 ZINC000224132881 568571027 /nfs/dbraw/zinc/57/10/27/568571027.db2.gz IACSIYUJXJPEAV-GOSISDBHSA-N 0 0 408.523 4.311 40 0 HIABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2cccc(OC(C)C)c2)cc1 ZINC000224133058 568571091 /nfs/dbraw/zinc/57/10/91/568571091.db2.gz FIWUTIIIOCGMED-JCMHNJIXSA-N 0 0 420.465 4.485 40 0 HIABRN Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3F)c2)c1 ZINC000224135362 568571125 /nfs/dbraw/zinc/57/11/25/568571125.db2.gz AQUDASUHTDDGJK-UHFFFAOYSA-N 0 0 416.449 4.351 40 0 HIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000224135299 568571210 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CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1C ZINC000224182364 568572802 /nfs/dbraw/zinc/57/28/02/568572802.db2.gz IZBLXGKYNYJLGB-JOCHJYFZSA-N 0 0 412.599 4.480 40 0 HIABRN Cc1ccc(CN(C(=O)CCCOc2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224195056 568573191 /nfs/dbraw/zinc/57/31/91/568573191.db2.gz CSUAVZQUXOXDFR-OAQYLSRUSA-N 0 0 410.558 4.344 40 0 HIABRN Cc1cc(C(=O)NC2CCCC2)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224214264 568573984 /nfs/dbraw/zinc/57/39/84/568573984.db2.gz QLIRODVDZZNFKJ-UHFFFAOYSA-N 0 0 406.935 4.146 40 0 HIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Oc1cccc2c1CCCC2 ZINC000224223774 568574202 /nfs/dbraw/zinc/57/42/02/568574202.db2.gz VVJCDYSVFNKDCG-OAHLLOKOSA-N 0 0 411.527 4.493 40 0 HIABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1F ZINC000224221531 568574220 /nfs/dbraw/zinc/57/42/20/568574220.db2.gz YFSZCNKEIDSTEP-OAQYLSRUSA-N 0 0 416.562 4.311 40 0 HIABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1 ZINC000224241569 568574975 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O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000006888896 557729102 /nfs/dbraw/zinc/72/91/02/557729102.db2.gz VOXAIVRHBBEMQQ-UHFFFAOYSA-N 0 0 413.326 4.420 40 0 HIABRN CC(C)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 ZINC000408707328 557734812 /nfs/dbraw/zinc/73/48/12/557734812.db2.gz JCZDVLIIWCOYCX-QGZVFWFLSA-N 0 0 415.331 4.242 40 0 HIABRN CSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000007264862 557738485 /nfs/dbraw/zinc/73/84/85/557738485.db2.gz YFTUYJBSBLSGAR-UHFFFAOYSA-N 0 0 410.948 4.099 40 0 HIABRN CCOc1ccc(CNC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000408709851 557738668 /nfs/dbraw/zinc/73/86/68/557738668.db2.gz YDHQKLFNPSFJTG-UHFFFAOYSA-N 0 0 400.784 4.012 40 0 HIABRN Cc1ccccc1-c1nc(SCC(=O)Nc2ccccc2Br)n[nH]1 ZINC000007342010 557739239 /nfs/dbraw/zinc/73/92/39/557739239.db2.gz XNAAUQPVYFXGQR-UHFFFAOYSA-N 0 0 403.305 4.273 40 0 HIABRN O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000007670111 557754917 /nfs/dbraw/zinc/75/49/17/557754917.db2.gz IVAGTULSVSDSEA-UHFFFAOYSA-N 0 0 400.434 4.494 40 0 HIABRN C[C@H](Oc1cccc(Cl)c1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000007759808 557759753 /nfs/dbraw/zinc/75/97/53/557759753.db2.gz MZWGRFDZGRUXHX-LBPRGKRZSA-N 0 0 406.269 4.469 40 0 HIABRN CC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C)c3ccccc32)c1 ZINC000408720001 557767670 /nfs/dbraw/zinc/76/76/70/557767670.db2.gz UTYVKDSQQHQWHL-ZCOIRKDISA-N 0 0 407.469 4.460 40 0 HIABRN CCOc1cc(CNc2nnnn2C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008253965 557778319 /nfs/dbraw/zinc/77/83/19/557778319.db2.gz GCAYZBJYJKBAEZ-UHFFFAOYSA-N 0 0 408.289 4.107 40 0 HIABRN CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]12 ZINC000408727727 557782791 /nfs/dbraw/zinc/78/27/91/557782791.db2.gz GFGXFJPHEKGUSL-QDBPJBAASA-N 0 0 421.496 4.443 40 0 HIABRN CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]12 ZINC000408729329 557788609 /nfs/dbraw/zinc/78/86/09/557788609.db2.gz YZBOKGKNUXYSRF-GMMLXXJASA-N 0 0 421.496 4.443 40 0 HIABRN CC(=O)O[C@H]1CC[C@@H]2[C@@H]3C[C@]4(C)C(=O)C[C@@H](OC(C)=O)CC[C@@]4(C)[C@@H]3CC[C@]21C ZINC000008622301 557797308 /nfs/dbraw/zinc/79/73/08/557797308.db2.gz AYFSTNFISNLZKJ-PGFYVAGRSA-N 0 0 404.547 4.462 40 0 HIABRN CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1N ZINC000008645162 557798188 /nfs/dbraw/zinc/79/81/88/557798188.db2.gz VHPFEBCVCJEPFH-UHFFFAOYSA-N 0 0 422.341 4.259 40 0 HIABRN Cc1ccc(C2=N/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)cc3)C(=O)O2)cc1 ZINC000408737505 557799986 /nfs/dbraw/zinc/79/99/86/557799986.db2.gz STYGECQFJYNCCO-QNGOZBTKSA-N 0 0 419.458 4.107 40 0 HIABRN O=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1Cc1ccc(Br)cc1 ZINC000009233469 557830967 /nfs/dbraw/zinc/83/09/67/557830967.db2.gz UVBMBULHYVCLFI-LZYBPNLTSA-N 0 0 418.268 4.414 40 0 HIABRN C[C@@H](O)c1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1 ZINC000036280194 557844716 /nfs/dbraw/zinc/84/47/16/557844716.db2.gz WQOQTHQEKQJZLZ-JDSLSITLSA-N 0 0 420.391 4.442 40 0 HIABRN CSc1ccc([C@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H](C)Nc3ncnn32)cc1 ZINC000036701669 557849863 /nfs/dbraw/zinc/84/98/63/557849863.db2.gz VMMSMLMNWRDMPZ-RZAIGCCYSA-N 0 0 413.934 4.312 40 0 HIABRN Cc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 ZINC000010111963 557855348 /nfs/dbraw/zinc/85/53/48/557855348.db2.gz ZMQVEQHCUMALJB-ROUUACIJSA-N 0 0 416.587 4.324 40 0 HIABRN COc1ccc([C@H]2Cc3c(cnn3-c3nc4ccccc4s3)C(=O)C2)cc1OC ZINC000010156822 557856063 /nfs/dbraw/zinc/85/60/63/557856063.db2.gz GBPXAEDJRCACLQ-AWEZNQCLSA-N 0 0 405.479 4.412 40 0 HIABRN O=C(Nc1ccc(N2CCCC2)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000010427804 557862105 /nfs/dbraw/zinc/86/21/05/557862105.db2.gz HFOYZBTWVAUIDN-UHFFFAOYSA-N 0 0 421.522 4.340 40 0 HIABRN Cc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010449076 557862472 /nfs/dbraw/zinc/86/24/72/557862472.db2.gz WSATUVCAJPUZOQ-UHFFFAOYSA-N 0 0 420.534 4.088 40 0 HIABRN Cc1nc(C)c(C(=O)N2CCC([C@@H]3CCCCN(CCc4ccccc4)C3=O)CC2)o1 ZINC000019743984 558264509 /nfs/dbraw/zinc/26/45/09/558264509.db2.gz BQVHORHXLLGKCH-QFIPXVFZSA-N 0 0 423.557 4.015 40 0 HIABRN COc1ccc(OC)c(NC(=O)c2nnc3c(-c4ccc(Cl)cc4)cnn3c2C)c1 ZINC000019817096 558287502 /nfs/dbraw/zinc/28/75/02/558287502.db2.gz ZRJIKVOVYGNZHR-UHFFFAOYSA-N 0 0 423.860 4.023 40 0 HIABRN CC[C@@H](NC(=O)[C@@H](CC)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000019934077 558311393 /nfs/dbraw/zinc/31/13/93/558311393.db2.gz FITCJATZKXXPOE-WOJBJXKFSA-N 0 0 422.978 4.461 40 0 HIABRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)c(F)c2)C2CCCCC2)cc1 ZINC000020010555 558318934 /nfs/dbraw/zinc/31/89/34/558318934.db2.gz IEBTZKCCTPCRSA-UHFFFAOYSA-N 0 0 422.497 4.235 40 0 HIABRN C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)NC(C)(C)C)cc1)c1ccc(Cl)cc1 ZINC000020024094 558321869 /nfs/dbraw/zinc/32/18/69/558321869.db2.gz VGMMVEDDIVSOQR-OAHLLOKOSA-N 0 0 422.978 4.227 40 0 HIABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C ZINC000020035713 558324974 /nfs/dbraw/zinc/32/49/74/558324974.db2.gz LWVZFLQSKHDTBJ-CQSZACIVSA-N 0 0 401.459 4.020 40 0 HIABRN CC[C@@H](NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc(C)cc1 ZINC000020042360 558326303 /nfs/dbraw/zinc/32/63/03/558326303.db2.gz QUFHTIDFFISQLJ-UYAOXDASSA-N 0 0 402.560 4.034 40 0 HIABRN CC[C@@H](NC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc(C)cc1 ZINC000020043111 558326503 /nfs/dbraw/zinc/32/65/03/558326503.db2.gz MQMVDTOZGPTBQT-VQIMIIECSA-N 0 0 422.978 4.379 40 0 HIABRN CS(=O)(=O)Nc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)c(Cl)c1 ZINC000020047225 558327804 /nfs/dbraw/zinc/32/78/04/558327804.db2.gz KTMQZDFIDDMIAT-UHFFFAOYSA-N 0 0 414.914 4.231 40 0 HIABRN O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC[C@H](c2nnc(-c3ccncc3)[nH]2)C1 ZINC000012115750 558327972 /nfs/dbraw/zinc/32/79/72/558327972.db2.gz BDVSDTBRXSNMBM-QHCPKHFHSA-N 0 0 423.520 4.482 40 0 HIABRN CCn1c2ccccc2nc1N1CCC(C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000012116375 558328589 /nfs/dbraw/zinc/32/85/89/558328589.db2.gz XEKNCGRUPILTPS-UHFFFAOYSA-N 0 0 415.541 4.113 40 0 HIABRN COc1cccc(-c2cccc(NS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)c2)c1 ZINC000012117126 558328720 /nfs/dbraw/zinc/32/87/20/558328720.db2.gz HHCQUAOWWXYLEA-UHFFFAOYSA-N 0 0 408.479 4.048 40 0 HIABRN Cc1sc2nc(C3CC3)n(C3CCN(C(=O)[C@H]4CC=CCC4)CC3)c(=O)c2c1C ZINC000012132664 558333260 /nfs/dbraw/zinc/33/32/60/558333260.db2.gz HDOXHHNLDUGETD-KRWDZBQOSA-N 0 0 411.571 4.472 40 0 HIABRN Cc1ccc([C@@H](C)C(=O)N2CCC[C@H](Cn3nc(-c4cccs4)ccc3=O)C2)cc1 ZINC000012145174 558336318 /nfs/dbraw/zinc/33/63/18/558336318.db2.gz HJCYPKKSAWQMPQ-MOPGFXCFSA-N 0 0 421.566 4.323 40 0 HIABRN Cc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000020112669 558336517 /nfs/dbraw/zinc/33/65/17/558336517.db2.gz CZMHNROIKLSLAH-UHFFFAOYSA-N 0 0 414.571 4.140 40 0 HIABRN Cc1sc2nc(Cc3ccccc3)n(C3CCN(C(=O)C(C)C)CC3)c(=O)c2c1C ZINC000012145315 558336547 /nfs/dbraw/zinc/33/65/47/558336547.db2.gz MWDFQEMOOQEVQK-UHFFFAOYSA-N 0 0 423.582 4.485 40 0 HIABRN COc1cccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2Cl)c1 ZINC000020152630 558341476 /nfs/dbraw/zinc/34/14/76/558341476.db2.gz BUOUMGKEFHFTNF-UHFFFAOYSA-N 0 0 416.886 4.228 40 0 HIABRN CCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(C)c2)c1 ZINC000020152665 558341554 /nfs/dbraw/zinc/34/15/54/558341554.db2.gz RWVQUYWHSYACCY-UHFFFAOYSA-N 0 0 410.495 4.273 40 0 HIABRN Cc1ccccc1-c1nc(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)n[nH]1 ZINC000020195641 558345037 /nfs/dbraw/zinc/34/50/37/558345037.db2.gz HVSFHLGHMRENMB-UHFFFAOYSA-N 0 0 410.499 4.076 40 0 HIABRN CC(=O)N1CCc2sccc2[C@@H]1c1ccc(NC(=O)CCn2nc(C)cc2C)cc1 ZINC000012188769 558347415 /nfs/dbraw/zinc/34/74/15/558347415.db2.gz XWJKNSQJKZQXOC-QHCPKHFHSA-N 0 0 422.554 4.084 40 0 HIABRN CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3sc(C)nc3C)cc2n1 ZINC000012230550 558358083 /nfs/dbraw/zinc/35/80/83/558358083.db2.gz DKUQQSGSZWOUMW-AWEZNQCLSA-N 0 0 423.464 4.361 40 0 HIABRN CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3sc(C)nc3C)cc2n1 ZINC000012230553 558358107 /nfs/dbraw/zinc/35/81/07/558358107.db2.gz DKUQQSGSZWOUMW-CQSZACIVSA-N 0 0 423.464 4.361 40 0 HIABRN CCCc1ccc(C(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)s1 ZINC000012242161 558360734 /nfs/dbraw/zinc/36/07/34/558360734.db2.gz VTWKOWBRSNRWRU-UHFFFAOYSA-N 0 0 407.539 4.368 40 0 HIABRN CCOc1ccc(CC(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)cc1 ZINC000012254212 558362513 /nfs/dbraw/zinc/36/25/13/558362513.db2.gz BZTRYDPFNHNEIQ-NRFANRHFSA-N 0 0 416.525 4.310 40 0 HIABRN CCC[C@@H](C)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448748 558364135 /nfs/dbraw/zinc/36/41/35/558364135.db2.gz DPQQVDFAWHCXML-CABCVRRESA-N 0 0 420.962 4.398 40 0 HIABRN C[C@H]1Cc2cc(C(=O)N3CCCCC3)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448673 558364152 /nfs/dbraw/zinc/36/41/52/558364152.db2.gz DAGPOBKVLDJAQC-HNNXBMFYSA-N 0 0 418.946 4.106 40 0 HIABRN CCS(=O)(=O)N1c2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2C[C@@H]1C ZINC000020449083 558364286 /nfs/dbraw/zinc/36/42/86/558364286.db2.gz YIVMCZNNOZSGFJ-NSHDSACASA-N 0 0 413.326 4.346 40 0 HIABRN Cc1cc(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)ccc1N1CCCC1=O ZINC000020455516 558369186 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HIABRN Cc1ccc(CN(C)C(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 ZINC000020462358 558373541 /nfs/dbraw/zinc/37/35/41/558373541.db2.gz ZCZINICBUUGJSS-UHFFFAOYSA-N 0 0 422.550 4.233 40 0 HIABRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1cccc(Cl)c1 ZINC000020634784 558395519 /nfs/dbraw/zinc/39/55/19/558395519.db2.gz CMDISPPIDMPTLU-SFHVURJKSA-N 0 0 412.873 4.169 40 0 HIABRN CCCCN1c2nc3ccccc3n2[C@H](c2ccccc2C)[C@H](C(=O)OCC)C1=O ZINC000020675179 558399513 /nfs/dbraw/zinc/39/95/13/558399513.db2.gz MHBPTAZQOWZQOX-LEWJYISDSA-N 0 0 405.498 4.260 40 0 HIABRN CCn1cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)c(=O)c2cc(C)ccc21 ZINC000022234741 558470181 /nfs/dbraw/zinc/47/01/81/558470181.db2.gz OLHXETPUVBSILR-UHFFFAOYSA-N 0 0 400.862 4.253 40 0 HIABRN COc1ccc(CCNC(=O)c2sc(Nc3ccc(F)cc3)nc2C)cc1OC ZINC000022245716 558472146 /nfs/dbraw/zinc/47/21/46/558472146.db2.gz HXQHZWMRWRPDDA-UHFFFAOYSA-N 0 0 415.490 4.324 40 0 HIABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1C ZINC000022330410 558479749 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CC[C@@H](NC(=O)c1cc2nccc(-c3ccc(F)cc3)n2n1)c1c(C)nn(CC)c1C ZINC000019664189 558954876 /nfs/dbraw/zinc/95/48/76/558954876.db2.gz RLKLGOOVAUXKCR-GOSISDBHSA-N 0 0 420.492 4.250 40 0 HIABRN COc1ccccc1-c1nccnc1[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC000072359194 558954984 /nfs/dbraw/zinc/95/49/84/558954984.db2.gz XAXWEEPAHOWGOM-IBGZPJMESA-N 0 0 417.509 4.327 40 0 HIABRN COc1ccc(CC(=O)N2CCC(c3cncc(-c4ccccc4C)n3)CC2)cc1 ZINC000072359623 558955126 /nfs/dbraw/zinc/95/51/26/558955126.db2.gz TUKBLANWPQFRGB-UHFFFAOYSA-N 0 0 401.510 4.409 40 0 HIABRN COc1cccc(-c2cncc([C@@H]3CCCN(C(=O)CCc4ccccc4)C3)n2)c1 ZINC000072359461 558955150 /nfs/dbraw/zinc/95/51/50/558955150.db2.gz JJQWXUUNOBWDMJ-OAQYLSRUSA-N 0 0 401.510 4.491 40 0 HIABRN COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)c2cc(-c3cccc(F)c3)no2)cc1 ZINC000019666765 558956418 /nfs/dbraw/zinc/95/64/18/558956418.db2.gz KCPZBHNWEJZBAE-JOCHJYFZSA-N 0 0 418.428 4.000 40 0 HIABRN O=C(CCc1ccccc1)N1CC[C@@H](c2cc(CCOc3cccc(F)c3)n[nH]2)C1 ZINC000072371264 558957978 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0 HIABRN CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1cc(Cc2ccc(Cl)cc2)cc(C)n1 ZINC000019690911 558960341 /nfs/dbraw/zinc/96/03/41/558960341.db2.gz ZSMAWUHOVWVIBX-OAQYLSRUSA-N 0 0 421.994 4.358 40 0 HIABRN Cc1cc(-c2cncnc2)cc([C@H]2CCCN2C(=O)CCOc2cccc(F)c2)n1 ZINC000019691002 558960626 /nfs/dbraw/zinc/96/06/26/558960626.db2.gz BVGTXLOZQWHPIT-JOCHJYFZSA-N 0 0 406.461 4.119 40 0 HIABRN CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCN(C(=O)c3ccccn3)C2)n1 ZINC000019694590 558963191 /nfs/dbraw/zinc/96/31/91/558963191.db2.gz KIFSHZKMTSIUAR-KRWDZBQOSA-N 0 0 421.932 4.278 40 0 HIABRN CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 ZINC000019694694 558963352 /nfs/dbraw/zinc/96/33/52/558963352.db2.gz XBUORDBQJQKYFB-IBGZPJMESA-N 0 0 404.489 4.369 40 0 HIABRN CN(C)c1ncc(-c2ccc(F)cc2)c(C2CCN(C(=O)[C@H]3CC=CCC3)CC2)n1 ZINC000019695105 558963699 /nfs/dbraw/zinc/96/36/99/558963699.db2.gz ILKNZQZVRKYCON-IBGZPJMESA-N 0 0 408.521 4.411 40 0 HIABRN CCc1nnc(Nc2cccc([C@H]3CCCN3C(=O)Cc3ccc(F)cc3)n2)s1 ZINC000072375292 558963863 /nfs/dbraw/zinc/96/38/63/558963863.db2.gz KAUGYBQNDTVWAD-QGZVFWFLSA-N 0 0 411.506 4.284 40 0 HIABRN O=C(c1n[nH]c2c1CCCCC2)N1CCC[C@H]1c1cccc(Nc2nccs2)n1 ZINC000072375401 558963988 /nfs/dbraw/zinc/96/39/88/558963988.db2.gz JZXAWDWAUXNXMG-KRWDZBQOSA-N 0 0 408.531 4.251 40 0 HIABRN Cc1ccccc1CN(C)Cc1nc(C)c2c(n1)N(Cc1ccc(F)cc1)C(=O)CC2 ZINC000019698576 558966186 /nfs/dbraw/zinc/96/61/86/558966186.db2.gz RAEVBGUJNQVTKW-UHFFFAOYSA-N 0 0 418.516 4.344 40 0 HIABRN O=C(CCCc1ccccc1)N1CCCC[C@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072378094 558967300 /nfs/dbraw/zinc/96/73/00/558967300.db2.gz HMDGHJHCYLJAAH-FQEVSTJZSA-N 0 0 402.502 4.087 40 0 HIABRN CC(C)c1nccn1-c1cncc([C@H]2CCCN2C(=O)CCCc2ccccc2)n1 ZINC000072378561 558967525 /nfs/dbraw/zinc/96/75/25/558967525.db2.gz XAHPVTSKONFRCU-OAQYLSRUSA-N 0 0 403.530 4.472 40 0 HIABRN CC(C)c1nccn1-c1cccc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 ZINC000072378924 558967787 /nfs/dbraw/zinc/96/77/87/558967787.db2.gz LPLMGVLGDLYWAN-LJQANCHMSA-N 0 0 406.505 4.479 40 0 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ZINC000016959807 569345092 /nfs/dbraw/zinc/34/50/92/569345092.db2.gz NEYDZIKESXTXOC-UHFFFAOYSA-N 0 0 406.935 4.004 40 0 HIABRN CNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)C2CCCCC2)CC1 ZINC000019700201 569347205 /nfs/dbraw/zinc/34/72/05/569347205.db2.gz XXAIXUQBVUZKDY-UHFFFAOYSA-N 0 0 419.569 4.226 40 0 HIABRN O=C(CCc1c[nH]c2ccccc12)N1CC[C@@H](c2cc(COc3ccccc3)n[nH]2)C1 ZINC000019704661 569347619 /nfs/dbraw/zinc/34/76/19/569347619.db2.gz MAYXUAWJKLWSDW-LJQANCHMSA-N 0 0 414.509 4.419 40 0 HIABRN O=C(CCC1CCCC1)N1CC[C@@H](c2ccc3c(NCc4ccccn4)n[nH]c3n2)C1 ZINC000019704960 569347746 /nfs/dbraw/zinc/34/77/46/569347746.db2.gz NTBHGEPITIBFRA-GOSISDBHSA-N 0 0 418.545 4.251 40 0 HIABRN Cc1nc([C@@]2(O)CCCN(C(=O)C(C)C)CC2)sc1CCOc1ccccc1F ZINC000019738782 569348595 /nfs/dbraw/zinc/34/85/95/569348595.db2.gz FCVWIERQQKVJMF-JOCHJYFZSA-N 0 0 420.550 4.068 40 0 HIABRN CCN(CC)C(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(F)cc3)ccc2s1 ZINC000028209158 569350185 /nfs/dbraw/zinc/35/01/85/569350185.db2.gz XMCCSODFXZVWBJ-UHFFFAOYSA-N 0 0 420.531 4.348 40 0 HIABRN CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)N[C@@H](C)c1ccccc1 ZINC000033619030 569350756 /nfs/dbraw/zinc/35/07/56/569350756.db2.gz SMPVSAFWYDGKIG-SFHVURJKSA-N 0 0 424.570 4.463 40 0 HIABRN CCn1c(CNC(=O)c2ccccc2C)nnc1SCc1ccc(Cl)cc1 ZINC000033646510 569350857 /nfs/dbraw/zinc/35/08/57/569350857.db2.gz TVZMFTOZCDDHFF-UHFFFAOYSA-N 0 0 400.935 4.482 40 0 HIABRN CCOc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)c1 ZINC000033702897 569351115 /nfs/dbraw/zinc/35/11/15/569351115.db2.gz ORSOWDNWBNGOPT-YVLHZVERSA-N 0 0 416.886 4.414 40 0 HIABRN O=C(CN1C(=O)S/C(=C/c2c[nH]c3ccccc23)C1=O)Nc1ccc(F)cc1F ZINC000038173275 569351742 /nfs/dbraw/zinc/35/17/42/569351742.db2.gz XIELDTZZCSRRQN-REZTVBANSA-N 0 0 413.405 4.121 40 0 HIABRN COC(CC[C@]1(O)[C@H]2C[C@H]2[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)OC ZINC000095092856 569352563 /nfs/dbraw/zinc/35/25/63/569352563.db2.gz TWVVMYRGRXFHHG-VSELMPFGSA-N 0 0 404.591 4.296 40 0 HIABRN Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c1 ZINC000108003861 569353306 /nfs/dbraw/zinc/35/33/06/569353306.db2.gz NFGOWZKUHLRHHE-GOSISDBHSA-N 0 0 424.522 4.052 40 0 HIABRN COc1cc(C(=O)Nc2ccc(Br)cc2)cc(Br)c1OC ZINC000108094723 569353347 /nfs/dbraw/zinc/35/33/47/569353347.db2.gz JFORBODOBNQFJV-UHFFFAOYSA-N 0 0 415.081 4.481 40 0 HIABRN O=C(CN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O)N1CCCCCC1 ZINC000108174873 569353469 /nfs/dbraw/zinc/35/34/69/569353469.db2.gz VSXCEKBOQJCLRF-DHDCSXOGSA-N 0 0 413.326 4.432 40 0 HIABRN C[C@@H](COc1ccc(Cl)cc1)NC(=O)c1cc(-c2ccnn2C)nc2ccccc21 ZINC000141546086 569354610 /nfs/dbraw/zinc/35/46/10/569354610.db2.gz KQXSVCVCZFJTDT-HNNXBMFYSA-N 0 0 420.900 4.486 40 0 HIABRN Cc1c(Cl)cccc1NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000149086642 569355161 /nfs/dbraw/zinc/35/51/61/569355161.db2.gz NOGGUKIMXNEVCO-UHFFFAOYSA-N 0 0 421.733 4.360 40 0 HIABRN COc1ccccc1NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 ZINC000144368217 569355188 /nfs/dbraw/zinc/35/51/88/569355188.db2.gz UFEANSUAPMRHLN-UHFFFAOYSA-N 0 0 424.522 4.146 40 0 HIABRN CCOC(=O)CN1C(=O)S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O ZINC000205691547 569355570 /nfs/dbraw/zinc/35/55/70/569355570.db2.gz DYPPYCGKERUOCU-UDWIEESQSA-N 0 0 420.490 4.289 40 0 HIABRN COc1ccc(Cn2c3nnc(-c4c[nH]c5ccccc45)n3c3ccccc3c2=O)cc1 ZINC000009252120 569392114 /nfs/dbraw/zinc/39/21/14/569392114.db2.gz DPGJHKQCYVPCLC-UHFFFAOYSA-N 0 0 421.460 4.249 40 0 HIABRN COc1ccccc1Cc1cnc([C@@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3)C2)o1 ZINC000257260840 569397833 /nfs/dbraw/zinc/39/78/33/569397833.db2.gz LEQUYZDLAPXTSM-HXUWFJFHSA-N 0 0 406.482 4.352 40 0 HIABRN O=C(CCc1ccc(Cl)cc1)N[C@H]1CC[C@]2(CCC(=O)N2)[C@@H](c2ccccc2)C1 ZINC000019740293 569429463 /nfs/dbraw/zinc/42/94/63/569429463.db2.gz FNOWZDXTLCQDAV-IMSXRSKXSA-N 0 0 410.945 4.374 40 0 HIABRN Cc1nc([C@@H]2CCCCN2C(=O)c2ccccc2)ncc1C(=O)NCc1ccccc1 ZINC000019764421 569429687 /nfs/dbraw/zinc/42/96/87/569429687.db2.gz QPGJGXOQZCNYQL-QFIPXVFZSA-N 0 0 414.509 4.082 40 0 HIABRN CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2ccccc2)CC1 ZINC000021576588 571041306 /nfs/dbraw/zinc/04/13/06/571041306.db2.gz ICPHLXSVCHKNEB-FMIVXFBMSA-N 0 0 411.933 4.441 40 0 HIABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2)cc(C(F)(F)F)n1 ZINC000329041296 571305973 /nfs/dbraw/zinc/30/59/73/571305973.db2.gz SHVAMGXFGFWFKX-GFCCVEGCSA-N 0 0 408.346 4.687 40 0 HIABRN COC(=O)c1ccc(Nc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)cc1 ZINC000328983176 571306817 /nfs/dbraw/zinc/30/68/17/571306817.db2.gz HEMPVEHCEMNIRT-UHFFFAOYSA-N 0 0 403.486 4.813 40 0 HIABRN Cc1cccc(Nc2cc(C)nc([C@H]3CCCCN3C(=O)/C=C/c3ccccc3)n2)n1 ZINC000585292442 571308856 /nfs/dbraw/zinc/30/88/56/571308856.db2.gz MIFSEHOGUJDSIR-IBUXMESJSA-N 0 0 413.525 4.999 40 0 HIABRN C/C(=C\COc1ccc2ccc(=O)oc2c1)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]1(C)O ZINC000105426804 291260452 /nfs/dbraw/zinc/26/04/52/291260452.db2.gz HBYBDKQFQLMBGU-CWMROXFSSA-N 0 0 400.515 4.446 40 0 biogenic,in-vitro HIABRN CC1=C[C@@H](CNC(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)NCc1ccccn1 ZINC000030881139 291262458 /nfs/dbraw/zinc/26/24/58/291262458.db2.gz PQYAWMPAHUIQOS-FIXSFTCYSA-N 0 0 419.569 4.373 40 0 biogenic,in-vitro HIABRN CC(=O)Nc1ccc(CN2CCOC[C@H]2c2nc(-c3cccc(Cl)c3)c[nH]2)cc1 ZINC000096296209 291260871 /nfs/dbraw/zinc/26/08/71/291260871.db2.gz IKHPXSMRLXXCDS-NRFANRHFSA-N 0 0 410.905 4.262 40 0 biogenic,in-vitro HIABRN CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(/C=C/c3ccc(Cl)cc3)ccc12 ZINC000004237256 291261911 /nfs/dbraw/zinc/26/19/11/291261911.db2.gz MMXCSGNKVZUBFL-LPRVLWEOSA-N 0 0 411.933 4.209 40 0 biogenic,in-vitro HIABRN CC[C@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@H]1CC(=O)NCc1ccccc1 ZINC000005413697 291263519 /nfs/dbraw/zinc/26/35/19/291263519.db2.gz HMXCARKJWFMVFR-PMACEKPBSA-N 0 0 409.530 4.282 40 0 biogenic,in-vitro HIABRN COC(=O)[C@@H]1Cc2ncn(Cc3ccc(Cl)cc3)c2CN1CCCc1ccccc1 ZINC000015707046 291264118 /nfs/dbraw/zinc/26/41/18/291264118.db2.gz FDVPMKGEFZCXFS-QFIPXVFZSA-N 0 0 423.944 4.117 40 0 biogenic,in-vitro HIABRN CSc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)c3ccccc3)C2)cc1 ZINC000004237188 291267224 /nfs/dbraw/zinc/26/72/24/291267224.db2.gz KJMREYWAOMBSDV-FXAWDEMLSA-N 0 0 416.546 4.497 40 0 biogenic,in-vitro HIABRN Cc1cc2nc(CO[C@H]3CN(Cc4cnc5ccccc5c4)C[C@H]3F)[nH]c2cc1C ZINC000096112353 291267908 /nfs/dbraw/zinc/26/79/08/291267908.db2.gz MLYMHCGEUIFTSU-XXBNENTESA-N 0 0 404.489 4.467 40 0 biogenic,in-vitro HIABRN Cc1ccc(NC(=O)N2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000015675816 291268072 /nfs/dbraw/zinc/26/80/72/291268072.db2.gz FQLXPHSLMPQINO-FQEVSTJZSA-N 0 0 414.469 4.408 40 0 biogenic,in-vitro HIABRN Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)NC2CCCCC2)C1 ZINC000008297455 291268502 /nfs/dbraw/zinc/26/85/02/291268502.db2.gz VLIJIYAHUSMBEQ-RBUKOAKNSA-N 0 0 405.542 4.285 40 0 biogenic,in-vitro HIABRN O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)N(Cc2cccs2)C1 ZINC000015674269 291271069 /nfs/dbraw/zinc/27/10/69/291271069.db2.gz MQOPKAFOKMJGBI-DOMZBBRYSA-N 0 0 411.405 4.005 40 0 biogenic,in-vitro HIABRN CCCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)c1 ZINC000001840355 132248156 /nfs/dbraw/zinc/24/81/56/132248156.db2.gz JQMFQKKRHFRAAR-UHFFFAOYSA-N 0 0 409.530 4.032 40 0 HIABRN CCOC(=O)[C@H]1[C@@H]2NC(=S)N(c3cccc(C)c3)[C@@]1(C)Oc1ccc(Cl)cc12 ZINC000004193201 132272935 /nfs/dbraw/zinc/27/29/35/132272935.db2.gz SEYRMKQUGLKBGE-OPYAIIAOSA-N 0 0 416.930 4.372 40 0 HIABRN O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc(N3CCN(c4ccccc4)CC3)ncc21 ZINC000004747505 132287034 /nfs/dbraw/zinc/28/70/34/132287034.db2.gz IGIFVJCDUCODHC-SFHVURJKSA-N 0 0 418.928 4.369 40 0 HIABRN Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1N1CCCCS1(=O)=O ZINC000005135896 132302015 /nfs/dbraw/zinc/30/20/15/132302015.db2.gz NYEHTDFJQHNSTP-UHFFFAOYSA-N 0 0 413.326 4.484 40 0 HIABRN Cc1cc(C(=O)N2CCCc3ccccc32)ccc1NS(=O)(=O)c1ccccc1 ZINC000010112448 132345173 /nfs/dbraw/zinc/34/51/73/132345173.db2.gz DBSFFKPFDLPNPL-UHFFFAOYSA-N 0 0 406.507 4.389 40 0 HIABRN COc1cc2cc(CNc3ccc(N4CCC[C@H](C)C4)cc3)c(=O)[nH]c2cc1OC ZINC000012088288 132353611 /nfs/dbraw/zinc/35/36/11/132353611.db2.gz CSXYXVHSKYCHAU-INIZCTEOSA-N 0 0 407.514 4.394 40 0 HIABRN CC1CCN(c2ccc(NC(=O)c3ncoc3-c3cccc(F)c3)cc2C(N)=O)CC1 ZINC000012115153 132354268 /nfs/dbraw/zinc/35/42/68/132354268.db2.gz ZHKXFIASVHOEAG-UHFFFAOYSA-N 0 0 422.460 4.068 40 0 HIABRN Cc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCCN4C(=O)C(C)C)cs2)on1 ZINC000012237289 132357522 /nfs/dbraw/zinc/35/75/22/132357522.db2.gz XCPJCLBWXNIYQV-UHFFFAOYSA-N 0 0 410.499 4.294 40 0 HIABRN CC(C)(C)OC(=O)N1CCC[C@@H](COc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000044029845 518805352 /nfs/dbraw/zinc/80/53/52/518805352.db2.gz BBQKMEHKTRAOMQ-GOSISDBHSA-N 0 0 402.535 4.339 40 0 HIABRN CC(C)(C)c1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000021984497 519102853 /nfs/dbraw/zinc/10/28/53/519102853.db2.gz KSHUWTIQLQYASG-UHFFFAOYSA-N 0 0 422.920 4.222 40 0 HIABRN CC(C)NC(=S)Nc1nc(N2Cc3ccccc3C2)cc(N2CCCCCC2)n1 ZINC000225889391 519718884 /nfs/dbraw/zinc/71/88/84/519718884.db2.gz NOAMWUPNZNBCJI-UHFFFAOYSA-N 0 0 410.591 4.072 40 0 HIABRN CCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1 ZINC000020452156 520686878 /nfs/dbraw/zinc/68/68/78/520686878.db2.gz QLRIRRVHBAAVDT-OAHLLOKOSA-N 0 0 416.543 4.353 40 0 HIABRN CCCCOC(=O)c1ccc(NC(=O)c2snnc2-c2ccc(OC)cc2)cc1 ZINC000225763740 520725618 /nfs/dbraw/zinc/72/56/18/520725618.db2.gz OLFLTXYUAVRRNY-UHFFFAOYSA-N 0 0 411.483 4.423 40 0 HIABRN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)CC(C)(C)c3ccccc3)ccc21 ZINC000225788463 521157056 /nfs/dbraw/zinc/15/70/56/521157056.db2.gz YITCFZQQVJBZCA-QGZVFWFLSA-N 0 0 414.571 4.020 40 0 HIABRN CCOC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1Cl ZINC000020461360 521496678 /nfs/dbraw/zinc/49/66/78/521496678.db2.gz KHOQSBHBPOFFQO-UHFFFAOYSA-N 0 0 412.667 4.297 40 0 HIABRN CCCc1ncc(-c2ccncc2C)c([C@H]2CCCN2C(=O)c2c(C)noc2C)n1 ZINC000072390636 521544113 /nfs/dbraw/zinc/54/41/13/521544113.db2.gz XDTWPOWDWSNLJN-LJQANCHMSA-N 0 0 405.502 4.382 40 0 HIABRN CCOC(=O)c1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)c1 ZINC000225683407 521545530 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/nfs/dbraw/zinc/52/09/24/568520924.db2.gz NWPWSLJIPYQBFK-UHFFFAOYSA-N 0 0 405.560 4.437 40 0 HIABRN COc1ccc(NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc1Cl ZINC000222630350 568521435 /nfs/dbraw/zinc/52/14/35/568521435.db2.gz HLHUBOIFSQWGIQ-UHFFFAOYSA-N 0 0 424.950 4.150 40 0 HIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C)c(C)c1 ZINC000222638832 568521847 /nfs/dbraw/zinc/52/18/47/568521847.db2.gz QKIMVOVAHIPWIS-QFIPXVFZSA-N 0 0 414.521 4.153 40 0 HIABRN CCc1ccc(N(CCCC(=O)Nc2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 ZINC000222641464 568521976 /nfs/dbraw/zinc/52/19/76/568521976.db2.gz NRVPFEOFTVYPSG-UHFFFAOYSA-N 0 0 424.950 4.096 40 0 HIABRN Cc1cc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)ccc1Cl ZINC000222662938 568522700 /nfs/dbraw/zinc/52/27/00/568522700.db2.gz FDQBHTDEHMCYTL-KRWDZBQOSA-N 0 0 416.949 4.359 40 0 HIABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)ccc1C ZINC000222673880 568523154 /nfs/dbraw/zinc/52/31/54/568523154.db2.gz XRDCZLZCONKIJY-OAHLLOKOSA-N 0 0 407.341 4.316 40 0 HIABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSCc1ccccc1F ZINC000222671198 568523158 /nfs/dbraw/zinc/52/31/58/568523158.db2.gz WBMAFGGYHWZJOJ-QGZVFWFLSA-N 0 0 416.562 4.391 40 0 HIABRN CSc1ccc(S(=O)(=O)NCCCc2ccc(C(C)C)cc2)cc1NC(C)=O ZINC000222680462 568523490 /nfs/dbraw/zinc/52/34/90/568523490.db2.gz AEUBAGZIXKEBIB-UHFFFAOYSA-N 0 0 420.600 4.401 40 0 HIABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000222713183 568524453 /nfs/dbraw/zinc/52/44/53/568524453.db2.gz ASFMOUYANNPWTG-LBPRGKRZSA-N 0 0 413.732 4.353 40 0 HIABRN Cc1cccc(CN(C(=O)COc2ccc(C)c(C)c2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222733892 568524992 /nfs/dbraw/zinc/52/49/92/568524992.db2.gz TVGXWGMGOCVSHD-HXUWFJFHSA-N 0 0 410.558 4.323 40 0 HIABRN Cc1cccc(CN(C(=O)COc2ccc(C)cc2C)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222746166 568525450 /nfs/dbraw/zinc/52/54/50/568525450.db2.gz RBGHMNHQNKJITO-FQEVSTJZSA-N 0 0 410.558 4.323 40 0 HIABRN Cc1ccc(CNC(=O)[C@@H](C)N(Cc2ccccc2)C(=O)Cc2ccccc2)cc1 ZINC000222761244 568525800 /nfs/dbraw/zinc/52/58/00/568525800.db2.gz MYDVGWYUNORENH-OAQYLSRUSA-N 0 0 400.522 4.271 40 0 HIABRN C[C@@H](C(=O)NCCc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000222766040 568525861 /nfs/dbraw/zinc/52/58/61/568525861.db2.gz GCLVBEBDDIZFRN-QFIPXVFZSA-N 0 0 414.549 4.395 40 0 HIABRN Cc1ccc(CN(C(=O)COc2ccc(C)c(C)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222769712 568526051 /nfs/dbraw/zinc/52/60/51/568526051.db2.gz NSZJEMMNELJPIG-HXUWFJFHSA-N 0 0 410.558 4.323 40 0 HIABRN Cc1ccc(C)c(N(CCCC(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)c1 ZINC000222781992 568526416 /nfs/dbraw/zinc/52/64/16/568526416.db2.gz JMVZZJMAQXXADK-UHFFFAOYSA-N 0 0 424.566 4.319 40 0 HIABRN CC[C@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000222802298 568526800 /nfs/dbraw/zinc/52/68/00/568526800.db2.gz ROVYEKLUDSVMSR-IBGZPJMESA-N 0 0 403.544 4.034 40 0 HIABRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2C(=O)OC)o1 ZINC000222812469 568527162 /nfs/dbraw/zinc/52/71/62/568527162.db2.gz CCHRYKSAOWFABN-UXHICEINSA-N 0 0 407.495 4.121 40 0 HIABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCCc1ccc(OC)cc1 ZINC000222830515 568527751 /nfs/dbraw/zinc/52/77/51/568527751.db2.gz QMJAPNDSDRHKLF-KRWDZBQOSA-N 0 0 416.949 4.225 40 0 HIABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1F ZINC000222860966 568528736 /nfs/dbraw/zinc/52/87/36/568528736.db2.gz IJVXLCBJSBWHBL-OAHLLOKOSA-N 0 0 420.912 4.190 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc(C)cc1 ZINC000222888253 568529623 /nfs/dbraw/zinc/52/96/23/568529623.db2.gz QVYZOKFLELHSHF-QGZVFWFLSA-N 0 0 418.990 4.435 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000222921963 568531039 /nfs/dbraw/zinc/53/10/39/568531039.db2.gz YGDBRSNYMVTEMA-LJQANCHMSA-N 0 0 404.963 4.127 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1cccc(Cl)c1 ZINC000222938327 568531793 /nfs/dbraw/zinc/53/17/93/568531793.db2.gz ZOLBRYUKUUWSCV-OAHLLOKOSA-N 0 0 422.953 4.266 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CSCc1cccc(Cl)c1 ZINC000222968237 568532629 /nfs/dbraw/zinc/53/26/29/568532629.db2.gz PASXEBGCQYTLAF-FQEVSTJZSA-N 0 0 418.990 4.435 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222983854 568533218 /nfs/dbraw/zinc/53/32/18/568533218.db2.gz ZSOZYTLXWZQSCH-CYBMUJFWSA-N 0 0 411.304 4.228 40 0 HIABRN COc1ccc(C(=O)N2CCc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc32)cc1 ZINC000222984426 568533252 /nfs/dbraw/zinc/53/32/52/568533252.db2.gz DXCYKRVWQHASPP-UHFFFAOYSA-N 0 0 422.506 4.007 40 0 HIABRN COc1ccc(Cl)cc1S(=O)(=O)N1c2ccc(Br)cc2C[C@@H]1C ZINC000223006267 568534105 /nfs/dbraw/zinc/53/41/05/568534105.db2.gz PDODQIYCKLURFX-JTQLQIEISA-N 0 0 416.724 4.251 40 0 HIABRN CC[C@@H](NC(=O)[C@H](CC)Oc1ccc(Cl)c(C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000223033567 568535001 /nfs/dbraw/zinc/53/50/01/568535001.db2.gz QVFKVQWSFKWMSC-UXHICEINSA-N 0 0 423.962 4.477 40 0 HIABRN CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCCc1ccccc1 ZINC000223047004 568535500 /nfs/dbraw/zinc/53/55/00/568535500.db2.gz NHNQPYJBSRRJDQ-RUZDIDTESA-N 0 0 400.522 4.005 40 0 HIABRN COc1cccc(CN(C(=O)Cc2cc(C)ccc2C)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223052227 568535681 /nfs/dbraw/zinc/53/56/81/568535681.db2.gz OJPBFTYGYBEFMO-LJQANCHMSA-N 0 0 410.558 4.187 40 0 HIABRN CCCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccncc1 ZINC000223055965 568535887 /nfs/dbraw/zinc/53/58/87/568535887.db2.gz XGMWUSXOMCYGDW-DEOSSOPVSA-N 0 0 415.537 4.138 40 0 HIABRN CCCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1cccnc1 ZINC000223055886 568535913 /nfs/dbraw/zinc/53/59/13/568535913.db2.gz SRVWQEKVSSMVFH-XMMPIXPASA-N 0 0 415.537 4.138 40 0 HIABRN COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223079035 568536728 /nfs/dbraw/zinc/53/67/28/568536728.db2.gz CVDTWHLKHWXJRG-INIZCTEOSA-N 0 0 416.949 4.223 40 0 HIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccccc1 ZINC000223087037 568537157 /nfs/dbraw/zinc/53/71/57/568537157.db2.gz PWGCSUKIISYTLZ-QZTJIDSGSA-N 0 0 416.562 4.391 40 0 HIABRN COc1ccc(CN(C(=O)Cc2cc(C)ccc2C)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223086596 568537165 /nfs/dbraw/zinc/53/71/65/568537165.db2.gz DOBJCYBFSBNZCM-IBGZPJMESA-N 0 0 410.558 4.187 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223093697 568537327 /nfs/dbraw/zinc/53/73/27/568537327.db2.gz WESXCBWRMZOASA-QFIPXVFZSA-N 0 0 410.558 4.225 40 0 HIABRN CCOc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(OC)cc2)cc1 ZINC000223106786 568537792 /nfs/dbraw/zinc/53/77/92/568537792.db2.gz YUPSTYFJQYZXMJ-QNGOZBTKSA-N 0 0 406.438 4.097 40 0 HIABRN CC[C@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C)c1ccc2c(c1)CCCC2 ZINC000223122490 568538358 /nfs/dbraw/zinc/53/83/58/568538358.db2.gz HFZZFAOUYAPJRH-NRFANRHFSA-N 0 0 414.571 4.151 40 0 HIABRN CC[C@H](NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1)c1ccc2c(c1)CCCC2 ZINC000223122622 568538411 /nfs/dbraw/zinc/53/84/11/568538411.db2.gz SLHPDERUTFFUPD-NRFANRHFSA-N 0 0 414.571 4.151 40 0 HIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1cc(C)ccc1C ZINC000223124767 568538442 /nfs/dbraw/zinc/53/84/42/568538442.db2.gz VEONQWJDWWUXSX-OALUTQOASA-N 0 0 414.521 4.153 40 0 HIABRN CC[C@@H](NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1)c1ccc2c(c1)CCCC2 ZINC000223129819 568538671 /nfs/dbraw/zinc/53/86/71/568538671.db2.gz AUELCCIULVPIHH-OAQYLSRUSA-N 0 0 401.528 4.090 40 0 HIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 ZINC000223130407 568538793 /nfs/dbraw/zinc/53/87/93/568538793.db2.gz DNQZDHHXRHDIHM-RUZDIDTESA-N 0 0 414.549 4.314 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCCOc1ccccc1 ZINC000223135945 568539033 /nfs/dbraw/zinc/53/90/33/568539033.db2.gz AFVYMUUEPZIMPI-HXUWFJFHSA-N 0 0 402.922 4.052 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1 ZINC000223152581 568539586 /nfs/dbraw/zinc/53/95/86/568539586.db2.gz SSCOQQJHNZJVJT-LJQANCHMSA-N 0 0 404.963 4.127 40 0 HIABRN CC[C@@H](C(=O)NC(C)(C)Cc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223202348 568540971 /nfs/dbraw/zinc/54/09/71/568540971.db2.gz BAZQKPFTSSWWGT-IBGZPJMESA-N 0 0 422.978 4.022 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223228142 568541725 /nfs/dbraw/zinc/54/17/25/568541725.db2.gz ALHGZLGZARDZQD-NRFANRHFSA-N 0 0 414.521 4.055 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223228002 568541761 /nfs/dbraw/zinc/54/17/61/568541761.db2.gz TWAYIZIILPQYGX-IBGZPJMESA-N 0 0 420.912 4.028 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)cc1 ZINC000223235408 568542008 /nfs/dbraw/zinc/54/20/08/568542008.db2.gz YKKVJQPCRALVST-SFHVURJKSA-N 0 0 416.949 4.361 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1C(C)(C)C ZINC000223237705 568542080 /nfs/dbraw/zinc/54/20/80/568542080.db2.gz YATJKVUPCCIMGR-HXUWFJFHSA-N 0 0 414.521 4.055 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F ZINC000223238073 568542237 /nfs/dbraw/zinc/54/22/37/568542237.db2.gz DHAUKQWMVHCBMK-MRXNPFEDSA-N 0 0 404.913 4.355 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(OC)cc1 ZINC000223275086 568543612 /nfs/dbraw/zinc/54/36/12/568543612.db2.gz QMKXNYSOFGKZJW-IBGZPJMESA-N 0 0 423.340 4.098 40 0 HIABRN Fc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C[C@@H]1CCCO1 ZINC000223317785 568545010 /nfs/dbraw/zinc/54/50/10/568545010.db2.gz UBSUEKRDEWLBAO-KNXBSLHKSA-N 0 0 422.529 4.163 40 0 HIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(-c3ccccc3)c2)N1C[C@@H]1CCCO1 ZINC000223327044 568545359 /nfs/dbraw/zinc/54/53/59/568545359.db2.gz PAVFAAPFYNZABX-ILWGZMRPSA-N 0 0 404.539 4.024 40 0 HIABRN Cc1cc2c(cc1S(=O)(=O)Nc1ccc(Oc3ccccc3)cc1)oc(=O)n2C ZINC000223336832 568545640 /nfs/dbraw/zinc/54/56/40/568545640.db2.gz JBSVXAYASZBYEG-UHFFFAOYSA-N 0 0 410.451 4.033 40 0 HIABRN COc1ccccc1CNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(C)=O ZINC000223336666 568545642 /nfs/dbraw/zinc/54/56/42/568545642.db2.gz YHGVCFDHKKKBOZ-DEOSSOPVSA-N 0 0 402.494 4.101 40 0 HIABRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)n1-c1cccnc1 ZINC000223338879 568545745 /nfs/dbraw/zinc/54/57/45/568545745.db2.gz PKOYDKPKENJMRI-VXKWHMMOSA-N 0 0 415.522 4.341 40 0 HIABRN CCCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccncc1)c1ccccc1 ZINC000223344991 568546000 /nfs/dbraw/zinc/54/60/00/568546000.db2.gz SWMWBHCVFDACFB-XMMPIXPASA-N 0 0 401.510 4.268 40 0 HIABRN CC(C)C(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccccn1)c1ccccc1 ZINC000223349249 568546033 /nfs/dbraw/zinc/54/60/33/568546033.db2.gz BLIYCDPLXOQBGI-HSZRJFAPSA-N 0 0 401.510 4.124 40 0 HIABRN CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1 ZINC000223364375 568546583 /nfs/dbraw/zinc/54/65/83/568546583.db2.gz ADXSLRBROUYRPC-RUZDIDTESA-N 0 0 416.521 4.362 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(OC)cc1 ZINC000223363715 568546607 /nfs/dbraw/zinc/54/66/07/568546607.db2.gz VMKDONXJENICCL-LJQANCHMSA-N 0 0 423.340 4.098 40 0 HIABRN COc1cc(C)c([C@@H](C)NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1C(C)C ZINC000223366492 568546651 /nfs/dbraw/zinc/54/66/51/568546651.db2.gz ORQZHDWPRQWECU-MRXNPFEDSA-N 0 0 418.559 4.014 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 ZINC000223371433 568546801 /nfs/dbraw/zinc/54/68/01/568546801.db2.gz CZJVRQOJPXLTQL-LJQANCHMSA-N 0 0 407.341 4.398 40 0 HIABRN COCCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C ZINC000223381261 568547022 /nfs/dbraw/zinc/54/70/22/568547022.db2.gz HNRSHAIEAXMALD-DHIUTWEWSA-N 0 0 420.582 4.319 40 0 HIABRN Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N(C)Cc4ccccc4)ccc32)cc1 ZINC000223377079 568547035 /nfs/dbraw/zinc/54/70/35/568547035.db2.gz WQZKFAMHHXCORR-UHFFFAOYSA-N 0 0 420.534 4.019 40 0 HIABRN CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000223379060 568547043 /nfs/dbraw/zinc/54/70/43/568547043.db2.gz JIFQSFBGHUXJCF-UHFFFAOYSA-N 0 0 424.497 4.244 40 0 HIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C[C@@H]2CCCO2)N1Cc1ccccc1 ZINC000223378272 568547053 /nfs/dbraw/zinc/54/70/53/568547053.db2.gz AVNBFCSMUPMQCJ-VJBMBRPKSA-N 0 0 418.566 4.235 40 0 HIABRN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3ccc(Cl)cc3)o2)cc1 ZINC000223403531 568547531 /nfs/dbraw/zinc/54/75/31/568547531.db2.gz NYIOESBRQYEKAB-UHFFFAOYSA-N 0 0 418.902 4.314 40 0 HIABRN Cc1cc(C(=O)NCCSC2CCCC2)ccc1NS(=O)(=O)c1ccccc1 ZINC000223412222 568547834 /nfs/dbraw/zinc/54/78/34/568547834.db2.gz WZOVPRSMFKBWHB-UHFFFAOYSA-N 0 0 418.584 4.201 40 0 HIABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCCCOC)c1ccccc1 ZINC000223413273 568548010 /nfs/dbraw/zinc/54/80/10/568548010.db2.gz CDKHHSBKEYFDMX-JOCHJYFZSA-N 0 0 416.949 4.363 40 0 HIABRN Cc1cc(C)c([C@H](C)NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1C ZINC000223414881 568548140 /nfs/dbraw/zinc/54/81/40/568548140.db2.gz BCSARCCHLLSKSU-KRWDZBQOSA-N 0 0 422.978 4.217 40 0 HIABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1C1CC1 ZINC000223452807 568549270 /nfs/dbraw/zinc/54/92/70/568549270.db2.gz LZERIQWYISSPCG-VXKWHMMOSA-N 0 0 403.555 4.403 40 0 HIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2ccco2)N1Cc1cccnc1 ZINC000223455406 568549302 /nfs/dbraw/zinc/54/93/02/568549302.db2.gz PEXLYBWWUHDSTD-FCHUYYIVSA-N 0 0 415.522 4.092 40 0 HIABRN COc1cc(C)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C(C)C ZINC000223464818 568549643 /nfs/dbraw/zinc/54/96/43/568549643.db2.gz DBNBIKKXSHYFOJ-UHFFFAOYSA-N 0 0 422.978 4.291 40 0 HIABRN COc1cc(CNC(=O)CSCc2ccc(Cl)cc2F)cc(OC)c1OC ZINC000223467652 568549742 /nfs/dbraw/zinc/54/97/42/568549742.db2.gz DDCAMDIRZCLFQJ-UHFFFAOYSA-N 0 0 413.898 4.055 40 0 HIABRN Cc1ccc(C)c(N(CC(=O)NCC2CCCCC2)S(=O)(=O)c2ccccc2)c1 ZINC000223468861 568549781 /nfs/dbraw/zinc/54/97/81/568549781.db2.gz UWWMBUKPNUDJSK-UHFFFAOYSA-N 0 0 414.571 4.195 40 0 HIABRN CC[C@H](C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)N(c1ccccc1F)S(C)(=O)=O ZINC000223481707 568550100 /nfs/dbraw/zinc/55/01/00/568550100.db2.gz VEAOOXQLUUCNKI-FXAWDEMLSA-N 0 0 420.550 4.173 40 0 HIABRN Cc1cc(C)c([C@@H](C)NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1C ZINC000223483716 568550123 /nfs/dbraw/zinc/55/01/23/568550123.db2.gz CISQKWKQMUIKJQ-HXUWFJFHSA-N 0 0 416.587 4.344 40 0 HIABRN CCCC[C@H](CC)CNC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000223502158 568550563 /nfs/dbraw/zinc/55/05/63/568550563.db2.gz AWGUCGRHUKCECL-SFHVURJKSA-N 0 0 420.550 4.354 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000223513590 568550808 /nfs/dbraw/zinc/55/08/08/568550808.db2.gz PUHRSOYQWTWDTG-KRWDZBQOSA-N 0 0 416.949 4.225 40 0 HIABRN COc1ccccc1CNC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C ZINC000223524973 568550913 /nfs/dbraw/zinc/55/09/13/568550913.db2.gz KLZWRTVDVOSCDX-ZHZULCJRSA-N 0 0 406.507 4.152 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccccc1Cl ZINC000223547238 568551380 /nfs/dbraw/zinc/55/13/80/568551380.db2.gz YOZKQJZZUKHEAT-GOSISDBHSA-N 0 0 416.949 4.095 40 0 HIABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(CC)cc1 ZINC000223549129 568551457 /nfs/dbraw/zinc/55/14/57/568551457.db2.gz LCMUVJCEVKHTGK-FQEVSTJZSA-N 0 0 410.558 4.004 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223579121 568552153 /nfs/dbraw/zinc/55/21/53/568552153.db2.gz LBVKCIKRUDIWPR-GOSISDBHSA-N 0 0 416.949 4.361 40 0 HIABRN Cc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCO)o2)cc1Cl ZINC000223596611 568552838 /nfs/dbraw/zinc/55/28/38/568552838.db2.gz JXCJFJAJRLGVCE-PMACEKPBSA-N 0 0 413.930 4.268 40 0 HIABRN Cc1ccc(C)c(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 ZINC000223620657 568553487 /nfs/dbraw/zinc/55/34/87/568553487.db2.gz YPKWMFHKJGVDHS-UHFFFAOYSA-N 0 0 413.543 4.472 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223637368 568554317 /nfs/dbraw/zinc/55/43/17/568554317.db2.gz KQFPFYJXFVBDSM-OAHLLOKOSA-N 0 0 407.341 4.398 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223639518 568554446 /nfs/dbraw/zinc/55/44/46/568554446.db2.gz QDMFPKNZWWOXHF-FQEVSTJZSA-N 0 0 412.599 4.398 40 0 HIABRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)Cc1cccc(Cl)c1 ZINC000223644089 568554643 /nfs/dbraw/zinc/55/46/43/568554643.db2.gz VSHWMKIWVNLWEY-UHFFFAOYSA-N 0 0 412.298 4.005 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1C ZINC000223684316 568556143 /nfs/dbraw/zinc/55/61/43/568556143.db2.gz XYPVRDJARBIRLA-QGZVFWFLSA-N 0 0 418.990 4.435 40 0 HIABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1 ZINC000223699195 568556662 /nfs/dbraw/zinc/55/66/62/568556662.db2.gz MSEKSCRMJVCLLU-QHCPKHFHSA-N 0 0 410.558 4.406 40 0 HIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C ZINC000223702290 568556720 /nfs/dbraw/zinc/55/67/20/568556720.db2.gz ZEIBRUDPPWPTLM-JOCHJYFZSA-N 0 0 410.558 4.406 40 0 HIABRN CCc1ccc(OCC(=O)N(CCc2ccccc2)[C@H](CC)C(=O)NC(C)(C)C)cc1 ZINC000223707968 568556934 /nfs/dbraw/zinc/55/69/34/568556934.db2.gz AJYRWFVMPRHNHH-HSZRJFAPSA-N 0 0 424.585 4.392 40 0 HIABRN CCOc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 ZINC000223718408 568557307 /nfs/dbraw/zinc/55/73/07/568557307.db2.gz XRUDQOSAGWBFHX-UHFFFAOYSA-N 0 0 404.315 4.221 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1c(F)cccc1Cl ZINC000223725739 568557517 /nfs/dbraw/zinc/55/75/17/568557517.db2.gz NACQSWDRUHPICR-ZDUSSCGKSA-N 0 0 411.304 4.228 40 0 HIABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1cccc(Cl)c1 ZINC000223753910 568558044 /nfs/dbraw/zinc/55/80/44/568558044.db2.gz GTARCDNLMRTIJM-KRWDZBQOSA-N 0 0 414.933 4.195 40 0 HIABRN COc1ccc(F)cc1S(=O)(=O)N(C)Cc1cccc(Oc2ccccc2)c1 ZINC000223754800 568558145 /nfs/dbraw/zinc/55/81/45/568558145.db2.gz DUFKKSWONOFZRF-UHFFFAOYSA-N 0 0 401.459 4.447 40 0 HIABRN Cc1ccccc1CN(C(=O)COc1ccccc1C)[C@H](C)C(=O)NC1CCCC1 ZINC000223756801 568558260 /nfs/dbraw/zinc/55/82/60/568558260.db2.gz ACIFQSNKNSXABP-HXUWFJFHSA-N 0 0 408.542 4.158 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223758992 568558313 /nfs/dbraw/zinc/55/83/13/568558313.db2.gz JZRHAVOIFOPUCQ-OAHLLOKOSA-N 0 0 423.340 4.234 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc2ccccc21 ZINC000223758604 568558344 /nfs/dbraw/zinc/55/83/44/568558344.db2.gz RPBVDGYCWCUTJD-KRWDZBQOSA-N 0 0 424.928 4.425 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)cc(C)c1C ZINC000223759723 568558361 /nfs/dbraw/zinc/55/83/61/568558361.db2.gz CGTJXQMLMRRBLW-SFHVURJKSA-N 0 0 416.949 4.197 40 0 HIABRN CSc1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)cc1NC(C)=O ZINC000223779147 568558849 /nfs/dbraw/zinc/55/88/49/568558849.db2.gz HTBJIWLAPRAFNJ-UHFFFAOYSA-N 0 0 420.556 4.489 40 0 HIABRN CCCC[C@@H](CC)CNC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000223787726 568559078 /nfs/dbraw/zinc/55/90/78/568559078.db2.gz ZMUQAMBMCBNNHC-CYBMUJFWSA-N 0 0 409.379 4.092 40 0 HIABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2CCOC)cc1 ZINC000223792007 568559291 /nfs/dbraw/zinc/55/92/91/568559291.db2.gz ZESIIWATIFUENH-FGZHOGPDSA-N 0 0 422.554 4.105 40 0 HIABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)COc1ccccc1 ZINC000223814439 568559743 /nfs/dbraw/zinc/55/97/43/568559743.db2.gz GKVXJPRAKXBZDZ-QGZVFWFLSA-N 0 0 414.933 4.195 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223821808 568559826 /nfs/dbraw/zinc/55/98/26/568559826.db2.gz FSXYMFXPNFAGQV-INIZCTEOSA-N 0 0 420.912 4.028 40 0 HIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1F ZINC000223818153 568559858 /nfs/dbraw/zinc/55/98/58/568559858.db2.gz TUUIQANVJVTAOS-OAQYLSRUSA-N 0 0 402.485 4.231 40 0 HIABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCOc1ccccc1 ZINC000223827511 568560116 /nfs/dbraw/zinc/56/01/16/568560116.db2.gz PBWJJXKENYMNRO-GOSISDBHSA-N 0 0 416.949 4.443 40 0 HIABRN COc1ccc(-c2nnsc2C(=O)OCc2ccc(Br)cc2)cc1 ZINC000223838593 568560423 /nfs/dbraw/zinc/56/04/23/568560423.db2.gz DLTWVHWKBGPFHX-UHFFFAOYSA-N 0 0 405.273 4.333 40 0 HIABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1cccc(Cl)c1 ZINC000223840188 568560426 /nfs/dbraw/zinc/56/04/26/568560426.db2.gz VHXQSAVKINKVHR-HNNXBMFYSA-N 0 0 423.340 4.316 40 0 HIABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(C)cc1C ZINC000223840990 568560624 /nfs/dbraw/zinc/56/06/24/568560624.db2.gz QACZZAZTWRJVJD-GOSISDBHSA-N 0 0 416.949 4.279 40 0 HIABRN COc1cccc(CCCNC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(C)cc2)c1 ZINC000223852699 568560912 /nfs/dbraw/zinc/56/09/12/568560912.db2.gz VEVIDSGTTFUYQM-QJOMJCCJSA-N 0 0 418.493 4.117 40 0 HIABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000223870124 568561394 /nfs/dbraw/zinc/56/13/94/568561394.db2.gz NIBGFWVKJMEMAA-IIBYNOLFSA-N 0 0 411.523 4.278 40 0 HIABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000223888702 568562076 /nfs/dbraw/zinc/56/20/76/568562076.db2.gz JSLZRJFYLRIAEI-KUHUBIRLSA-N 0 0 409.935 4.087 40 0 HIABRN Cc1c(Br)cnc(NC(=S)NCc2ccccc2)c1Br ZINC000223922184 568563026 /nfs/dbraw/zinc/56/30/26/568563026.db2.gz GUGUPDBQABQLPO-UHFFFAOYSA-N 0 0 415.154 4.402 40 0 HIABRN C[C@H](CCc1ccccc1)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000223926299 568563132 /nfs/dbraw/zinc/56/31/32/568563132.db2.gz AMOVTAHPBNBYKM-GOSISDBHSA-N 0 0 408.523 4.239 40 0 HIABRN COc1cc(C)c(S(=O)(=O)NCc2ccc(-n3ccnc3C)cc2)cc1C(C)C ZINC000223950878 568564087 /nfs/dbraw/zinc/56/40/87/568564087.db2.gz MQLAEPFXNMYXIB-UHFFFAOYSA-N 0 0 413.543 4.100 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C ZINC000223964727 568564664 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403.486 4.011 40 0 HIABRN Cc1cc(C)nc(Nc2ccc([C@@H]3CCCN(C(=O)/C=C/c4ccco4)C3)nc2)n1 ZINC000585292338 559124823 /nfs/dbraw/zinc/12/48/23/559124823.db2.gz KTMHVIVXBNHIGD-XSFOEPMVSA-N 0 0 403.486 4.244 40 0 HIABRN O=C(NC[C@H]1CC[C@H](c2nnc(-c3ccccn3)o2)CC1)c1cc2c(cccc2F)[nH]1 ZINC000100156013 559131093 /nfs/dbraw/zinc/13/10/93/559131093.db2.gz LFKBBXQYWDRXGO-GASCZTMLSA-N 0 0 419.460 4.456 40 0 HIABRN Cc1noc(C)c1CC(=O)NC[C@H]1CC[C@H](c2nnc(-c3cccs3)o2)CC1 ZINC000100156287 559131129 /nfs/dbraw/zinc/13/11/29/559131129.db2.gz SVPYEAHACDOVIQ-GASCZTMLSA-N 0 0 400.504 4.036 40 0 HIABRN O=C(CN1Cc2ccccc2C1)NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1 ZINC000100156406 559131279 /nfs/dbraw/zinc/13/12/79/559131279.db2.gz HSPRPKPSCLARSZ-CALCHBBNSA-N 0 0 422.554 4.204 40 0 HIABRN O=C1[C@@H]2[C@@H](/C=C/c3ccccc3)N(c3ccccc3)O[C@@H]2C(=O)N1Cc1ccccc1 ZINC000100562501 559136548 /nfs/dbraw/zinc/13/65/48/559136548.db2.gz QKXCRZKFLOZNRP-KFIVDJFUSA-N 0 0 410.473 4.074 40 0 HIABRN C[C@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4nc5ccccc5s4)c3)C(=O)[C@@H]2C1 ZINC000100637044 559137198 /nfs/dbraw/zinc/13/71/98/559137198.db2.gz CKSAPDZNNWAVFR-IAOVAPTHSA-N 0 0 419.506 4.474 40 0 HIABRN O=C(Cc1cccc(F)c1)NC[C@H]1CC[C@H](c2ncncc2-c2ccncc2)CC1 ZINC000100738793 559138990 /nfs/dbraw/zinc/13/89/90/559138990.db2.gz CXTVHYRCXJRNFL-MSEWRSJXSA-N 0 0 404.489 4.310 40 0 HIABRN COc1ccccc1CC(=O)NC[C@H]1CC[C@H](c2ncncc2-c2cc(C)no2)CC1 ZINC000100743573 559139211 /nfs/dbraw/zinc/13/92/11/559139211.db2.gz CLFPPTSDUDSVRA-HDICACEKSA-N 0 0 420.513 4.081 40 0 HIABRN O=C1C[C@@H](Nc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000101079545 559143144 /nfs/dbraw/zinc/14/31/44/559143144.db2.gz WGQNUSTXOKBVGM-CQSZACIVSA-N 0 0 414.086 4.500 40 0 HIABRN O=C1C[C@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1Br ZINC000101276947 559144389 /nfs/dbraw/zinc/14/43/89/559144389.db2.gz GAPLPLBVEFYOHI-ZDUSSCGKSA-N 0 0 414.086 4.500 40 0 HIABRN Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl ZINC000014087626 559149981 /nfs/dbraw/zinc/14/99/81/559149981.db2.gz BMCNRKFULVRIGK-UHFFFAOYSA-N 0 0 423.325 4.432 40 0 HIABRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc(F)c3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102762227 559152560 /nfs/dbraw/zinc/15/25/60/559152560.db2.gz PFUFINGZQLOXFT-ACRUOGEOSA-N 0 0 406.388 4.016 40 0 HIABRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(F)c(F)c3)[C@@H]2C(=O)N1c1ccccc1 ZINC000102767326 559152600 /nfs/dbraw/zinc/15/26/00/559152600.db2.gz SCLQDEBYMGJAFU-HBMCJLEFSA-N 0 0 406.388 4.016 40 0 HIABRN CC(C)CNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000105040207 559162127 /nfs/dbraw/zinc/16/21/27/559162127.db2.gz WVZBZHBKJCQLOV-AWEZNQCLSA-N 0 0 419.319 4.241 40 0 HIABRN CC(C)(C)CC(C)(C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000105410157 559162717 /nfs/dbraw/zinc/16/27/17/559162717.db2.gz XOLVHZNMSDIODW-UHFFFAOYSA-N 0 0 402.560 4.213 40 0 HIABRN Cc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 ZINC000105848946 559163180 /nfs/dbraw/zinc/16/31/80/559163180.db2.gz OODJSDVIYNBBMD-INIZCTEOSA-N 0 0 412.486 4.426 40 0 HIABRN O=C(NCc1cccs1)[C@@H]1C[C@@]2(CO1)c1ccccc1CN2Cc1ccccc1 ZINC000107181317 559164768 /nfs/dbraw/zinc/16/47/68/559164768.db2.gz AQXCUUVJXNVDKQ-LADGPHEKSA-N 0 0 404.535 4.065 40 0 HIABRN CCc1ccc(NC(=O)N2CC[C@]3(CC[C@H](C(=O)Nc4cccnc4)O3)[C@@H](C)C2)cc1 ZINC000107271963 559165059 /nfs/dbraw/zinc/16/50/59/559165059.db2.gz FTGOOLOIHFMDQS-XVWGUNQUSA-N 0 0 422.529 4.074 40 0 HIABRN O=S(=O)(c1c[nH]cc(Cl)c1=S)N(Cc1ccccc1)Cc1ccccc1 ZINC000072210819 559168127 /nfs/dbraw/zinc/16/81/27/559168127.db2.gz KNDLOGZGWLSMEC-UHFFFAOYSA-N 0 0 404.944 4.415 40 0 HIABRN CN(C(=O)OC(C)(C)C)c1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1 ZINC000072214478 559168292 /nfs/dbraw/zinc/16/82/92/559168292.db2.gz RDKBTXGIGVMGDD-UHFFFAOYSA-N 0 0 407.511 4.331 40 0 HIABRN Cc1ccc(N(CC(=O)N[C@H](C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1C ZINC000044792118 559173331 /nfs/dbraw/zinc/17/33/31/559173331.db2.gz DINGYUAEOPZHTL-HXUWFJFHSA-N 0 0 422.550 4.376 40 0 HIABRN Cc1ccc(N(CC(=O)NCc2ccccc2C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000044791879 559173334 /nfs/dbraw/zinc/17/33/34/559173334.db2.gz JOGXHNYTAVYPPT-UHFFFAOYSA-N 0 0 422.550 4.124 40 0 HIABRN COC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000113882630 559181917 /nfs/dbraw/zinc/18/19/17/559181917.db2.gz LYIIHHGYDQJFCL-UHFFFAOYSA-N 0 0 408.690 4.015 40 0 HIABRN Cc1ccc(C)c([C@@H](C)NC(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 ZINC000113939923 559182388 /nfs/dbraw/zinc/18/23/88/559182388.db2.gz UYBCDJVWUAISQF-HXUWFJFHSA-N 0 0 416.587 4.344 40 0 HIABRN CC[C@@H](C(=O)N[C@H]1CCCc2ccccc21)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000113945838 559182546 /nfs/dbraw/zinc/18/25/46/559182546.db2.gz WWRTXVQUMSONCJ-PMACEKPBSA-N 0 0 420.962 4.078 40 0 HIABRN CC[C@H](C(=O)N[C@@H](C)c1cc(C)ccc1C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000113945409 559182556 /nfs/dbraw/zinc/18/25/56/559182556.db2.gz FUNVPLRHXWDPBX-OXJNMPFZSA-N 0 0 422.978 4.379 40 0 HIABRN CC[C@@H](NC(=O)[C@@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000113949694 559182821 /nfs/dbraw/zinc/18/28/21/559182821.db2.gz JHSIRVKKERIWJO-NHCUHLMSSA-N 0 0 402.560 4.116 40 0 HIABRN CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1 ZINC000113958107 559183473 /nfs/dbraw/zinc/18/34/73/559183473.db2.gz JZFXEDRLORIGQQ-UHFFFAOYSA-N 0 0 404.557 4.081 40 0 HIABRN Cc1ccc([C@H](C)NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)c(C)c1 ZINC000113961796 559183923 /nfs/dbraw/zinc/18/39/23/559183923.db2.gz RYMCERJXTWZMKL-FQEVSTJZSA-N 0 0 416.587 4.344 40 0 HIABRN CCCN1C(=O)S/C(=C/c2cc(OC)c(OCC)cc2Br)C1=O ZINC000006655771 559215257 /nfs/dbraw/zinc/21/52/57/559215257.db2.gz UOQRHZWDDAPMJU-RIYZIHGNSA-N 0 0 400.294 4.303 40 0 HIABRN Cc1cc(C)c(NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c(C)c1 ZINC000008333308 559276338 /nfs/dbraw/zinc/27/63/38/559276338.db2.gz WFKKSUULPJUSKY-UHFFFAOYSA-N 0 0 402.560 4.260 40 0 HIABRN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C(C)C)cc3)C2)cc1 ZINC000000791767 559279602 /nfs/dbraw/zinc/27/96/02/559279602.db2.gz OQIGWDIQMCRBIM-IBGZPJMESA-N 0 0 400.544 4.158 40 0 HIABRN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC3=CCCCC3)C2)c(C)c1 ZINC000000793406 559279713 /nfs/dbraw/zinc/27/97/13/559279713.db2.gz FBXCVMFUHGGVBW-OAQYLSRUSA-N 0 0 418.603 4.019 40 0 HIABRN Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)Nc1ccccc1 ZINC000000808510 559280686 /nfs/dbraw/zinc/28/06/86/559280686.db2.gz MIEQKPPAVPQWHC-UHFFFAOYSA-N 0 0 421.927 4.282 40 0 HIABRN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(Br)cc4)cc3n2)cc1 ZINC000000828070 559281835 /nfs/dbraw/zinc/28/18/35/559281835.db2.gz JFWRODRUNSTHMF-UHFFFAOYSA-N 0 0 423.270 4.444 40 0 HIABRN COc1ccc([C@@H]2CN(C(C)=O)CCN2C(=O)c2ccccc2-c2ccccc2)cc1 ZINC000257200324 559282191 /nfs/dbraw/zinc/28/21/91/559282191.db2.gz ACWHPKPWKWFFTH-VWLOTQADSA-N 0 0 414.505 4.408 40 0 HIABRN C[C@@]1(O)CCN(C(=O)C2CCCCC2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289919 560031313 /nfs/dbraw/zinc/03/13/13/560031313.db2.gz NFWKWFJMPALKTR-SXWKCWPCSA-N 0 0 418.603 4.028 40 0 biogenic,in-vitro HIABRN COc1ccc(-c2nnc(SCC(=O)N3CCCCC3)n2Cc2ccccc2)cc1 ZINC000000873201 560536577 /nfs/dbraw/zinc/53/65/77/560536577.db2.gz FHNLOIXAFYGSMX-UHFFFAOYSA-N 0 0 422.554 4.107 40 0 HIABRN CCN(CC)C(=O)CSc1nnc(COc2ccccc2C)n1-c1ccccc1 ZINC000000881531 560539864 /nfs/dbraw/zinc/53/98/64/560539864.db2.gz ZHZCERIJVHLOPC-UHFFFAOYSA-N 0 0 410.543 4.115 40 0 HIABRN Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCC3)N3CCCCCC3)c(=O)[nH]c2c1 ZINC000000894509 560543573 /nfs/dbraw/zinc/54/35/73/560543573.db2.gz GNIDPOGIAYHLID-QFIPXVFZSA-N 0 0 420.561 4.212 40 0 HIABRN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NN1CCCCC1 ZINC000000901290 560544363 /nfs/dbraw/zinc/54/43/63/560544363.db2.gz ISUSNSBCAQGRCS-ZDUSSCGKSA-N 0 0 410.465 4.160 40 0 HIABRN COc1ccccc1NC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000000901843 560544447 /nfs/dbraw/zinc/54/44/47/560544447.db2.gz XBVVVGFLRISOAK-UHFFFAOYSA-N 0 0 409.389 4.495 40 0 HIABRN CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCCCCC1 ZINC000000909856 560546011 /nfs/dbraw/zinc/54/60/11/560546011.db2.gz PIWGSERSCRSZPH-NRFANRHFSA-N 0 0 422.577 4.242 40 0 HIABRN O=C(c1cc2ccccc2[nH]1)N1CCC2(CC1)OCC[C@H]2CCOCc1ccccn1 ZINC000575402869 560546870 /nfs/dbraw/zinc/54/68/70/560546870.db2.gz DLCKSGAGKUCGCE-HXUWFJFHSA-N 0 0 419.525 4.181 40 0 HIABRN Cc1nc(CO[C@@H]2CSC3(CN(C(=O)C45CC6CC(CC(C6)C4)C5)C3)C2)cs1 ZINC000575404084 560547099 /nfs/dbraw/zinc/54/70/99/560547099.db2.gz MFNBWRILSOONGM-ILCGBQQYSA-N 0 0 418.628 4.271 40 0 HIABRN Cc1c2ccccc2oc1C(=O)N1CC2(C1)C[C@@H](OCc1cnccc1C)CCO2 ZINC000575404024 560547104 /nfs/dbraw/zinc/54/71/04/560547104.db2.gz LGRMQYMUQBIZNG-IBGZPJMESA-N 0 0 406.482 4.035 40 0 HIABRN CN(C)c1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cc1 ZINC000000919449 560554584 /nfs/dbraw/zinc/55/45/84/560554584.db2.gz NCCLAHNFFPGDNG-YOEHRIQHSA-N 0 0 419.407 4.455 40 0 HIABRN CCNC(=S)N(CCc1cccc(C)c1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000000920148 560555252 /nfs/dbraw/zinc/55/52/52/560555252.db2.gz LOLASHFPZSCTPB-UHFFFAOYSA-N 0 0 407.583 4.338 40 0 HIABRN CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCc3ccc(F)cc3)o2)cc1 ZINC000000922280 560556294 /nfs/dbraw/zinc/55/62/94/560556294.db2.gz SABCUYJJAUYGLN-UHFFFAOYSA-N 0 0 421.519 4.199 40 0 HIABRN COc1ccc2c(cc(C)c3nnc(SCC(=O)Nc4cc(C)ccc4OC)n32)c1 ZINC000000928519 560557212 /nfs/dbraw/zinc/55/72/12/560557212.db2.gz PIGXFVUNZUMIGN-UHFFFAOYSA-N 0 0 422.510 4.247 40 0 HIABRN CCC(=O)Nc1ccc(NC(=O)CSc2ncnc3sc(C)c(C)c32)cc1 ZINC000000928940 560557409 /nfs/dbraw/zinc/55/74/09/560557409.db2.gz QIGQRKOOWZVLKD-UHFFFAOYSA-N 0 0 400.529 4.387 40 0 HIABRN Cc1ccc(C(=O)CSc2nnc(CCc3nc4ccccc4[nH]3)n2C)c(C)c1 ZINC000000929969 560557731 /nfs/dbraw/zinc/55/77/31/560557731.db2.gz HWXYWNMIDCLIEC-UHFFFAOYSA-N 0 0 405.527 4.068 40 0 HIABRN COc1cc(C(=O)N(C)c2nc(-c3ccc(F)cc3)cs2)cc(OC)c1OC ZINC000000932819 560558957 /nfs/dbraw/zinc/55/89/57/560558957.db2.gz NXRSMOWRXXMDSH-UHFFFAOYSA-N 0 0 402.447 4.252 40 0 HIABRN Cc1cc(OCc2nnc(SCC(=O)Nc3ccccc3)n2C)ccc1Cl ZINC000000933799 560559242 /nfs/dbraw/zinc/55/92/42/560559242.db2.gz GRWKDRPUFBNJQG-UHFFFAOYSA-N 0 0 402.907 4.087 40 0 HIABRN Cc1ccccc1OCc1nnc(SCC(=O)Nc2cccc(Cl)c2)n1C ZINC000000933576 560559311 /nfs/dbraw/zinc/55/93/11/560559311.db2.gz HALKXMFGLIUUJG-UHFFFAOYSA-N 0 0 402.907 4.087 40 0 HIABRN CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2sc(C)c(C)c2c1=O ZINC000000976460 560560434 /nfs/dbraw/zinc/56/04/34/560560434.db2.gz FPGKKNLCKMYNBG-UHFFFAOYSA-N 0 0 415.540 4.028 40 0 HIABRN O=C(COc1ccccc1)NC1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000001238220 560572797 /nfs/dbraw/zinc/57/27/97/560572797.db2.gz XIQUFTVKQKGQAG-UHFFFAOYSA-N 0 0 411.502 4.113 40 0 HIABRN COc1ccc2cc(CN(Cc3ccco3)C(=O)NCc3ccccc3)c(=O)[nH]c2c1 ZINC000001327523 560573496 /nfs/dbraw/zinc/57/34/96/560573496.db2.gz GJPWRANXNTVGRA-UHFFFAOYSA-N 0 0 417.465 4.042 40 0 HIABRN COC(=O)c1ccccc1NC(=O)CSc1ncccc1-c1nc2ccccc2[nH]1 ZINC000001329206 560573822 /nfs/dbraw/zinc/57/38/22/560573822.db2.gz VTFNPTRDNCLTAI-UHFFFAOYSA-N 0 0 418.478 4.142 40 0 HIABRN O=C(c1ccc(Cl)cc1)N1CCN(c2ncnc3sc4c(c32)CCCC4)CC1 ZINC000001332360 560574497 /nfs/dbraw/zinc/57/44/97/560574497.db2.gz PATAJWWOYWYIBY-UHFFFAOYSA-N 0 0 412.946 4.186 40 0 HIABRN O=C(Cn1nnc(-c2ccc(NC(=O)c3ccccc3Cl)cc2)n1)c1ccccc1 ZINC000001339515 560575235 /nfs/dbraw/zinc/57/52/35/560575235.db2.gz IQUQERHKMIUREQ-UHFFFAOYSA-N 0 0 417.856 4.129 40 0 HIABRN Cc1sc2nc(C)nc(SCC(=O)Nc3ccc4c(c3)OCCO4)c2c1C ZINC000001340313 560575473 /nfs/dbraw/zinc/57/54/73/560575473.db2.gz YIXWNFDAXBVSKQ-UHFFFAOYSA-N 0 0 401.513 4.119 40 0 HIABRN CCC(=O)N(Cc1ccccc1)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000001345697 560576274 /nfs/dbraw/zinc/57/62/74/560576274.db2.gz KXPMBWDVRNCSMM-UHFFFAOYSA-N 0 0 413.499 4.174 40 0 HIABRN CCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)N(C(C)C)C(C)C ZINC000001353750 560577106 /nfs/dbraw/zinc/57/71/06/560577106.db2.gz OLHVUCUROXTXRY-UHFFFAOYSA-N 0 0 413.493 4.393 40 0 HIABRN Cc1sc(NC(=O)c2ccccn2)nc1-c1ccc2c(c1)CCN2C(=O)C(C)C ZINC000001355592 560577503 /nfs/dbraw/zinc/57/75/03/560577503.db2.gz QXQAEEIWZNAYMM-UHFFFAOYSA-N 0 0 406.511 4.311 40 0 HIABRN 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CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC ZINC000223022293 568534551 /nfs/dbraw/zinc/53/45/51/568534551.db2.gz PIUBRRSOFUVFGO-QGZVFWFLSA-N 0 0 421.877 4.248 40 0 HIABRN COc1cccc(-c2c3c(ccn([C@@H]4CCC[C@@H](C)[C@@H]4C)c3=O)nc3ncnn32)c1 ZINC000223064298 568536328 /nfs/dbraw/zinc/53/63/28/568536328.db2.gz WZCRTOYGYSQVGQ-ZRGWGRIASA-N 0 0 403.486 4.112 40 0 HIABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2)o1 ZINC000223069628 568536393 /nfs/dbraw/zinc/53/63/93/568536393.db2.gz TVBCTBTVWQENAC-SFTDATJTSA-N 0 0 411.502 4.490 40 0 HIABRN CC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1)c1ccc2c(c1)CCCC2 ZINC000223068157 568536402 /nfs/dbraw/zinc/53/64/02/568536402.db2.gz QBXBPDJRQBSISA-HXUWFJFHSA-N 0 0 400.544 4.126 40 0 HIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 ZINC000223086394 568537030 /nfs/dbraw/zinc/53/70/30/568537030.db2.gz JXWAGRJLVNLAIA-VWLOTQADSA-N 0 0 414.549 4.395 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C[C@@H]2CCCO2)N1C1CCCCC1 ZINC000223090804 568537227 /nfs/dbraw/zinc/53/72/27/568537227.db2.gz ZAZIZSQLSOXRNB-BWAGFHJFSA-N 0 0 410.587 4.367 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Cl)cc1 ZINC000223093540 568537326 /nfs/dbraw/zinc/53/73/26/568537326.db2.gz KQDQYNUGWHHEAY-GOSISDBHSA-N 0 0 416.949 4.361 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1 ZINC000223107563 568537767 /nfs/dbraw/zinc/53/77/67/568537767.db2.gz PNXZYBHIIIMGHN-LJQANCHMSA-N 0 0 404.963 4.127 40 0 HIABRN CCCN1c2ccc(C(=O)N[C@H](C)c3ccc(Cl)cc3)cc2S(=O)(=O)N=C1C ZINC000223114655 568538039 /nfs/dbraw/zinc/53/80/39/568538039.db2.gz FTOMOJZDFHXIEV-CYBMUJFWSA-N 0 0 419.934 4.168 40 0 HIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(C)c(C)c1 ZINC000223118010 568538123 /nfs/dbraw/zinc/53/81/23/568538123.db2.gz PPFBDFXDWFBEKA-RTBURBONSA-N 0 0 414.521 4.153 40 0 HIABRN CCc1cccc(C)c1NC(=O)c1ccc2c(c1)S(=O)(=O)N=C(C)N2CC(C)C ZINC000223119588 568538241 /nfs/dbraw/zinc/53/82/41/568538241.db2.gz OQWPPLXWHZYWQE-UHFFFAOYSA-N 0 0 413.543 4.393 40 0 HIABRN CC[C@@H](NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1)c1ccc2c(c1)CCCC2 ZINC000223122564 568538413 /nfs/dbraw/zinc/53/84/13/568538413.db2.gz SLHPDERUTFFUPD-OAQYLSRUSA-N 0 0 414.571 4.151 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(CC)cc1 ZINC000223131484 568538795 /nfs/dbraw/zinc/53/87/95/568538795.db2.gz CNIGTNCXDMDLOP-FQEVSTJZSA-N 0 0 410.558 4.270 40 0 HIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1 ZINC000223131782 568538799 /nfs/dbraw/zinc/53/87/99/568538799.db2.gz BAHSBJCBKQORNX-VWLOTQADSA-N 0 0 414.549 4.314 40 0 HIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1F ZINC000223130679 568538812 /nfs/dbraw/zinc/53/88/12/568538812.db2.gz PTUBEWCYRWHCBV-XMMPIXPASA-N 0 0 418.512 4.144 40 0 HIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1cccc(Cl)c1 ZINC000223137279 568539006 /nfs/dbraw/zinc/53/90/06/568539006.db2.gz FUORRDXEUUBGSQ-CVEARBPZSA-N 0 0 420.912 4.190 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223139366 568539162 /nfs/dbraw/zinc/53/91/62/568539162.db2.gz SOYODQMUAVTQKO-IBGZPJMESA-N 0 0 423.340 4.234 40 0 HIABRN CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@H](CC)C(=O)NC)cc1 ZINC000223143233 568539382 /nfs/dbraw/zinc/53/93/82/568539382.db2.gz GXHWHXFOKCIBDA-OAQYLSRUSA-N 0 0 400.950 4.388 40 0 HIABRN Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000223149228 568539488 /nfs/dbraw/zinc/53/94/88/568539488.db2.gz KZGYEQLVFWBRIS-UUYOSTAYSA-N 0 0 404.510 4.444 40 0 HIABRN CSc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1NC(C)=O ZINC000223163346 568539847 /nfs/dbraw/zinc/53/98/47/568539847.db2.gz LSDXIWRMDFCLRX-UHFFFAOYSA-N 0 0 404.435 4.187 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccc(C)cc1 ZINC000223180106 568540383 /nfs/dbraw/zinc/54/03/83/568540383.db2.gz UWOSAHAWTYLIES-NRFANRHFSA-N 0 0 416.949 4.361 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl ZINC000223189143 568540509 /nfs/dbraw/zinc/54/05/09/568540509.db2.gz ZZWDYZIADMCVSU-IBGZPJMESA-N 0 0 407.341 4.479 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(F)cc1 ZINC000223186378 568540516 /nfs/dbraw/zinc/54/05/16/568540516.db2.gz NIALSUUQFBPBLV-IBGZPJMESA-N 0 0 422.953 4.266 40 0 HIABRN CC(C)C(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccco1 ZINC000223203013 568540906 /nfs/dbraw/zinc/54/09/06/568540906.db2.gz IQJJUXPSENADML-QHCPKHFHSA-N 0 0 422.500 4.331 40 0 HIABRN CCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NCCC(C)C ZINC000223265743 568543238 /nfs/dbraw/zinc/54/32/38/568543238.db2.gz RAMOKUQLGRTPMR-HSZRJFAPSA-N 0 0 410.558 4.207 40 0 HIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Br)s2)N1C[C@@H]1CCCO1 ZINC000223294927 568544349 /nfs/dbraw/zinc/54/43/49/568544349.db2.gz BCNMCGIFLVFALV-UVBJJODRSA-N 0 0 424.389 4.057 40 0 HIABRN Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1 ZINC000223301954 568544498 /nfs/dbraw/zinc/54/44/98/568544498.db2.gz UJHMUWDBAHWATH-WWPVKYPJSA-N 0 0 418.566 4.332 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2cccnc2)N1Cc1ccco1 ZINC000223338383 568545718 /nfs/dbraw/zinc/54/57/18/568545718.db2.gz MYUSCWQFYXHFNW-YADHBBJMSA-N 0 0 415.522 4.092 40 0 HIABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCCSC(C)(C)C ZINC000223378267 568547033 /nfs/dbraw/zinc/54/70/33/568547033.db2.gz RBRYNHJXTDQXEP-JXAWBTAJSA-N 0 0 402.585 4.475 40 0 HIABRN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3cc(C)ccc3C)o2)cc1 ZINC000223402580 568547526 /nfs/dbraw/zinc/54/75/26/568547526.db2.gz TWWAONDDNYIVCW-UHFFFAOYSA-N 0 0 412.511 4.278 40 0 HIABRN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3cc(C)cc(C)c3)o2)cc1 ZINC000223402932 568547543 /nfs/dbraw/zinc/54/75/43/568547543.db2.gz GDHQBYNKLJQMLX-UHFFFAOYSA-N 0 0 412.511 4.278 40 0 HIABRN Cc1cc(C)c([C@@H](C)NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1C ZINC000223412505 568547961 /nfs/dbraw/zinc/54/79/61/568547961.db2.gz JTEWATWHIHEIHA-LJQANCHMSA-N 0 0 416.587 4.379 40 0 HIABRN Cc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)cc1C ZINC000223424355 568548655 /nfs/dbraw/zinc/54/86/55/568548655.db2.gz YYHGNMGUDKIECN-PMACEKPBSA-N 0 0 416.587 4.261 40 0 HIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1F ZINC000223448722 568549197 /nfs/dbraw/zinc/54/91/97/568549197.db2.gz XCQZAINSBKYFOL-FQEVSTJZSA-N 0 0 402.485 4.229 40 0 HIABRN CCCc1ccc(OCCNC(=O)c2ccccc2I)cc1 ZINC000223460376 568549488 /nfs/dbraw/zinc/54/94/88/568549488.db2.gz URPHGCZHFYFYCL-UHFFFAOYSA-N 0 0 409.267 4.053 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)ccc1C ZINC000223460923 568549579 /nfs/dbraw/zinc/54/95/79/568549579.db2.gz DPCIUVLCSOENOB-HXUWFJFHSA-N 0 0 410.558 4.188 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1Cl ZINC000223468080 568549752 /nfs/dbraw/zinc/54/97/52/568549752.db2.gz GZQAEJKXYAFZSK-QGZVFWFLSA-N 0 0 416.949 4.225 40 0 HIABRN CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1cccnc1)c1ccccc1 ZINC000223478079 568549939 /nfs/dbraw/zinc/54/99/39/568549939.db2.gz WLQNCBIMSXOGTL-HSZRJFAPSA-N 0 0 405.473 4.017 40 0 HIABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCCCOCC)c1ccccc1 ZINC000223483182 568550095 /nfs/dbraw/zinc/55/00/95/568550095.db2.gz NKZFBOKNQFXLST-QHCPKHFHSA-N 0 0 414.521 4.239 40 0 HIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1 ZINC000223561581 568551829 /nfs/dbraw/zinc/55/18/29/568551829.db2.gz DVNHSJIFHXNDBN-OAQYLSRUSA-N 0 0 416.949 4.443 40 0 HIABRN Cc1cc(C)c(S(=O)(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)c(C)c1 ZINC000223577892 568552170 /nfs/dbraw/zinc/55/21/70/568552170.db2.gz RWRARSHYLBLCOM-UHFFFAOYSA-N 0 0 413.543 4.438 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(Cl)cc1Cl ZINC000223593520 568552716 /nfs/dbraw/zinc/55/27/16/568552716.db2.gz VRFRMGRLKHWNJK-HNNXBMFYSA-N 0 0 423.340 4.234 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(Cl)c1 ZINC000223595099 568552821 /nfs/dbraw/zinc/55/28/21/568552821.db2.gz RFFAFARFLWVVHS-KRWDZBQOSA-N 0 0 418.990 4.435 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223625741 568553738 /nfs/dbraw/zinc/55/37/38/568553738.db2.gz FZVJXUURZWKZGU-GOSISDBHSA-N 0 0 416.949 4.197 40 0 HIABRN Cc1cccc(CS(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 ZINC000223626072 568553848 /nfs/dbraw/zinc/55/38/48/568553848.db2.gz XLZREDNGBQVSNY-UHFFFAOYSA-N 0 0 413.543 4.304 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1Cl ZINC000223639572 568554457 /nfs/dbraw/zinc/55/44/57/568554457.db2.gz KZGWQBXJSVQDGW-QGZVFWFLSA-N 0 0 418.990 4.435 40 0 HIABRN CN(Cc1nc(-c2ccccc2Cl)no1)S(=O)(=O)Cc1cccc(Cl)c1 ZINC000223644004 568554625 /nfs/dbraw/zinc/55/46/25/568554625.db2.gz MEORMVGBSWJYSP-UHFFFAOYSA-N 0 0 412.298 4.005 40 0 HIABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1C(C)C ZINC000223655270 568555119 /nfs/dbraw/zinc/55/51/19/568555119.db2.gz GDKVJHMRTKKEBU-UHFFFAOYSA-N 0 0 416.543 4.246 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cccc2ccccc21 ZINC000223670994 568555572 /nfs/dbraw/zinc/55/55/72/568555572.db2.gz LNYMMDPQYFEIRB-IBGZPJMESA-N 0 0 404.510 4.080 40 0 HIABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(OC)cc1 ZINC000223710484 568556939 /nfs/dbraw/zinc/55/69/39/568556939.db2.gz FEJQBOFFLJJGPV-QFIPXVFZSA-N 0 0 410.558 4.002 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccc(C)cc1 ZINC000223712269 568557087 /nfs/dbraw/zinc/55/70/87/568557087.db2.gz WTXUSTCOZUIUGH-SFHVURJKSA-N 0 0 416.949 4.361 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1cc(C)cc(C)c1C ZINC000223716020 568557163 /nfs/dbraw/zinc/55/71/63/568557163.db2.gz VWYHDBUHDKXSRM-SFHVURJKSA-N 0 0 416.949 4.197 40 0 HIABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C(C)C)c1C ZINC000223719680 568557421 /nfs/dbraw/zinc/55/74/21/568557421.db2.gz VPWYZSDTFHMYQN-LEWJYISDSA-N 0 0 414.575 4.007 40 0 HIABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccccc1Cl ZINC000223744395 568557884 /nfs/dbraw/zinc/55/78/84/568557884.db2.gz SDCFVBYAELDLFB-KRWDZBQOSA-N 0 0 414.933 4.195 40 0 HIABRN Cc1ccc(C)c(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223746042 568557903 /nfs/dbraw/zinc/55/79/03/568557903.db2.gz ZWOQWIJFZXLDLT-FQEVSTJZSA-N 0 0 408.542 4.158 40 0 HIABRN Cc1ccc(C)c(OCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223782120 568558940 /nfs/dbraw/zinc/55/89/40/568558940.db2.gz GJPBKSNGVBHNMM-NRFANRHFSA-N 0 0 422.569 4.467 40 0 HIABRN CC(C)(C)CC(C)(C)NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000223787512 568559050 /nfs/dbraw/zinc/55/90/50/568559050.db2.gz CZZRBGIJLBPDFR-UHFFFAOYSA-N 0 0 409.379 4.090 40 0 HIABRN CCc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223805748 568559537 /nfs/dbraw/zinc/55/95/37/568559537.db2.gz KEKJGYCFKYDMTD-FQEVSTJZSA-N 0 0 422.569 4.412 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223833009 568560172 /nfs/dbraw/zinc/56/01/72/568560172.db2.gz UXNVWMXNFVKURZ-ZDUSSCGKSA-N 0 0 411.304 4.228 40 0 HIABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1F ZINC000223829790 568560188 /nfs/dbraw/zinc/56/01/88/568560188.db2.gz CQESTPGGPNZPCB-MRXNPFEDSA-N 0 0 416.924 4.498 40 0 HIABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1cc(C)ccc1C ZINC000223831258 568560215 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CCCCOC(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000011328311 558263655 /nfs/dbraw/zinc/26/36/55/558263655.db2.gz AJAJDWQEVMOGEX-UHFFFAOYSA-N 0 0 423.469 4.273 40 0 HIABRN Cc1nc(C)c(C(=O)N2CCC([C@H]3CCCCN(CCc4ccccc4)C3=O)CC2)o1 ZINC000019743986 558264517 /nfs/dbraw/zinc/26/45/17/558264517.db2.gz BQVHORHXLLGKCH-JOCHJYFZSA-N 0 0 423.557 4.015 40 0 HIABRN O=C(CC1CCN(C(=O)CC2CCCCC2)CC1)Nc1cccc(-n2cccn2)c1 ZINC000019748289 558267769 /nfs/dbraw/zinc/26/77/69/558267769.db2.gz DGKKVTCLLSKDMY-UHFFFAOYSA-N 0 0 408.546 4.410 40 0 HIABRN Cc1nc([C@@H]2CCCN2Cc2ccccc2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019753331 558272535 /nfs/dbraw/zinc/27/25/35/558272535.db2.gz KHMXFKHUXPBLLN-QFIPXVFZSA-N 0 0 404.489 4.191 40 0 HIABRN Cc1nc(C2CCN(C(=O)CC3CCCC3)CC2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019763974 558277620 /nfs/dbraw/zinc/27/76/20/558277620.db2.gz MHDWQDMQUUQTPC-UHFFFAOYSA-N 0 0 424.520 4.463 40 0 HIABRN O=C(C[C@H]1C(=O)N(Cc2ccco2)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 ZINC000019817598 558287882 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CCc1nn2c(ncc3c2ccn(-c2ccncc2)c3=O)c1-c1cccc(Cl)c1 ZINC000019962602 558316064 /nfs/dbraw/zinc/31/60/64/558316064.db2.gz FQXGMOVJTZMCDF-UHFFFAOYSA-N 0 0 401.857 4.311 40 0 HIABRN CC(C)c1ccc([C@@H]2CC(=O)c3cnc4nc(N5CCCCC5)[nH]c(=O)c4c3C2)cc1 ZINC000019973984 558317036 /nfs/dbraw/zinc/31/70/36/558317036.db2.gz GICJRLZFFVTKMC-SFHVURJKSA-N 0 0 416.525 4.345 40 0 HIABRN CC(=O)NC1(c2ccccc2F)CCN(Cc2nc3ccccc3n2C(C)C)CC1 ZINC000012116974 558328710 /nfs/dbraw/zinc/32/87/10/558328710.db2.gz SBOLPHCHJSAJSW-UHFFFAOYSA-N 0 0 408.521 4.384 40 0 HIABRN Cc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)c1 ZINC000020061600 558329407 /nfs/dbraw/zinc/32/94/07/558329407.db2.gz SCKAKCATWVBGIX-UHFFFAOYSA-N 0 0 400.544 4.429 40 0 HIABRN Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NCCC1=CCCCC1 ZINC000020063228 558329958 /nfs/dbraw/zinc/32/99/58/558329958.db2.gz NPGAUOZHPUJWII-UHFFFAOYSA-N 0 0 410.539 4.177 40 0 HIABRN O=C(NCCc1ccccc1)C1(Cc2ccccc2-c2ccncc2)CCOCC1 ZINC000012134092 558333536 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COC[C@@H](C)NC(=O)C1(Cc2ccccc2-c2ccc(F)c(F)c2)CCOCC1 ZINC000012220766 558355652 /nfs/dbraw/zinc/35/56/52/558355652.db2.gz NQYNOOJTDKVMOS-MRXNPFEDSA-N 0 0 403.469 4.122 40 0 HIABRN Cc1cc(C)n(Cc2c(C)onc2C(=O)N[C@@H](Cc2ccsc2)c2cccnc2)n1 ZINC000012228621 558357382 /nfs/dbraw/zinc/35/73/82/558357382.db2.gz BFUZRWPBQVIFBV-FQEVSTJZSA-N 0 0 421.526 4.015 40 0 HIABRN CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)CC[C@@H]3CCCO3)cc2n1 ZINC000012230483 558358075 /nfs/dbraw/zinc/35/80/75/558358075.db2.gz LBMBPYZLQBHXIF-YOEHRIQHSA-N 0 0 424.467 4.494 40 0 HIABRN COCCOc1ccc(CN2CCc3onc(-c4ccc(F)c(F)c4)c3C2)cc1 ZINC000012241255 558360462 /nfs/dbraw/zinc/36/04/62/558360462.db2.gz BDVWEZLMKPRPLA-UHFFFAOYSA-N 0 0 400.425 4.203 40 0 HIABRN CCCCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448381 558364167 /nfs/dbraw/zinc/36/41/67/558364167.db2.gz KMMPBDTUPLSOCE-AWEZNQCLSA-N 0 0 406.935 4.010 40 0 HIABRN CCCCCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448736 558364201 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HIABRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)Nc1cc(C)ccc1C ZINC000020634804 558395685 /nfs/dbraw/zinc/39/56/85/558395685.db2.gz WXOSLTRMTMDLII-LJQANCHMSA-N 0 0 406.482 4.132 40 0 HIABRN CCCCN1c2nc3ccccc3n2[C@@H](c2ccc(F)cc2)[C@H](C(=O)OCC)C1=O ZINC000020638206 558396641 /nfs/dbraw/zinc/39/66/41/558396641.db2.gz MCXVMSMODQYNGW-PMACEKPBSA-N 0 0 409.461 4.091 40 0 HIABRN CCCCCN1c2nc3ccccc3n2[C@@H](c2ccc(F)cc2)[C@@H](C(=O)OCC)C1=O ZINC000020675566 558399631 /nfs/dbraw/zinc/39/96/31/558399631.db2.gz JWAVNWKIINCWLB-RTWAWAEBSA-N 0 0 423.488 4.481 40 0 HIABRN CCCCCN1c2nc3ccccc3n2[C@@H](c2ccccc2)[C@H](C(=O)OCC)C1=O ZINC000020675522 558399715 /nfs/dbraw/zinc/39/97/15/558399715.db2.gz CGYGUAQMQREPMV-SFTDATJTSA-N 0 0 405.498 4.342 40 0 HIABRN COc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@H](c2cccc(Cl)c2)C4)cc1 ZINC000020796265 558414295 /nfs/dbraw/zinc/41/42/95/558414295.db2.gz AWNHLPXIRWNWEM-OAHLLOKOSA-N 0 0 404.857 4.366 40 0 HIABRN CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000021308775 558435377 /nfs/dbraw/zinc/43/53/77/558435377.db2.gz SQMCARQFWBTKGV-QGZVFWFLSA-N 0 0 416.543 4.001 40 0 HIABRN COc1cccc(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)c1OC ZINC000021948175 558456340 /nfs/dbraw/zinc/45/63/40/558456340.db2.gz TVPHWIFMZGLEMV-UHFFFAOYSA-N 0 0 405.476 4.239 40 0 HIABRN CCn1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c(=O)c2cc(Cl)ccc21 ZINC000022234997 558470263 /nfs/dbraw/zinc/47/02/63/558470263.db2.gz SGVATCPBAQEUSH-UHFFFAOYSA-N 0 0 423.944 4.254 40 0 HIABRN C[C@@H](NC(=O)c1cn2c3c(cccc3c1=O)CCC2)c1cccc(Br)c1 ZINC000022235583 558470529 /nfs/dbraw/zinc/47/05/29/558470529.db2.gz SDYSJRLMCJLKQS-CYBMUJFWSA-N 0 0 411.299 4.201 40 0 HIABRN CC[C@H](NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O)c1ccc(C)cc1C ZINC000022330426 558479673 /nfs/dbraw/zinc/47/96/73/558479673.db2.gz ZOOORSBSHYVHLK-QFIPXVFZSA-N 0 0 416.587 4.460 40 0 HIABRN CC[C@@H](NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000022337829 558481955 /nfs/dbraw/zinc/48/19/55/558481955.db2.gz RGTNTEKVKIPMDY-HXUWFJFHSA-N 0 0 422.978 4.299 40 0 HIABRN CCCOc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 ZINC000022379940 558484511 /nfs/dbraw/zinc/48/45/11/558484511.db2.gz BBTFNRZUPMZUPB-UHFFFAOYSA-N 0 0 404.532 4.004 40 0 HIABRN Cc1ccc(N(CC(=O)N(C)C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022430332 558489251 /nfs/dbraw/zinc/48/92/51/558489251.db2.gz YEVXPIYAGVUFMA-UHFFFAOYSA-N 0 0 414.571 4.290 40 0 HIABRN COc1ccc([C@@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000022510246 558492705 /nfs/dbraw/zinc/49/27/05/558492705.db2.gz ZOBDOMWXGDKJFU-QGZVFWFLSA-N 0 0 424.522 4.295 40 0 HIABRN Cc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1NS(=O)(=O)c1ccccc1 ZINC000022510103 558492713 /nfs/dbraw/zinc/49/27/13/558492713.db2.gz FROWLWDJSMOECW-MRXNPFEDSA-N 0 0 412.486 4.426 40 0 HIABRN COc1ccc([C@H](C)NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000022519333 558494582 /nfs/dbraw/zinc/49/45/82/558494582.db2.gz ADDZMRFBYUBLHM-KRWDZBQOSA-N 0 0 424.522 4.011 40 0 HIABRN Cc1cc(C)c([C@@H](C)NC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1C ZINC000022537607 558498557 /nfs/dbraw/zinc/49/85/57/558498557.db2.gz GGZPBMRFMXNYOQ-LJQANCHMSA-N 0 0 416.587 4.109 40 0 HIABRN O=C(NCCC1=CCCCC1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000022651964 558503992 /nfs/dbraw/zinc/50/39/92/558503992.db2.gz VYVWFIAVCFQOSA-UHFFFAOYSA-N 0 0 402.491 4.247 40 0 HIABRN CCOC(=O)[C@H](c1ccccc1)c1cccc([C@H](C(=O)OCC)c2ccccc2)n1 ZINC000013214960 558526288 /nfs/dbraw/zinc/52/62/88/558526288.db2.gz VKVNNCCPAMTPNP-DHIUTWEWSA-N 0 0 403.478 4.472 40 0 HIABRN Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@@H](C)NC(=O)Cc1cccc(F)c1 ZINC000013227542 558526949 /nfs/dbraw/zinc/52/69/49/558526949.db2.gz MCDXWEIYYKSLDG-CQSZACIVSA-N 0 0 420.406 4.215 40 0 HIABRN NC(=O)c1cc2ccccc2nc1C1CCN(C(=O)CCc2ccc(Cl)cc2)CC1 ZINC000013267610 558528465 /nfs/dbraw/zinc/52/84/65/558528465.db2.gz OCNFIRKTLYIVMQ-UHFFFAOYSA-N 0 0 421.928 4.326 40 0 HIABRN COc1ccc(C)cc1NC(=O)c1sc2nc3cc4c(cc3cc2c1N)OCCO4 ZINC000013503449 558535293 /nfs/dbraw/zinc/53/52/93/558535293.db2.gz HOFALJOXWAVFTC-UHFFFAOYSA-N 0 0 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CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223000664 568533835 /nfs/dbraw/zinc/53/38/35/568533835.db2.gz HFNZKLPJWPGTKY-HXUWFJFHSA-N 0 0 416.949 4.197 40 0 HIABRN COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000222998260 568533862 /nfs/dbraw/zinc/53/38/62/568533862.db2.gz JDHMKUWQNBJPBT-CYBMUJFWSA-N 0 0 407.919 4.045 40 0 HIABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000223003650 568533982 /nfs/dbraw/zinc/53/39/82/568533982.db2.gz YIOGNQSCEDJFTB-FQEVSTJZSA-N 0 0 409.486 4.178 40 0 HIABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2ccccc2)c1C ZINC000223005634 568534159 /nfs/dbraw/zinc/53/41/59/568534159.db2.gz FDIKADKWRQRKKY-GOTSBHOMSA-N 0 0 420.582 4.167 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1Cl ZINC000223015480 568534331 /nfs/dbraw/zinc/53/43/31/568534331.db2.gz KETUDNLLNOWUNH-HXUWFJFHSA-N 0 0 418.990 4.435 40 0 HIABRN CSc1ccc(S(=O)(=O)NCCSc2ccccc2)cc1NC(=O)C(C)C ZINC000223021614 568534472 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410.558 4.187 40 0 HIABRN Cc1cccc(N(CCCC(=O)N[C@@H](C)c2ccccc2C)S(C)(=O)=O)c1C ZINC000223057058 568535961 /nfs/dbraw/zinc/53/59/61/568535961.db2.gz DTKHJVRGYPAGCD-IBGZPJMESA-N 0 0 402.560 4.035 40 0 HIABRN CC(C)C(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccco1 ZINC000223059930 568536120 /nfs/dbraw/zinc/53/61/20/568536120.db2.gz HMXOIFZHEQOZLB-QHCPKHFHSA-N 0 0 404.510 4.192 40 0 HIABRN COc1ccc(CN(C(=O)CSc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223060966 568536211 /nfs/dbraw/zinc/53/62/11/568536211.db2.gz INADRWGMQAMUAJ-QGZVFWFLSA-N 0 0 414.571 4.119 40 0 HIABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)cc1 ZINC000223063465 568536265 /nfs/dbraw/zinc/53/62/65/568536265.db2.gz DKFCBQDBUXAXQP-VXKWHMMOSA-N 0 0 406.555 4.190 40 0 HIABRN COc1ccccc1-c1c2c(ccn([C@@H]3CCC[C@H](C)[C@@H]3C)c2=O)nc2ncnn21 ZINC000223064057 568536297 /nfs/dbraw/zinc/53/62/97/568536297.db2.gz PPCNJIMSDMSTSR-RLFYNMQTSA-N 0 0 403.486 4.112 40 0 HIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000223083784 568536903 /nfs/dbraw/zinc/53/69/03/568536903.db2.gz XEFHINIZWKRUPA-XMMPIXPASA-N 0 0 400.522 4.005 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223105401 568537624 /nfs/dbraw/zinc/53/76/24/568537624.db2.gz VMYCFENFJAEARL-IBGZPJMESA-N 0 0 407.341 4.398 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 ZINC000223108658 568537919 /nfs/dbraw/zinc/53/79/19/568537919.db2.gz KRUODENDUUSGMU-IBGZPJMESA-N 0 0 404.963 4.376 40 0 HIABRN C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223117093 568538147 /nfs/dbraw/zinc/53/81/47/568538147.db2.gz ZRVWIGRKZBFCRY-QGZVFWFLSA-N 0 0 400.950 4.257 40 0 HIABRN CC1=NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2N1CC(C)C ZINC000223120505 568538253 /nfs/dbraw/zinc/53/82/53/568538253.db2.gz REOBQCYCLVWXLY-UHFFFAOYSA-N 0 0 423.897 4.315 40 0 HIABRN Cc1ccc(C)c(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223122193 568538384 /nfs/dbraw/zinc/53/83/84/568538384.db2.gz BHESGKOPSAJWES-FQEVSTJZSA-N 0 0 410.558 4.057 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCCOc1ccc(C)cc1 ZINC000223136085 568539078 /nfs/dbraw/zinc/53/90/78/568539078.db2.gz WWRLHIBMRDZKPR-OAQYLSRUSA-N 0 0 416.949 4.361 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)COc1ccc(C(C)C)cc1 ZINC000223139883 568539253 /nfs/dbraw/zinc/53/92/53/568539253.db2.gz GCLHBKHFXSNLAR-NRFANRHFSA-N 0 0 416.949 4.396 40 0 HIABRN COc1ccc(S(=O)(=O)NCCSCc2c(F)cccc2Cl)c(C)c1C ZINC000223145288 568539341 /nfs/dbraw/zinc/53/93/41/568539341.db2.gz OJZVXZKNASPVDF-UHFFFAOYSA-N 0 0 417.955 4.316 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(F)cc1 ZINC000223142157 568539350 /nfs/dbraw/zinc/53/93/50/568539350.db2.gz USICHDKMTFRUFC-LJQANCHMSA-N 0 0 422.953 4.266 40 0 HIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1cccc(C)c1C ZINC000223176803 568540054 /nfs/dbraw/zinc/54/00/54/568540054.db2.gz FWEQATNYDATARE-NRFANRHFSA-N 0 0 410.558 4.404 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)cc(C)c1C ZINC000223184225 568540368 /nfs/dbraw/zinc/54/03/68/568540368.db2.gz ITHIBQZEUXJGGR-FQEVSTJZSA-N 0 0 416.949 4.197 40 0 HIABRN CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000223189655 568540613 /nfs/dbraw/zinc/54/06/13/568540613.db2.gz JRBOUJNEUIQFDN-XMMPIXPASA-N 0 0 404.485 4.102 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CSCc1cccc(Cl)c1 ZINC000223197559 568540876 /nfs/dbraw/zinc/54/08/76/568540876.db2.gz REVGBPBINSHHOU-LJQANCHMSA-N 0 0 422.953 4.266 40 0 HIABRN CC[C@H](C(=O)NC(C)(C)Cc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000223202413 568540908 /nfs/dbraw/zinc/54/09/08/568540908.db2.gz BAZQKPFTSSWWGT-LJQANCHMSA-N 0 0 422.978 4.022 40 0 HIABRN CSc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)c1 ZINC000223264801 568543359 /nfs/dbraw/zinc/54/33/59/568543359.db2.gz HNFBZKOWBOFDRW-UHFFFAOYSA-N 0 0 424.547 4.412 40 0 HIABRN C[C@@H]1Cc2cc(S(=O)(=O)N(C)c3ccccc3)ccc2N1C(=O)c1ccccc1 ZINC000223268905 568543576 /nfs/dbraw/zinc/54/35/76/568543576.db2.gz LGOWPRDSDPLLIX-QGZVFWFLSA-N 0 0 406.507 4.103 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1Cl ZINC000223270640 568543581 /nfs/dbraw/zinc/54/35/81/568543581.db2.gz CQRAQOWDACYFPC-MRXNPFEDSA-N 0 0 420.912 4.192 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(F)cc1 ZINC000223282227 568543991 /nfs/dbraw/zinc/54/39/91/568543991.db2.gz CRRDSOWGQBEMFL-GOSISDBHSA-N 0 0 411.304 4.228 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 ZINC000223283318 568544068 /nfs/dbraw/zinc/54/40/68/568544068.db2.gz CJUAXWXYZXYGNI-LJQANCHMSA-N 0 0 407.341 4.398 40 0 HIABRN COc1cc(C)c([C@H](C)NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1C(C)C ZINC000223297125 568544386 /nfs/dbraw/zinc/54/43/86/568544386.db2.gz HQCLGGCIKGSSFX-INIZCTEOSA-N 0 0 418.559 4.014 40 0 HIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(F)cc1 ZINC000223311792 568544817 /nfs/dbraw/zinc/54/48/17/568544817.db2.gz BMRCTOPSYJDWMB-NRFANRHFSA-N 0 0 414.521 4.235 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1C[C@@H]1CCCO1 ZINC000223321997 568545233 /nfs/dbraw/zinc/54/52/33/568545233.db2.gz MLSAETAYAMWUTG-WTOYTKOKSA-N 0 0 405.523 4.493 40 0 HIABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccccc2C)cc1 ZINC000223344353 568545807 /nfs/dbraw/zinc/54/58/07/568545807.db2.gz PEQZIBFMSMIWRD-JVDNRXPZSA-N 0 0 404.466 4.245 40 0 HIABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(OC(C)C)cc2)c1 ZINC000223392526 568547288 /nfs/dbraw/zinc/54/72/88/568547288.db2.gz JPMFKIBXGBCWTR-HAHDFKILSA-N 0 0 418.493 4.463 40 0 HIABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000223410283 568547881 /nfs/dbraw/zinc/54/78/81/568547881.db2.gz OYOIZKHMUKEGGE-RBBKRZOGSA-N 0 0 414.933 4.115 40 0 HIABRN Cc1cc(C)c([C@@H](C)NC(=O)CN(c2cccc3ccccc32)S(C)(=O)=O)cc1C ZINC000223415914 568548182 /nfs/dbraw/zinc/54/81/82/568548182.db2.gz KCDRHALYLROAJF-LJQANCHMSA-N 0 0 424.566 4.408 40 0 HIABRN COC(=O)c1ccc(NC2CCCCC2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000223417829 568548236 /nfs/dbraw/zinc/54/82/36/568548236.db2.gz WNKPGJFWRVGADB-UHFFFAOYSA-N 0 0 418.515 4.027 40 0 HIABRN CNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 ZINC000223420434 568548373 /nfs/dbraw/zinc/54/83/73/568548373.db2.gz FPXXNUGRUVNDMR-HSZRJFAPSA-N 0 0 406.913 4.399 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000223419549 568548446 /nfs/dbraw/zinc/54/84/46/568548446.db2.gz LVLNODXONRXBFU-OAQYLSRUSA-N 0 0 414.571 4.039 40 0 HIABRN CC[C@@H](C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000223455292 568549269 /nfs/dbraw/zinc/54/92/69/568549269.db2.gz ZIJTYJZOHOFMCA-UWJYYQICSA-N 0 0 420.550 4.173 40 0 HIABRN CC[C@H](C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000223455352 568549275 /nfs/dbraw/zinc/54/92/75/568549275.db2.gz ZIJTYJZOHOFMCA-LAUBAEHRSA-N 0 0 420.550 4.173 40 0 HIABRN Cc1ccc(OCCNC(=O)CSCc2ccc(Br)cc2)c(C)c1 ZINC000223454541 568549285 /nfs/dbraw/zinc/54/92/85/568549285.db2.gz UFJJVOMWPXLQNA-UHFFFAOYSA-N 0 0 408.361 4.494 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223459230 568549510 /nfs/dbraw/zinc/54/95/10/568549510.db2.gz AKQUTYLPSVZJIY-LJQANCHMSA-N 0 0 423.340 4.098 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223458882 568549563 /nfs/dbraw/zinc/54/95/63/568549563.db2.gz JWMDBHWVTOPWTO-IBGZPJMESA-N 0 0 423.340 4.098 40 0 HIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccccc2)N1Cc1cccnc1 ZINC000223469436 568549800 /nfs/dbraw/zinc/54/98/00/568549800.db2.gz MGGYMDGDBFGUKF-GOTSBHOMSA-N 0 0 411.534 4.440 40 0 HIABRN COc1ccccc1CNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(C)=O ZINC000223474376 568549821 /nfs/dbraw/zinc/54/98/21/568549821.db2.gz DKVLWNHDBURHOD-DEOSSOPVSA-N 0 0 420.484 4.241 40 0 HIABRN COc1ccccc1CNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(C)=O ZINC000223474316 568549897 /nfs/dbraw/zinc/54/98/97/568549897.db2.gz DKVLWNHDBURHOD-XMMPIXPASA-N 0 0 420.484 4.241 40 0 HIABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccccn1)c1ccccc1 ZINC000223482619 568550108 /nfs/dbraw/zinc/55/01/08/568550108.db2.gz WUVGMIXSSBJPNY-DEOSSOPVSA-N 0 0 419.500 4.407 40 0 HIABRN CCN(c1ccc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1)S(=O)(=O)CC ZINC000223486535 568550264 /nfs/dbraw/zinc/55/02/64/568550264.db2.gz JOCWVXPKSSZEAP-SFHVURJKSA-N 0 0 402.560 4.279 40 0 HIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCC2CCCCC2)c2cccc(C)c2)cc1 ZINC000223545320 568551420 /nfs/dbraw/zinc/55/14/20/568551420.db2.gz DCYGDXYQKWHMQK-UHFFFAOYSA-N 0 0 414.571 4.195 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSc1ccc(Cl)cc1 ZINC000223549018 568551544 /nfs/dbraw/zinc/55/15/44/568551544.db2.gz KLOJSIHBCZXGLI-MRXNPFEDSA-N 0 0 404.963 4.294 40 0 HIABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1cccc(C)c1C ZINC000223559227 568551736 /nfs/dbraw/zinc/55/17/36/568551736.db2.gz XVEVPQIIBFQATK-NRFANRHFSA-N 0 0 410.558 4.058 40 0 HIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1 ZINC000223561649 568551812 /nfs/dbraw/zinc/55/18/12/568551812.db2.gz DVNHSJIFHXNDBN-NRFANRHFSA-N 0 0 416.949 4.443 40 0 HIABRN Cc1ccc(Sc2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCO)o2)cc1 ZINC000223572881 568552075 /nfs/dbraw/zinc/55/20/75/568552075.db2.gz QTCGSHDHFATUII-PMACEKPBSA-N 0 0 411.552 4.099 40 0 HIABRN CSc1ccc(S(=O)(=O)NCc2nc(-c3ccc(C(C)C)cc3)no2)cc1 ZINC000223589430 568552525 /nfs/dbraw/zinc/55/25/25/568552525.db2.gz SGLAVBQWHPOHQH-UHFFFAOYSA-N 0 0 403.529 4.060 40 0 HIABRN OCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1 ZINC000223629613 568553984 /nfs/dbraw/zinc/55/39/84/568553984.db2.gz NOUDEMBOCDBLGE-PMACEKPBSA-N 0 0 411.552 4.181 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)(C)C ZINC000223635821 568554344 /nfs/dbraw/zinc/55/43/44/568554344.db2.gz WYJNELYKLKDARQ-IBGZPJMESA-N 0 0 410.558 4.225 40 0 HIABRN CSc1ccc(S(=O)(=O)N[C@H]2CCCc3ccccc32)cc1NC(=O)C(C)C ZINC000223648190 568554775 /nfs/dbraw/zinc/55/47/75/568554775.db2.gz NTHILYGBWGPFBB-SFHVURJKSA-N 0 0 418.584 4.359 40 0 HIABRN CC(C)(C)c1ccccc1OCCNC(=O)c1ccccc1I ZINC000223670929 568555620 /nfs/dbraw/zinc/55/56/20/568555620.db2.gz GACIBOHNALTBTI-UHFFFAOYSA-N 0 0 423.294 4.398 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(C)cc1 ZINC000223684468 568556205 /nfs/dbraw/zinc/55/62/05/568556205.db2.gz GAIXWAOVKXWKSB-QGZVFWFLSA-N 0 0 418.990 4.435 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1cc(C)cc(C)c1C ZINC000223715974 568557178 /nfs/dbraw/zinc/55/71/78/568557178.db2.gz VWYHDBUHDKXSRM-GOSISDBHSA-N 0 0 416.949 4.197 40 0 HIABRN CCOc1cccc(CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 ZINC000223718356 568557288 /nfs/dbraw/zinc/55/72/88/568557288.db2.gz YSIDEPKCWUZWOF-UHFFFAOYSA-N 0 0 404.315 4.221 40 0 HIABRN COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(C(C)C)c1C ZINC000223719640 568557420 /nfs/dbraw/zinc/55/74/20/568557420.db2.gz VPWYZSDTFHMYQN-RTWAWAEBSA-N 0 0 414.575 4.007 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1cccc(C)c1 ZINC000223723377 568557457 /nfs/dbraw/zinc/55/74/57/568557457.db2.gz ABIPKPRIQKADME-QGZVFWFLSA-N 0 0 418.990 4.435 40 0 HIABRN CCCC[C@@H](CC)CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000223745109 568557886 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0 420.534 4.005 40 0 HIABRN CC[C@@H](c1ccc(F)cc1)n1cc(C(=O)Nc2ncc(-c3ccc(F)cc3)n2C)nn1 ZINC000019660102 571309411 /nfs/dbraw/zinc/30/94/11/571309411.db2.gz RNCVIZLDNAUJFM-IBGZPJMESA-N 0 0 422.439 4.209 40 0 HIABRN COc1ccc2cc(CN(C(=S)NCc3ccccc3)C3CCCC3)c(=O)[nH]c2c1 ZINC000000879786 845001357 /nfs/dbraw/zinc/00/13/57/845001357.db2.gz CFZCTEFNVPLSBR-UHFFFAOYSA-N 0 0 421.566 4.356 40 0 HIABRN CC1=C[C@@H](CNC(=O)C2CC2)[C@H](C(C)C)C[C@H]1CC(=O)NCc1ccc(F)cc1 ZINC000030880434 291262223 /nfs/dbraw/zinc/26/22/23/291262223.db2.gz BCQHIWWGPXPPHZ-ONTIZHBOSA-N 0 0 400.538 4.213 40 0 biogenic,in-vitro HIABRN COc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(C(F)(F)F)cc3)n2)cn1 ZINC000035425885 291265920 /nfs/dbraw/zinc/26/59/20/291265920.db2.gz SFKCFRGLOVIRNB-INIZCTEOSA-N 0 0 404.392 4.496 40 0 biogenic,in-vitro HIABRN COCCOc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)NCc1cccs1)CC2 ZINC000004222663 291264377 /nfs/dbraw/zinc/26/43/77/291264377.db2.gz XXBORNQDXOSZDZ-FUHWJXTLSA-N 0 0 401.572 4.448 40 0 biogenic,in-vitro HIABRN 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CCOc1ccc(CN2CCN(c3c(F)cccc3[C@@H](O)c3ccccn3)CC2)cc1 ZINC000012089669 132353935 /nfs/dbraw/zinc/35/39/35/132353935.db2.gz HXSGCLGCONLJAY-RUZDIDTESA-N 0 0 421.516 4.023 40 0 HIABRN Cc1ccc(NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)c(Br)c1 ZINC000013562871 132456858 /nfs/dbraw/zinc/45/68/58/132456858.db2.gz UYTMGIVLMNRRHL-UHFFFAOYSA-N 0 0 422.754 4.172 40 0 HIABRN Cc1cc(C)n(CCc2nnc(NC(=O)c3ccc(N4CCC(C)CC4)cc3)s2)n1 ZINC000019664225 132468727 /nfs/dbraw/zinc/46/87/27/132468727.db2.gz XZKVEQMSJFJPLT-UHFFFAOYSA-N 0 0 424.574 4.083 40 0 HIABRN COc1cccc(CN2CCCc3c(C)nc([C@H]4CCCN(C(=O)C(C)C)C4)nc32)c1 ZINC000019706578 132469031 /nfs/dbraw/zinc/46/90/31/132469031.db2.gz QJUVHSSZNPQUQI-FQEVSTJZSA-N 0 0 422.573 4.108 40 0 HIABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000022245983 132474382 /nfs/dbraw/zinc/47/43/82/132474382.db2.gz BNIONDJZXCRZSS-UHFFFAOYSA-N 0 0 414.481 4.436 40 0 HIABRN Cc1ccc(-c2noc(CN(C)C(=O)[C@@H]3CCCN(c4ccc(C)cc4)C3)n2)cc1 ZINC000022255786 132474432 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COc1cc(NC(=S)NC(=O)c2cc(C)cc(C)c2)ccc1-c1ccc(CO)o1 ZINC000020152183 558341375 /nfs/dbraw/zinc/34/13/75/558341375.db2.gz HPTPHIJVLTVEOQ-UHFFFAOYSA-N 0 0 410.495 4.191 40 0 HIABRN Cc1cc(-c2cnc(N(C)C)nc2-c2ccc(CNC(=O)[C@@H]3CC=CCC3)cc2)on1 ZINC000012159282 558341395 /nfs/dbraw/zinc/34/13/95/558341395.db2.gz QNAFKQDPWVKJMQ-LJQANCHMSA-N 0 0 417.513 4.146 40 0 HIABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(-c2ccc(CO)o2)c(C)c1 ZINC000020153398 558341733 /nfs/dbraw/zinc/34/17/33/558341733.db2.gz JERBKGXRQYKOIQ-UHFFFAOYSA-N 0 0 410.495 4.191 40 0 HIABRN CCOC(=O)c1c(NC(=O)CCc2ccc(OC)c(OC)c2)sc2c1CCCC2 ZINC000020158638 558342280 /nfs/dbraw/zinc/34/22/80/558342280.db2.gz MYCOFYBEIORCOV-UHFFFAOYSA-N 0 0 417.527 4.392 40 0 HIABRN Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@H]1CCCN(C(=O)CCc3ccccc3)C1)N2 ZINC000012181589 558343032 /nfs/dbraw/zinc/34/30/32/558343032.db2.gz PKUQKKZCICRRFG-GBESFXJTSA-N 0 0 420.479 4.351 40 0 HIABRN O=C(c1cccc2cccnc21)N1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000012184435 558344383 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CCc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)Cc3ccccn3)cc2n1 ZINC000019522204 558903605 /nfs/dbraw/zinc/90/36/05/558903605.db2.gz UMQCUOQHGDDOLZ-QGZVFWFLSA-N 0 0 417.435 4.002 40 0 HIABRN CCc1cc(C(=O)N2CCC[C@H]2c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)no1 ZINC000019522634 558903939 /nfs/dbraw/zinc/90/39/39/558903939.db2.gz GCBHVHSXGDAGEW-INIZCTEOSA-N 0 0 421.423 4.399 40 0 HIABRN CCc1cc(C(=O)N2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](CC)N3)no1 ZINC000019522632 558903970 /nfs/dbraw/zinc/90/39/70/558903970.db2.gz HIAQZSVQOQOORW-HFBAOOFYSA-N 0 0 411.428 4.108 40 0 HIABRN CCn1ncc(-c2cc(C(=O)N[C@H](c3ccc(Cl)cc3)c3cccnc3)no2)c1C ZINC000019524047 558905360 /nfs/dbraw/zinc/90/53/60/558905360.db2.gz MLQHBFHJQDHWAH-OAQYLSRUSA-N 0 0 421.888 4.434 40 0 HIABRN CCNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)C(C)(C)C)C1 ZINC000019528342 558909487 /nfs/dbraw/zinc/90/94/87/558909487.db2.gz XHAJDEYHHVJCLB-RUZDIDTESA-N 0 0 407.558 4.082 40 0 HIABRN CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)CC(C)C)C1 ZINC000019528877 558910407 /nfs/dbraw/zinc/91/04/07/558910407.db2.gz ONNJDLCUFFKDBJ-VWLOTQADSA-N 0 0 410.533 4.436 40 0 HIABRN CCOC(=O)C1(Cc2cc(-c3cccc(C)c3)no2)CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 ZINC000019530125 558911437 /nfs/dbraw/zinc/91/14/37/558911437.db2.gz BTMJIIURZIYQFK-FXAWDEMLSA-N 0 0 410.514 4.020 40 0 HIABRN CCOc1ccc(CCC(=O)N2CCCC[C@H]2c2nn(C)cc2-c2cc(C)no2)cc1 ZINC000019533135 558913067 /nfs/dbraw/zinc/91/30/67/558913067.db2.gz PZOCKEQNSCBTFF-NRFANRHFSA-N 0 0 422.529 4.469 40 0 HIABRN CCOc1ccc(CN2CCCC[C@H]2c2cc(=O)[nH]c(-c3ccncc3)n2)cc1OC ZINC000019533855 558913290 /nfs/dbraw/zinc/91/32/90/558913290.db2.gz WSEPJZISWFUDEK-FQEVSTJZSA-N 0 0 420.513 4.379 40 0 HIABRN Cc1nc(C2=CCN(Cc3ccc(F)cc3Cl)CC2)nc(N2CCOCC2)c1C ZINC000019555252 558918172 /nfs/dbraw/zinc/91/81/72/558918172.db2.gz ZYHAZAHAVUZXOG-UHFFFAOYSA-N 0 0 416.928 4.012 40 0 HIABRN COc1ccc(-c2cc(-c3cccnc3)n(CCNC(=O)[C@H]3CC=CCC3)n2)cc1 ZINC000019557971 558919752 /nfs/dbraw/zinc/91/97/52/558919752.db2.gz WIUCQQUCQRCLMX-IBGZPJMESA-N 0 0 402.498 4.093 40 0 HIABRN Cc1ncsc1-c1nnc([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)o1 ZINC000019562547 558923035 /nfs/dbraw/zinc/92/30/35/558923035.db2.gz FFDKRZLSYNDXQV-MRXNPFEDSA-N 0 0 411.462 4.489 40 0 HIABRN COc1ccc2oc(C(=O)N3CCC[C@]4(CCC(=O)N4)[C@H]3c3cccc(F)c3)cc2c1 ZINC000019563595 558923679 /nfs/dbraw/zinc/92/36/79/558923679.db2.gz IVBPIQATMIFYOB-VWNXMTODSA-N 0 0 422.456 4.207 40 0 HIABRN COc1cccc(C(=O)NCCn2ncc(-c3ccncc3)c2-c2ccccc2F)c1 ZINC000019564807 558924912 /nfs/dbraw/zinc/92/49/12/558924912.db2.gz WZTGEFWEICEOCM-UHFFFAOYSA-N 0 0 416.456 4.190 40 0 HIABRN Cc1nn(-c2ccc(F)cc2)c2nc3c(cc12)CN(CCc1cccs1)C(=O)O3 ZINC000019565694 558925690 /nfs/dbraw/zinc/92/56/90/558925690.db2.gz IJVYCYYYPUUUMH-UHFFFAOYSA-N 0 0 408.458 4.487 40 0 HIABRN Cc1cc(C(=O)N2CCC[C@H](COc3ccccc3F)C2)c2cnn(C(C)C)c2n1 ZINC000019569468 558928550 /nfs/dbraw/zinc/92/85/50/558928550.db2.gz FJGTVJCCFGCDLQ-KRWDZBQOSA-N 0 0 410.493 4.391 40 0 HIABRN CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccc(NC(C)=O)cc1 ZINC000059099169 558931888 /nfs/dbraw/zinc/93/18/88/558931888.db2.gz FRVVBDUWGAGHMR-UHFFFAOYSA-N 0 0 423.542 4.271 40 0 HIABRN Cc1cc(C)n(Cc2ccc(C(=O)N3CCC(c4noc5cc(F)ccc54)CC3)o2)n1 ZINC000019574454 558932103 /nfs/dbraw/zinc/93/21/03/558932103.db2.gz QYMZMSSYYLOFNC-UHFFFAOYSA-N 0 0 422.460 4.441 40 0 HIABRN Cc1[nH]c2cc(C(=O)N[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C(C)C)ccc2c1C ZINC000019576889 558932911 /nfs/dbraw/zinc/93/29/11/558932911.db2.gz UUPZODLSAVUMSM-QFIPXVFZSA-N 0 0 415.497 4.057 40 0 HIABRN Cc1nn([C@H](C)CC(=O)NCC2(c3ccccc3F)CCOCC2)c(C)c1Cl ZINC000019577560 558933361 /nfs/dbraw/zinc/93/33/61/558933361.db2.gz UGGFKIQXOYBXFE-CQSZACIVSA-N 0 0 407.917 4.108 40 0 HIABRN COc1ccc2[nH]c3c(c2c1)CN(C(=O)C[C@@H](C)n1nc(C)c(Cl)c1C)CC3 ZINC000019577543 558933375 /nfs/dbraw/zinc/93/33/75/558933375.db2.gz UQYKZOHLPXLPLA-GFCCVEGCSA-N 0 0 400.910 4.179 40 0 HIABRN Cc1nn(C[C@@H](C)C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c(C)c1Cl ZINC000019578201 558933980 /nfs/dbraw/zinc/93/39/80/558933980.db2.gz GYYFKBAVGALIFH-XCLFUZPHSA-N 0 0 405.926 4.074 40 0 HIABRN CN(C)C(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CCN(C(=O)[C@@H]2CC23CCC3)C1 ZINC000019579672 558935262 /nfs/dbraw/zinc/93/52/62/558935262.db2.gz XRUBABUYWWAPQK-SQJMNOBHSA-N 0 0 422.594 4.455 40 0 HIABRN Cc1nc2ccc(C(=O)N3CCC[C@H](c4ncncc4-c4ccncc4)C3)cc2nc1C ZINC000072334700 558935809 /nfs/dbraw/zinc/93/58/09/558935809.db2.gz WWIIXTIFUIYMFV-FQEVSTJZSA-N 0 0 424.508 4.118 40 0 HIABRN Cc1noc(C)c1CCC(=O)N1CCC[C@@H]1c1nnc(-c2nccc3ccccc32)o1 ZINC000019580695 558936451 /nfs/dbraw/zinc/93/64/51/558936451.db2.gz MWNAQIBMVBUVJD-LJQANCHMSA-N 0 0 417.469 4.186 40 0 HIABRN CCCC(=O)N1CCC(Cc2ccc(-c3cccnc3)cc2)(C(=O)NC(C)C)CC1 ZINC000072345167 558941629 /nfs/dbraw/zinc/94/16/29/558941629.db2.gz OHPJHBXFNZRKMK-UHFFFAOYSA-N 0 0 407.558 4.225 40 0 HIABRN CNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)CC2CCCC2)C1 ZINC000019591421 558941981 /nfs/dbraw/zinc/94/19/81/558941981.db2.gz CBZVAMDGUQVMID-SANMLTNESA-N 0 0 404.554 4.441 40 0 HIABRN CNc1cc(C2CCN(C(=O)CCc3cccc(F)c3)CC2)nc(-c2ccncc2)n1 ZINC000019592287 558943318 /nfs/dbraw/zinc/94/33/18/558943318.db2.gz JDCLQKLCGWIVGP-UHFFFAOYSA-N 0 0 419.504 4.058 40 0 HIABRN COc1ccccc1OCCNC(=O)CSCc1c(Cl)cccc1Cl ZINC000060825113 558943574 /nfs/dbraw/zinc/94/35/74/558943574.db2.gz SKAZYZZTIYYGEO-UHFFFAOYSA-N 0 0 400.327 4.430 40 0 HIABRN COCc1ccc(OC)c(CN2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)c1 ZINC000019594346 558945425 /nfs/dbraw/zinc/94/54/25/558945425.db2.gz RRWMPVHZJKCRCE-OAQYLSRUSA-N 0 0 420.513 4.126 40 0 HIABRN Cc1nc2ccccc2n1Cc1cc(NCCCN(C)c2ccccc2)nc(C)n1 ZINC000019655721 558949036 /nfs/dbraw/zinc/94/90/36/558949036.db2.gz PZYHYFNJMKVBLV-UHFFFAOYSA-N 0 0 400.530 4.430 40 0 HIABRN CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)Cn1c(=O)oc2ccc(Cl)cc21 ZINC000019659861 558951115 /nfs/dbraw/zinc/95/11/15/558951115.db2.gz XFYGLIOTGRKOHK-CYBMUJFWSA-N 0 0 412.877 4.056 40 0 HIABRN Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2cc(Cc3ccccc3C)cc(C)n2)C1 ZINC000072353986 558951270 /nfs/dbraw/zinc/95/12/70/558951270.db2.gz WINHDLLALOCBCL-JOCHJYFZSA-N 0 0 402.542 4.351 40 0 HIABRN Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN2C(=O)CCc2ccc(F)cc2)n1 ZINC000072354930 558952149 /nfs/dbraw/zinc/95/21/49/558952149.db2.gz YKLZKOXZNKIVCJ-HXUWFJFHSA-N 0 0 408.452 4.300 40 0 HIABRN C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)C1(c2cccc(F)c2)CCOCC1 ZINC000019662019 558953027 /nfs/dbraw/zinc/95/30/27/558953027.db2.gz LPGDQPUVRGPOLY-MRXNPFEDSA-N 0 0 412.480 4.252 40 0 HIABRN O=C(CN1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1)NC1CCCCC1 ZINC000072358589 558954151 /nfs/dbraw/zinc/95/41/51/558954151.db2.gz MWVJRKVBWJVLFW-GOSISDBHSA-N 0 0 412.965 4.425 40 0 HIABRN Cc1cccc2c(C(=O)Nc3ccc4c(c3)OCC(=O)N4)cc(-c3ccccn3)nc12 ZINC000019663809 558954380 /nfs/dbraw/zinc/95/43/80/558954380.db2.gz FRSMWHFNNBZHLF-UHFFFAOYSA-N 0 0 410.433 4.188 40 0 HIABRN Cc1onc(C(=O)Nc2nc(-c3ccccn3)cs2)c1COc1ccccc1F ZINC000019663939 558954658 /nfs/dbraw/zinc/95/46/58/558954658.db2.gz OTVXNEDFIQGAPD-UHFFFAOYSA-N 0 0 410.430 4.472 40 0 HIABRN CC[C@@H](NC(=O)c1cc(-c2cnn(C)c2)nc2ccccc21)c1c(C)nn(CC)c1C ZINC000019664619 558955103 /nfs/dbraw/zinc/95/51/03/558955103.db2.gz JJILBLGPXHXQRU-HXUWFJFHSA-N 0 0 416.529 4.350 40 0 HIABRN Cn1ccnc1CN1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359739 558955359 /nfs/dbraw/zinc/95/53/59/558955359.db2.gz KLINHUYIUBBQSM-INIZCTEOSA-N 0 0 401.436 4.276 40 0 HIABRN O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1nc(-c2ccccn2)cs1 ZINC000019666213 558956074 /nfs/dbraw/zinc/95/60/74/558956074.db2.gz LNJLOYRXVRRBOX-UHFFFAOYSA-N 0 0 401.875 4.201 40 0 HIABRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCc3nc(Cc4ccccc4)no3)c2)n1 ZINC000019666449 558956243 /nfs/dbraw/zinc/95/62/43/558956243.db2.gz YAWSXOIEFJOTRV-UHFFFAOYSA-N 0 0 421.888 4.046 40 0 HIABRN Cc1nc(C)n(CCC(=O)N2CCC[C@H]2c2cc(Cc3ccccc3C)cc(C)n2)n1 ZINC000019686988 558957080 /nfs/dbraw/zinc/95/70/80/558957080.db2.gz MJNOAHAPOINEPL-DEOSSOPVSA-N 0 0 417.557 4.251 40 0 HIABRN Cc1ccc(Cc2ccc([C@H]3CCCN3C(=O)Cn3nnc4ccccc43)nc2)cc1 ZINC000019687968 558957499 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HIABRN Cc1cccc(Nc2ccc(C3CCN(S(=O)(=O)c4ccccc4)CC3)nc2)n1 ZINC000072374193 558961728 /nfs/dbraw/zinc/96/17/28/558961728.db2.gz HJPZTSPTERHVGU-UHFFFAOYSA-N 0 0 408.527 4.097 40 0 HIABRN CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)cc1 ZINC000064477029 558963567 /nfs/dbraw/zinc/96/35/67/558963567.db2.gz LEHGRWSUCOVGTE-UHFFFAOYSA-N 0 0 404.557 4.272 40 0 HIABRN CCc1nnc(Nc2cccc([C@H]3CCCN3C(=O)c3ccc(COC)cc3)n2)s1 ZINC000072375442 558964039 /nfs/dbraw/zinc/96/40/39/558964039.db2.gz YMFHCKCLGHOEEE-GOSISDBHSA-N 0 0 423.542 4.363 40 0 HIABRN O=C(CN1CCC[C@H](c2cccc(Nc3ccccn3)n2)C1)Nc1ccccc1F ZINC000072375959 558965106 /nfs/dbraw/zinc/96/51/06/558965106.db2.gz PRIADBSPROMJGT-KRWDZBQOSA-N 0 0 405.477 4.177 40 0 HIABRN CCc1ncc(CN2CCC([C@@H]3CCCCN(Cc4ccccc4)C3=O)CC2)cn1 ZINC000019703361 558967438 /nfs/dbraw/zinc/96/74/38/558967438.db2.gz XRCIYVZAERODGL-QHCPKHFHSA-N 0 0 406.574 4.080 40 0 HIABRN O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H](c2n[nH]cc2-c2ccccc2)C1 ZINC000072380283 558968466 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C[C@@H]1CCCC2=C1NN(C(=O)COc1ccc(C(C)(C)C)cc1)[C@@]2(O)C(F)(F)F ZINC000409175301 560687051 /nfs/dbraw/zinc/68/70/51/560687051.db2.gz YZUBTEIZCRAFQM-PSGMQZRDSA-N 0 0 412.452 4.248 40 0 HIABRN O=C(CSCc1ccccc1Cl)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000409176334 560687193 /nfs/dbraw/zinc/68/71/93/560687193.db2.gz KUKZGTCEKGPOMF-WBMJQRKESA-N 0 0 406.857 4.213 40 0 HIABRN COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Cl)c1OCc1ccccc1Cl ZINC000409192143 560689535 /nfs/dbraw/zinc/68/95/35/560689535.db2.gz UXDWVZRYBYQBRI-OVCLIPMQSA-N 0 0 407.253 4.104 40 0 HIABRN CCc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000409198267 560690850 /nfs/dbraw/zinc/69/08/50/560690850.db2.gz BIBOKAZFMLYTHX-UHFFFAOYSA-N 0 0 414.571 4.431 40 0 HIABRN O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NC1CCCCCC1 ZINC000409207168 560691337 /nfs/dbraw/zinc/69/13/37/560691337.db2.gz SQHKVRAXSCTZCG-UHFFFAOYSA-N 0 0 406.592 4.069 40 0 HIABRN Cc1cccc(-n2c(SCC(=O)N(C(C)C)C(C)C)nnc2-c2ccncc2)c1 ZINC000409199745 560692412 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CCOc1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Br ZINC000409246682 560701599 /nfs/dbraw/zinc/70/15/99/560701599.db2.gz AHDQBXRRXKUUIM-GZTJUZNOSA-N 0 0 415.287 4.249 40 0 HIABRN CSc1ccc(S(=O)(=O)N(CC(=O)NCCC(C)C)c2ccc(C)cc2)cc1 ZINC000409258491 560703327 /nfs/dbraw/zinc/70/33/27/560703327.db2.gz VFZHGTKORNVFQM-UHFFFAOYSA-N 0 0 420.600 4.075 40 0 HIABRN Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3c[nH]c4ccccc34)C2=O)c1 ZINC000409345427 560714629 /nfs/dbraw/zinc/71/46/29/560714629.db2.gz INFNFVAEZSPMJF-VXLYETTFSA-N 0 0 405.479 4.460 40 0 HIABRN CCn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)NC1CCCC1 ZINC000409363616 560715114 /nfs/dbraw/zinc/71/51/14/560715114.db2.gz UYJSRQRVEMTNLG-UHFFFAOYSA-N 0 0 408.568 4.021 40 0 HIABRN Cc1ccc(CNC(=O)CCc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000409359406 560715981 /nfs/dbraw/zinc/71/59/81/560715981.db2.gz NVKRPBBYBBHJND-UHFFFAOYSA-N 0 0 422.550 4.353 40 0 HIABRN CCC[C@H](C)NC(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000409409875 560721148 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CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cccc(C)c2OC)cc1 ZINC000006630414 560744692 /nfs/dbraw/zinc/74/46/92/560744692.db2.gz NGUXNSLASVEIDU-UHFFFAOYSA-N 0 0 404.466 4.422 40 0 HIABRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)COc2cccc(C)c2C)cc1 ZINC000006630387 560744713 /nfs/dbraw/zinc/74/47/13/560744713.db2.gz COBAFQVSWMVWPV-UHFFFAOYSA-N 0 0 418.493 4.487 40 0 HIABRN COc1ccccc1/C=C1\SC(=O)N(Cc2cc3c(cc2Cl)OCO3)C1=O ZINC000106740085 560746009 /nfs/dbraw/zinc/74/60/09/560746009.db2.gz BXNIKTDOVWJUIV-IDUWFGFVSA-N 0 0 403.843 4.314 40 0 HIABRN CCC[C@H](C)NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000006946205 560746969 /nfs/dbraw/zinc/74/69/69/560746969.db2.gz NHTHTYRPULPMIX-KRWDZBQOSA-N 0 0 422.978 4.144 40 0 HIABRN CCCCn1nnnc1NCc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000007262123 560750034 /nfs/dbraw/zinc/75/00/34/560750034.db2.gz YUXBPGQXEDSNRJ-UHFFFAOYSA-N 0 0 419.888 4.465 40 0 HIABRN CCCc1n[nH]c(=S)n1NCc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000007601303 560751736 /nfs/dbraw/zinc/75/17/36/560751736.db2.gz CCCNMSHUSJSQPD-UHFFFAOYSA-N 0 0 402.495 4.364 40 0 HIABRN O=C(NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1)c1ccco1 ZINC000008053622 560752613 /nfs/dbraw/zinc/75/26/13/560752613.db2.gz NHTLLSBUGYXKJO-UHFFFAOYSA-N 0 0 405.273 4.107 40 0 HIABRN CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1[C@H](C)Oc1ccccc1 ZINC000008090408 560752944 /nfs/dbraw/zinc/75/29/44/560752944.db2.gz YCUBTXSZTREPIA-HNNXBMFYSA-N 0 0 412.515 4.177 40 0 HIABRN CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 ZINC000008085992 560752984 /nfs/dbraw/zinc/75/29/84/560752984.db2.gz JFAFLQRDBFMZRQ-UHFFFAOYSA-N 0 0 414.571 4.214 40 0 HIABRN Cc1cc(Br)cc(C)c1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000008336028 560754204 /nfs/dbraw/zinc/75/42/04/560754204.db2.gz QPSZBNISFLVHMU-ZDUSSCGKSA-N 0 0 405.267 4.197 40 0 HIABRN CC(C)CNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(F)c1 ZINC000008810486 560756310 /nfs/dbraw/zinc/75/63/10/560756310.db2.gz VUABKKNEYKXMTM-UHFFFAOYSA-N 0 0 419.305 4.319 40 0 HIABRN O=C(Nc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1F)c1ccccc1F 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CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223469187 568549762 /nfs/dbraw/zinc/54/97/62/568549762.db2.gz LFMZHGZIRYYYSD-FQEVSTJZSA-N 0 0 410.558 4.188 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccccc2)N1Cc1cccnc1 ZINC000223469493 568549786 /nfs/dbraw/zinc/54/97/86/568549786.db2.gz MGGYMDGDBFGUKF-PKTZIBPZSA-N 0 0 411.534 4.440 40 0 HIABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1C1CC1 ZINC000223488463 568550236 /nfs/dbraw/zinc/55/02/36/568550236.db2.gz JNVJPOJHQDCXDM-YADHBBJMSA-N 0 0 403.555 4.403 40 0 HIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2ccco2)N1Cc1ccncc1 ZINC000223491160 568550341 /nfs/dbraw/zinc/55/03/41/568550341.db2.gz SLJKTUNXCZNAFT-FCHUYYIVSA-N 0 0 415.522 4.092 40 0 HIABRN CC(C)(C)CC(C)(C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000223504184 568550559 /nfs/dbraw/zinc/55/05/59/568550559.db2.gz MGXOKIJYTSWINI-UHFFFAOYSA-N 0 0 420.550 4.352 40 0 HIABRN CCCn1c2ccc(S(=O)(=O)N[C@H](C)c3cc(C)c(C)cc3C)cc2sc1=O ZINC000223506605 568550627 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HIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223581873 568552261 /nfs/dbraw/zinc/55/22/61/568552261.db2.gz QYQQCQQNNXYIKN-GOSISDBHSA-N 0 0 416.949 4.197 40 0 HIABRN CN(Cc1nc(-c2cccc(Cl)c2)no1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000223592498 568552572 /nfs/dbraw/zinc/55/25/72/568552572.db2.gz XIWZXQARPOMVHL-UHFFFAOYSA-N 0 0 413.886 4.364 40 0 HIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CC ZINC000223636086 568554334 /nfs/dbraw/zinc/55/43/34/568554334.db2.gz DAOXEBGZIYMSEZ-LJQANCHMSA-N 0 0 407.341 4.479 40 0 HIABRN COc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)c(OC)c1 ZINC000223645317 568554689 /nfs/dbraw/zinc/55/46/89/568554689.db2.gz KZTCNQBNUSJBDJ-MOSHPQCFSA-N 0 0 406.438 4.015 40 0 HIABRN CN(Cc1nc(-c2cccs2)no1)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223648464 568554779 /nfs/dbraw/zinc/55/47/79/568554779.db2.gz QUMWCCYQXRFIOP-UHFFFAOYSA-N 0 0 418.327 4.067 40 0 HIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(F)cc1 ZINC000223673110 568555706 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COc1ccc(S(=O)(=O)NCc2ccc(C(C)(C)C)cc2)cc1Br ZINC000223729375 568557625 /nfs/dbraw/zinc/55/76/25/568557625.db2.gz RSCCNEBFZGWJJT-UHFFFAOYSA-N 0 0 412.349 4.234 40 0 HIABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 ZINC000223735622 568557650 /nfs/dbraw/zinc/55/76/50/568557650.db2.gz KZRFNJUTQGWOMD-VXKWHMMOSA-N 0 0 421.522 4.267 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C(C)C ZINC000223768684 568558593 /nfs/dbraw/zinc/55/85/93/568558593.db2.gz WKGKUQWRKSSJNQ-QGZVFWFLSA-N 0 0 416.949 4.396 40 0 HIABRN COc1ccc(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223784231 568558973 /nfs/dbraw/zinc/55/89/73/568558973.db2.gz HBVYMJMVGIOKKY-IBGZPJMESA-N 0 0 408.542 4.022 40 0 HIABRN Cc1ccc(CN(C(=O)COc2ccc(C)c(C)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223811641 568559703 /nfs/dbraw/zinc/55/97/03/568559703.db2.gz BWIMTBFJVHYJMX-NRFANRHFSA-N 0 0 422.569 4.467 40 0 HIABRN COc1ccc(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223812807 568559716 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409.935 4.005 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C ZINC000223877098 568561612 /nfs/dbraw/zinc/56/16/12/568561612.db2.gz BWBYJUGDJSBTDZ-OAHLLOKOSA-N 0 0 407.341 4.398 40 0 HIABRN CCOc1ccc([C@H](C)NS(=O)(=O)c2cc(C)c(OC)cc2C)cc1OCC ZINC000223878023 568561746 /nfs/dbraw/zinc/56/17/46/568561746.db2.gz HVCMWONTMYAEMR-INIZCTEOSA-N 0 0 407.532 4.149 40 0 HIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1Cl ZINC000223882090 568561826 /nfs/dbraw/zinc/56/18/26/568561826.db2.gz XXZHYBKJJUGSSF-MRXNPFEDSA-N 0 0 404.913 4.355 40 0 HIABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000223887827 568562009 /nfs/dbraw/zinc/56/20/09/568562009.db2.gz KYGOKYZJSYBBIN-KKSFZXQISA-N 0 0 417.571 4.422 40 0 HIABRN CCC1(CC)C[C@H](NS(=O)(=O)c2cc(OC)ccc2OC)c2ccccc2O1 ZINC000223889938 568562147 /nfs/dbraw/zinc/56/21/47/568562147.db2.gz TVDYSXKRKWXDDW-KRWDZBQOSA-N 0 0 405.516 4.065 40 0 HIABRN O=C(NCc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000223977354 568565178 /nfs/dbraw/zinc/56/51/78/568565178.db2.gz SUFQOWXFIPJNBT-UHFFFAOYSA-N 0 0 418.877 4.210 40 0 HIABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccc(C)cc3)cc2)cc1 ZINC000223985496 568565266 /nfs/dbraw/zinc/56/52/66/568565266.db2.gz WPSAXXGEAWSLPZ-KRWDZBQOSA-N 0 0 424.522 4.295 40 0 HIABRN CCCC[C@@H](CC)CNC(=O)[C@@H](C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000224014356 568566391 /nfs/dbraw/zinc/56/63/91/568566391.db2.gz ZPPQBNMLRBDLRM-ZIAGYGMSSA-N 0 0 423.406 4.481 40 0 HIABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(F)c3)cc2C)cc1 ZINC000224012794 568566447 /nfs/dbraw/zinc/56/64/47/568566447.db2.gz MUXNMRMRURGNSR-UHFFFAOYSA-N 0 0 414.458 4.196 40 0 HIABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1 ZINC000224017116 568566517 /nfs/dbraw/zinc/56/65/17/568566517.db2.gz OJOIGFVMCIVXNO-INIZCTEOSA-N 0 0 402.922 4.051 40 0 HIABRN CCCC[C@@H](CC)CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000224026656 568566774 /nfs/dbraw/zinc/56/67/74/568566774.db2.gz PJMSMFMQVMLWTF-OAHLLOKOSA-N 0 0 400.972 4.071 40 0 HIABRN O=C(NCC1=CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000224028488 568566877 /nfs/dbraw/zinc/56/68/77/568566877.db2.gz VANMXUXSKGDRTH-UHFFFAOYSA-N 0 0 410.967 4.135 40 0 HIABRN CCOc1ccc(-c2noc(CN(C)C(=O)c3ccc(OC)c(Cl)c3)n2)cc1 ZINC000224028794 568566980 /nfs/dbraw/zinc/56/69/80/568566980.db2.gz AWRFGQHJCFDWFO-UHFFFAOYSA-N 0 0 401.850 4.070 40 0 HIABRN CCCC[C@H](CC)CNC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000224044405 568567456 /nfs/dbraw/zinc/56/74/56/568567456.db2.gz IJFJGQAIPRKNOF-CVEARBPZSA-N 0 0 402.988 4.136 40 0 HIABRN COc1ccc(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000224044635 568567510 /nfs/dbraw/zinc/56/75/10/568567510.db2.gz VSVDZPLLHUAOBU-INIZCTEOSA-N 0 0 416.949 4.223 40 0 HIABRN Cc1ccc(OCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000224049763 568567671 /nfs/dbraw/zinc/56/76/71/568567671.db2.gz FEUCMYFARCRJTG-QGZVFWFLSA-N 0 0 416.949 4.359 40 0 HIABRN COc1ccc(CN(C(=O)CCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000224048760 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CC[C@H](C(=O)Nc1ccc(Cl)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013711978 558576467 /nfs/dbraw/zinc/57/64/67/558576467.db2.gz DYKXBBWEWKMFRH-MRXNPFEDSA-N 0 0 401.315 4.177 40 0 HIABRN CC[C@@H](C(=O)Nc1cc(Cl)ccc1C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712245 558576547 /nfs/dbraw/zinc/57/65/47/558576547.db2.gz LSASHERQNWGHFK-KRWDZBQOSA-N 0 0 415.342 4.485 40 0 HIABRN CC[C@H](C(=O)Nc1cc(Cl)ccc1C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712242 558576609 /nfs/dbraw/zinc/57/66/09/558576609.db2.gz LSASHERQNWGHFK-QGZVFWFLSA-N 0 0 415.342 4.485 40 0 HIABRN CC[C@@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712471 558576817 /nfs/dbraw/zinc/57/68/17/558576817.db2.gz XQKQJTOPOJEODD-SFHVURJKSA-N 0 0 408.951 4.449 40 0 HIABRN CC[C@H](C(=O)NC1CCCCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712792 558576928 /nfs/dbraw/zinc/57/69/28/558576928.db2.gz FTXXYVVQZNVKDO-GOSISDBHSA-N 0 0 400.972 4.114 40 0 HIABRN CC[C@H](C(=O)Nc1ccccc1C(F)(F)F)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713364 558577322 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/nfs/dbraw/zinc/54/35/87/568543587.db2.gz SCVGOMKKULHZPF-UHFFFAOYSA-N 0 0 410.495 4.049 40 0 HIABRN CSc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1NC(=O)C(C)C ZINC000223271865 568543679 /nfs/dbraw/zinc/54/36/79/568543679.db2.gz QJPCQGCUEWQYOF-UHFFFAOYSA-N 0 0 400.472 4.082 40 0 HIABRN COc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1C(C)C ZINC000223305228 568544791 /nfs/dbraw/zinc/54/47/91/568544791.db2.gz ZIXPNOKMPFAJMF-HNNXBMFYSA-N 0 0 404.532 4.125 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccnc2)N1Cc1ccco1 ZINC000223332416 568545503 /nfs/dbraw/zinc/54/55/03/568545503.db2.gz XOCTVIBZIGYVEB-RTWAWAEBSA-N 0 0 401.495 4.033 40 0 HIABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)nc1 ZINC000223334675 568545631 /nfs/dbraw/zinc/54/56/31/568545631.db2.gz FYLKZVRROFCSMA-YADHBBJMSA-N 0 0 415.522 4.341 40 0 HIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2ccco2)N1Cc1ccco1 ZINC000223339599 568545735 /nfs/dbraw/zinc/54/57/35/568545735.db2.gz OXAWPKOQXCKISW-SFTDATJTSA-N 0 0 404.495 4.290 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1F ZINC000223371631 568546773 /nfs/dbraw/zinc/54/67/73/568546773.db2.gz SBKJTCLRQDPZJD-SFHVURJKSA-N 0 0 411.304 4.228 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C ZINC000223371297 568546830 /nfs/dbraw/zinc/54/68/30/568546830.db2.gz JBGHNQMNKIVZPH-LJQANCHMSA-N 0 0 407.341 4.398 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCSc1ccc(C)cc1 ZINC000223375480 568546905 /nfs/dbraw/zinc/54/69/05/568546905.db2.gz OVIYHPLDAWPZED-NRFANRHFSA-N 0 0 414.571 4.039 40 0 HIABRN COCCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C ZINC000223381367 568547062 /nfs/dbraw/zinc/54/70/62/568547062.db2.gz HNRSHAIEAXMALD-XZOQPEGZSA-N 0 0 420.582 4.319 40 0 HIABRN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3ccc(C)c(C)c3)o2)cc1 ZINC000223402848 568547514 /nfs/dbraw/zinc/54/75/14/568547514.db2.gz XJLXJWGMFKRQAW-UHFFFAOYSA-N 0 0 412.511 4.278 40 0 HIABRN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3ccc(C)cc3C)o2)cc1 ZINC000223402499 568547555 /nfs/dbraw/zinc/54/75/55/568547555.db2.gz HFBUDNBNXHKTKT-UHFFFAOYSA-N 0 0 412.511 4.278 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C(C)C)cc1 ZINC000223409291 568547714 /nfs/dbraw/zinc/54/77/14/568547714.db2.gz CDFITJQMIUAIIB-QHCPKHFHSA-N 0 0 410.558 4.305 40 0 HIABRN Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1C ZINC000223432420 568548923 /nfs/dbraw/zinc/54/89/23/568548923.db2.gz IMUOJAMCFIWJPB-LJQANCHMSA-N 0 0 414.571 4.196 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)ccc1C ZINC000223460981 568549557 /nfs/dbraw/zinc/54/95/57/568549557.db2.gz DPCIUVLCSOENOB-FQEVSTJZSA-N 0 0 410.558 4.188 40 0 HIABRN CCCC[C@H](CC)CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000223461014 568549586 /nfs/dbraw/zinc/54/95/86/568549586.db2.gz JMSARYGJWUDSKB-IBGZPJMESA-N 0 0 402.560 4.215 40 0 HIABRN CCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccncc1)c1ccccc1 ZINC000223478283 568549974 /nfs/dbraw/zinc/54/99/74/568549974.db2.gz NIKYEMBAYVTRPV-QHCPKHFHSA-N 0 0 405.473 4.017 40 0 HIABRN Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1C ZINC000223476674 568549991 /nfs/dbraw/zinc/54/99/91/568549991.db2.gz PMLHEQXAZKQGSL-LJQANCHMSA-N 0 0 414.571 4.028 40 0 HIABRN Cc1cc(C)c([C@H](C)NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)cc1C ZINC000223483773 568550103 /nfs/dbraw/zinc/55/01/03/568550103.db2.gz CISQKWKQMUIKJQ-FQEVSTJZSA-N 0 0 416.587 4.344 40 0 HIABRN CCCC[C@@H](CC)CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000223504420 568550571 /nfs/dbraw/zinc/55/05/71/568550571.db2.gz AHKDETRWVNBCBI-GOSISDBHSA-N 0 0 420.550 4.354 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000223513536 568550787 /nfs/dbraw/zinc/55/07/87/568550787.db2.gz PUHRSOYQWTWDTG-QGZVFWFLSA-N 0 0 416.949 4.225 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1Cc1ccncc1 ZINC000223517393 568550804 /nfs/dbraw/zinc/55/08/04/568550804.db2.gz QNYPAQXMMONHJY-PKTZIBPZSA-N 0 0 411.534 4.440 40 0 HIABRN CN(c1cccc(C(=O)NC(C)(C)Cc2ccccc2)c1)S(=O)(=O)c1ccccc1 ZINC000223521505 568550903 /nfs/dbraw/zinc/55/09/03/568550903.db2.gz MEWUNQVSKJOEJL-UHFFFAOYSA-N 0 0 422.550 4.263 40 0 HIABRN COc1ccc2cc(S(=O)(=O)NCc3ccc(OC(C)C)c(OC)c3)ccc2c1 ZINC000223520198 568550922 /nfs/dbraw/zinc/55/09/22/568550922.db2.gz GJFIHPNVVZLPIH-UHFFFAOYSA-N 0 0 415.511 4.123 40 0 HIABRN Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc4c(c3)CCCC4)n2)c1 ZINC000223528632 568551025 /nfs/dbraw/zinc/55/10/25/568551025.db2.gz NNERTNXOTKPDLW-KRWDZBQOSA-N 0 0 405.498 4.350 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2ccco2)N1Cc1ccccn1 ZINC000223530478 568551038 /nfs/dbraw/zinc/55/10/38/568551038.db2.gz NIQMCMNRWMGKTM-FGZHOGPDSA-N 0 0 415.522 4.092 40 0 HIABRN O=C(NCCCOC1CCCCC1)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000223550041 568551433 /nfs/dbraw/zinc/55/14/33/568551433.db2.gz XSSLRZZZIRTBKP-FXBPSFAMSA-N 0 0 412.555 4.375 40 0 HIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1cc(C)ccc1C ZINC000223596339 568552833 /nfs/dbraw/zinc/55/28/33/568552833.db2.gz HIQIORYPBNUWGJ-QFIPXVFZSA-N 0 0 410.558 4.406 40 0 HIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1C ZINC000223605760 568553099 /nfs/dbraw/zinc/55/30/99/568553099.db2.gz PHYFDNOXKFPLMG-QFIPXVFZSA-N 0 0 410.558 4.406 40 0 HIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1cccc(Cl)c1 ZINC000223604873 568553129 /nfs/dbraw/zinc/55/31/29/568553129.db2.gz GTNISGOTRHLUFE-OAQYLSRUSA-N 0 0 416.949 4.443 40 0 HIABRN O=S(=O)(Cc1ccc(Br)cc1)NCCOc1ccc2ccccc2c1 ZINC000223611428 568553279 /nfs/dbraw/zinc/55/32/79/568553279.db2.gz WQZOXXKQWIGJQC-UHFFFAOYSA-N 0 0 420.328 4.101 40 0 HIABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCSc2ccccc2)c1 ZINC000223635197 568554214 /nfs/dbraw/zinc/55/42/14/568554214.db2.gz CHHMZOPKRBNRQI-PGMHBOJBSA-N 0 0 406.507 4.267 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223637013 568554369 /nfs/dbraw/zinc/55/43/69/568554369.db2.gz RWWKDHOZIAGMFE-HNNXBMFYSA-N 0 0 407.341 4.398 40 0 HIABRN COc1ccc(S(=O)(=O)Nc2cccc(OCCc3ccccc3)c2)cc1OC ZINC000223645239 568554721 /nfs/dbraw/zinc/55/47/21/568554721.db2.gz DKKITYCCCCWWLC-UHFFFAOYSA-N 0 0 413.495 4.126 40 0 HIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1 ZINC000223652297 568554990 /nfs/dbraw/zinc/55/49/90/568554990.db2.gz NYVVPRSQEQSAGU-HSZRJFAPSA-N 0 0 410.558 4.406 40 0 HIABRN COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1C(C)C ZINC000223654493 568555132 /nfs/dbraw/zinc/55/51/32/568555132.db2.gz ZQFQTOVBNUGBGD-UHFFFAOYSA-N 0 0 402.516 4.055 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223681861 568555962 /nfs/dbraw/zinc/55/59/62/568555962.db2.gz KOSIRUGNDNOVIP-OAHLLOKOSA-N 0 0 407.341 4.398 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 ZINC000223728821 568557603 /nfs/dbraw/zinc/55/76/03/568557603.db2.gz FESPNIHVYASCMH-INIZCTEOSA-N 0 0 404.963 4.376 40 0 HIABRN Cc1cc(C)cc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223742302 568557847 /nfs/dbraw/zinc/55/78/47/568557847.db2.gz VCKNQBLQLFZZSB-HXUWFJFHSA-N 0 0 408.542 4.158 40 0 HIABRN 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4.183 40 0 HIABRN CNCc1nc(C)c2c(n1)N(CCc1cn(C3CCCC3)c3ccccc13)C(=O)CC2 ZINC000019703787 132468939 /nfs/dbraw/zinc/46/89/39/132468939.db2.gz OTRYMIYMAGARDD-UHFFFAOYSA-N 0 0 417.557 4.096 40 0 HIABRN CC(C)(C)NC(=S)Nc1nc(N2CCCCC2)cc(N2CCc3ccccc3C2)n1 ZINC000225894460 518753696 /nfs/dbraw/zinc/75/36/96/518753696.db2.gz KKTGQVVBORFDHO-UHFFFAOYSA-N 0 0 424.618 4.115 40 0 HIABRN CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCSCc1ccccc1 ZINC000225694867 519713804 /nfs/dbraw/zinc/71/38/04/519713804.db2.gz FDFXXEGXAGBFTI-HXUWFJFHSA-N 0 0 412.599 4.294 40 0 HIABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1Cl ZINC000225693181 519739789 /nfs/dbraw/zinc/73/97/89/519739789.db2.gz YLBXHNQKBNSVKG-INIZCTEOSA-N 0 0 404.913 4.211 40 0 HIABRN CC1=C[C@](O)(C(F)(F)F)N(C(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)N1 ZINC000032099980 520888470 /nfs/dbraw/zinc/88/84/70/520888470.db2.gz SIEFXOCLIILBCY-NRFANRHFSA-N 0 0 420.431 4.250 40 0 HIABRN CCOc1ccc(CCCNC(=O)[C@@H](C)Sc2ccc(OC)cc2)cc1OC ZINC000044883768 520946751 /nfs/dbraw/zinc/94/67/51/520946751.db2.gz WWTDLNNACIPZOG-MRXNPFEDSA-N 0 0 403.544 4.332 40 0 HIABRN CCOc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(F)cc32)c(C)c1C ZINC000041105568 521202506 /nfs/dbraw/zinc/20/25/06/521202506.db2.gz FLMKGRYDIMBWDX-UHFFFAOYSA-N 0 0 404.507 4.152 40 0 HIABRN CCOC(=O)c1ccc(NC(=O)CSc2ccc(OC)c(OC)c2)cc1Cl ZINC000044845542 521496371 /nfs/dbraw/zinc/49/63/71/521496371.db2.gz BQQUHJVJZAALAX-UHFFFAOYSA-N 0 0 409.891 4.265 40 0 HIABRN CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)C(C)(C)C)C1 ZINC000072391303 521747087 /nfs/dbraw/zinc/74/70/87/521747087.db2.gz HYRCCMVDSACGCZ-VWLOTQADSA-N 0 0 407.558 4.082 40 0 HIABRN COC(=O)c1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)c1C ZINC000225686914 522239675 /nfs/dbraw/zinc/23/96/75/522239675.db2.gz JFASXDJAXVQBHK-SFHVURJKSA-N 0 0 414.527 4.379 40 0 HIABRN COC(=O)c1cccc(NC(=S)NC2(c3ccc(OC)c(OC)c3)CCCC2)c1 ZINC000225862790 522240030 /nfs/dbraw/zinc/24/00/30/522240030.db2.gz JBSLOLHMGLMKBT-UHFFFAOYSA-N 0 0 414.527 4.246 40 0 HIABRN CN(CCNC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 ZINC000044916819 522842982 /nfs/dbraw/zinc/84/29/82/522842982.db2.gz LKEDMUVTOPFXBD-UHFFFAOYSA-N 0 0 420.384 4.458 40 0 HIABRN CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000044901449 522894371 /nfs/dbraw/zinc/89/43/71/522894371.db2.gz KACYMLGHXJSPAT-NRFANRHFSA-N 0 0 403.482 4.116 40 0 HIABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NCCOC ZINC000044849994 523045790 /nfs/dbraw/zinc/04/57/90/523045790.db2.gz QPQYJTDDVAUYIA-JOCHJYFZSA-N 0 0 406.482 4.012 40 0 HIABRN COc1ccc(C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)n4nc(C)cc4n3)C2)cc1 ZINC000072340890 523634601 /nfs/dbraw/zinc/63/46/01/523634601.db2.gz DJDFHUULTRLBCY-OAHLLOKOSA-N 0 0 418.419 4.085 40 0 HIABRN CC[C@H](C(=O)N[C@@H](CC)c1ccc(C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000044903364 523789722 /nfs/dbraw/zinc/78/97/22/523789722.db2.gz MYVDBCLLVSQZTG-FCHUYYIVSA-N 0 0 416.587 4.424 40 0 HIABRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cccc(-c2ccc(CO)o2)c1 ZINC000020258447 524194723 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CKBNKEQBNGXGGD-GOSISDBHSA-N 0 0 414.914 4.000 40 0 HIABRN NC(=O)c1ccc(-c2cccc([C@H]3CCCN(C(=O)CCc4ccccc4)C3)n2)cc1 ZINC000072349034 527035944 /nfs/dbraw/zinc/03/59/44/527035944.db2.gz QBDGOWDDHOTETH-QFIPXVFZSA-N 0 0 413.521 4.186 40 0 HIABRN O=C(Cn1c(=O)sc2c1SC[C@H]1COc3ccccc3[C@H]21)c1ccc(F)cc1 ZINC000032597580 527355981 /nfs/dbraw/zinc/35/59/81/527355981.db2.gz RXMQMIRVSGXJMS-FZKQIMNGSA-N 0 0 413.495 4.178 40 0 HIABRN Cc1cc(OCc2nnc(SCC(=O)N3[C@H](C)CCC[C@@H]3C)n2C)ccc1Cl ZINC000000916642 557117551 /nfs/dbraw/zinc/11/75/51/557117551.db2.gz PGQRQZIGEJKRRN-GASCZTMLSA-N 0 0 422.982 4.238 40 0 HIABRN COc1cccc(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)c1 ZINC000000918225 557118177 /nfs/dbraw/zinc/11/81/77/557118177.db2.gz OUFKXKLUZQVMNV-UHFFFAOYSA-N 0 0 402.332 4.269 40 0 HIABRN COc1ccc(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)cc1 ZINC000000918266 557118457 /nfs/dbraw/zinc/11/84/57/557118457.db2.gz LXVQYKWNSGLOCG-UHFFFAOYSA-N 0 0 402.332 4.269 40 0 HIABRN 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O=C([C@H]1CCCO1)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 ZINC000019373213 558880392 /nfs/dbraw/zinc/88/03/92/558880392.db2.gz NIDSDMLZYLWGPG-LEWJYISDSA-N 0 0 415.497 4.125 40 0 HIABRN O=C(NCCc1nc(-c2ccccc2)cs1)C1(c2cccc(F)c2)CCOCC1 ZINC000019374330 558881301 /nfs/dbraw/zinc/88/13/01/558881301.db2.gz DRUQEBKXLFCPSV-UHFFFAOYSA-N 0 0 410.514 4.356 40 0 HIABRN O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2F)C1)c1ccccn1 ZINC000019400716 558883418 /nfs/dbraw/zinc/88/34/18/558883418.db2.gz ABPCOEQLDUNCQV-WZONZLPQSA-N 0 0 422.479 4.138 40 0 HIABRN O=C(CCC1CCCC1)N1CCC[C@@H](c2n[nH]cc2-c2ccnc(N3CCCC3)n2)C1 ZINC000019404081 558884411 /nfs/dbraw/zinc/88/44/11/558884411.db2.gz ILTQRHHTPCVNMK-LJQANCHMSA-N 0 0 422.577 4.143 40 0 HIABRN CC(C)[C@@H](NC(=O)C1CCN(c2ncnc3ccccc32)CC1)c1ccc(F)cc1 ZINC000019445751 558886008 /nfs/dbraw/zinc/88/60/08/558886008.db2.gz AHUKGCAJNGMWJM-JOCHJYFZSA-N 0 0 406.505 4.499 40 0 HIABRN COc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCN(C(=O)CC(C)C)C3)cc2)cc1 ZINC000019446287 558886095 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Cc1cc(Br)cc(C)c1NC(=O)CSc1ncn(-c2ccccc2)n1 ZINC000409208421 560691814 /nfs/dbraw/zinc/69/18/14/560691814.db2.gz BPEVHXLRRMDFJU-UHFFFAOYSA-N 0 0 417.332 4.377 40 0 HIABRN Cc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)NCC(C)C)cc1 ZINC000409208701 560691947 /nfs/dbraw/zinc/69/19/47/560691947.db2.gz CGIDRLGRNOJCFG-UHFFFAOYSA-N 0 0 408.571 4.225 40 0 HIABRN CCCNC(=O)CSc1nnc(CCc2ccccc2)n1-c1ccc(Cl)cc1 ZINC000409200919 560692780 /nfs/dbraw/zinc/69/27/80/560692780.db2.gz KJVSQCMRWPOBDI-UHFFFAOYSA-N 0 0 414.962 4.324 40 0 HIABRN CCCOC(=O)c1cc(NC(=O)COC(=O)c2ccccc2Cl)ccc1Cl ZINC000409203649 560693824 /nfs/dbraw/zinc/69/38/24/560693824.db2.gz ZUQUTTLWRPJMEA-UHFFFAOYSA-N 0 0 410.253 4.356 40 0 HIABRN CCOc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)ccc1OC(C)=O ZINC000409213480 560696085 /nfs/dbraw/zinc/69/60/85/560696085.db2.gz VYWVNUVQOYWTFA-XSFVSMFZSA-N 0 0 411.479 4.290 40 0 HIABRN CC(C)Cn1c(CCc2ccccc2)nnc1SCC(=O)N1CCCCCC1 ZINC000409216492 560697328 /nfs/dbraw/zinc/69/73/28/560697328.db2.gz 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/nfs/dbraw/zinc/54/05/48/568540548.db2.gz NQYOWDYCTJVUTG-SFHVURJKSA-N 0 0 416.949 4.361 40 0 HIABRN C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc2c(c1)CCC2 ZINC000223191887 568540655 /nfs/dbraw/zinc/54/06/55/568540655.db2.gz IOBSCNGDSCLRAK-QGZVFWFLSA-N 0 0 420.534 4.467 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1F ZINC000223189657 568540664 /nfs/dbraw/zinc/54/06/64/568540664.db2.gz YVNFMROSLVOPPP-INIZCTEOSA-N 0 0 420.912 4.192 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1F ZINC000223192173 568540711 /nfs/dbraw/zinc/54/07/11/568540711.db2.gz WVICXBVRGNBRDZ-MRXNPFEDSA-N 0 0 404.913 4.355 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc(C)c1 ZINC000223235237 568541947 /nfs/dbraw/zinc/54/19/47/568541947.db2.gz BYXPVHOLPNSQPH-GOSISDBHSA-N 0 0 416.949 4.361 40 0 HIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(OC)cc1 ZINC000223261062 568543119 /nfs/dbraw/zinc/54/31/19/568543119.db2.gz GEYRYZBEWLGNID-QFIPXVFZSA-N 0 0 410.558 4.268 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 ZINC000223275273 568543857 /nfs/dbraw/zinc/54/38/57/568543857.db2.gz SCMPXQLFTTZPPB-LJQANCHMSA-N 0 0 407.341 4.398 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 ZINC000223283262 568544104 /nfs/dbraw/zinc/54/41/04/568544104.db2.gz CJUAXWXYZXYGNI-IBGZPJMESA-N 0 0 407.341 4.398 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Br)s2)N1C[C@@H]1CCCO1 ZINC000223294991 568544340 /nfs/dbraw/zinc/54/43/40/568544340.db2.gz BCNMCGIFLVFALV-XZJROXQQSA-N 0 0 424.389 4.057 40 0 HIABRN COC(=O)c1ccc(CS(=O)(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 ZINC000223337456 568545586 /nfs/dbraw/zinc/54/55/86/568545586.db2.gz OLMFJZSWXXZVHE-INIZCTEOSA-N 0 0 419.543 4.094 40 0 HIABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)nc1 ZINC000223334794 568545599 /nfs/dbraw/zinc/54/55/99/568545599.db2.gz FYLKZVRROFCSMA-VXKWHMMOSA-N 0 0 415.522 4.341 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2cccnc2)N1Cc1ccco1 ZINC000223338264 568545729 /nfs/dbraw/zinc/54/57/29/568545729.db2.gz MYUSCWQFYXHFNW-FGZHOGPDSA-N 0 0 415.522 4.092 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2ccco2)N1Cc1ccco1 ZINC000223339654 568545761 /nfs/dbraw/zinc/54/57/61/568545761.db2.gz OXAWPKOQXCKISW-RTWAWAEBSA-N 0 0 404.495 4.290 40 0 HIABRN CC(C)OCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(C)C ZINC000223350017 568546046 /nfs/dbraw/zinc/54/60/46/568546046.db2.gz MOXDNDJLEDLAPO-QHCPKHFHSA-N 0 0 410.558 4.344 40 0 HIABRN Oc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 ZINC000223357633 568546272 /nfs/dbraw/zinc/54/62/72/568546272.db2.gz FYGGZPQTCOXMNR-YADHBBJMSA-N 0 0 416.506 4.344 40 0 HIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccccn2)N1Cc1ccccc1 ZINC000223371045 568546730 /nfs/dbraw/zinc/54/67/30/568546730.db2.gz FSCLLYDTWOPDLO-GOTSBHOMSA-N 0 0 411.534 4.440 40 0 HIABRN COC(=O)c1ccc(C)c(S(=O)(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)c1 ZINC000223374345 568546954 /nfs/dbraw/zinc/54/69/54/568546954.db2.gz RABICOHFEDZIHC-INIZCTEOSA-N 0 0 419.543 4.262 40 0 HIABRN Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)Nc4cccc(F)c4)ccc32)cc1 ZINC000223375099 568546971 /nfs/dbraw/zinc/54/69/71/568546971.db2.gz NZXIYJWFYQEROX-UHFFFAOYSA-N 0 0 410.470 4.138 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223400553 568547516 /nfs/dbraw/zinc/54/75/16/568547516.db2.gz MLUYTDVCAGPBDL-HSZRJFAPSA-N 0 0 424.585 4.479 40 0 HIABRN Cc1cc(C)c([C@H](C)NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1C ZINC000223424599 568548669 /nfs/dbraw/zinc/54/86/69/568548669.db2.gz PUWNCKXLWQQJHK-DLBZAZTESA-N 0 0 422.978 4.297 40 0 HIABRN COc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NC(C)(C)C)cc1 ZINC000223426334 568548698 /nfs/dbraw/zinc/54/86/98/568548698.db2.gz LOYXNBOWRIMMSR-UHFFFAOYSA-N 0 0 420.531 4.272 40 0 HIABRN Cc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1C ZINC000223431683 568548754 /nfs/dbraw/zinc/54/87/54/568548754.db2.gz DAEGZVAGUFOFLN-IAGOWNOFSA-N 0 0 422.978 4.297 40 0 HIABRN Cc1cc(C)c([C@H](C)NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1C ZINC000223431735 568548758 /nfs/dbraw/zinc/54/87/58/568548758.db2.gz DAEGZVAGUFOFLN-DLBZAZTESA-N 0 0 422.978 4.297 40 0 HIABRN Cc1ccc(C)c(N([C@@H](C)C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)c1 ZINC000223434112 568548935 /nfs/dbraw/zinc/54/89/35/568548935.db2.gz LKWBIKKVDYTKJM-PMACEKPBSA-N 0 0 416.587 4.261 40 0 HIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C)cc1 ZINC000223445995 568549023 /nfs/dbraw/zinc/54/90/23/568549023.db2.gz NJLINYOTVDWUGY-NRFANRHFSA-N 0 0 414.521 4.235 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223458809 568549556 /nfs/dbraw/zinc/54/95/56/568549556.db2.gz KCNXUKQDBZAPDU-LJQANCHMSA-N 0 0 423.340 4.098 40 0 HIABRN Cc1ccc(N(CC(=O)NCC2=CCCCC2)S(=O)(=O)c2ccccc2)cc1C ZINC000223471117 568549844 /nfs/dbraw/zinc/54/98/44/568549844.db2.gz MGEGVKATKHUOSM-UHFFFAOYSA-N 0 0 412.555 4.115 40 0 HIABRN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)NCC1=CCCCC1 ZINC000223480090 568550127 /nfs/dbraw/zinc/55/01/27/568550127.db2.gz UEGDBUBLHZJDBJ-UHFFFAOYSA-N 0 0 418.946 4.152 40 0 HIABRN CC(C)C(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccccn1)c1ccccc1 ZINC000223487016 568550221 /nfs/dbraw/zinc/55/02/21/568550221.db2.gz PQMJWCCLBSNPRJ-HSZRJFAPSA-N 0 0 419.500 4.263 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223505424 568550613 /nfs/dbraw/zinc/55/06/13/568550613.db2.gz DAGIEEBGENHOQN-INIZCTEOSA-N 0 0 404.963 4.127 40 0 HIABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1cccc(Cl)c1 ZINC000223558492 568551704 /nfs/dbraw/zinc/55/17/04/568551704.db2.gz RQVODBVBFYVIML-SFHVURJKSA-N 0 0 416.949 4.095 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C)cc1C ZINC000223559314 568551776 /nfs/dbraw/zinc/55/17/76/568551776.db2.gz PRTVDAVMJUYJQP-OAQYLSRUSA-N 0 0 410.558 4.058 40 0 HIABRN COc1cc2c(cc1S(=O)(=O)NCCOc1cccc3ccccc31)CCCC2 ZINC000223576059 568552041 /nfs/dbraw/zinc/55/20/41/568552041.db2.gz QVHHJFUWMORFJC-UHFFFAOYSA-N 0 0 411.523 4.085 40 0 HIABRN COc1ccc2cc(S(=O)(=O)NCCOc3cccc4ccccc43)ccc2c1 ZINC000223575890 568552083 /nfs/dbraw/zinc/55/20/83/568552083.db2.gz WXOBDKKUALDTOM-UHFFFAOYSA-N 0 0 407.491 4.359 40 0 HIABRN Cc1cc(C)c(S(=O)(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)c(C)c1 ZINC000223578402 568552179 /nfs/dbraw/zinc/55/21/79/568552179.db2.gz OMZYDCRBBPOZSG-UHFFFAOYSA-N 0 0 405.907 4.136 40 0 HIABRN CCCC[C@@H](CC)CNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000223663849 568555390 /nfs/dbraw/zinc/55/53/90/568555390.db2.gz FOWIXQYKSMPXIZ-CYBMUJFWSA-N 0 0 409.379 4.092 40 0 HIABRN COc1ccc(/C=C/C(=O)NCCOc2ccccc2C(C)(C)C)c(OC)c1OC ZINC000223670407 568555665 /nfs/dbraw/zinc/55/56/65/568555665.db2.gz GFMSFJRCUODTOD-WYMLVPIESA-N 0 0 413.514 4.218 40 0 HIABRN CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1ccccc1C ZINC000223674630 568555862 /nfs/dbraw/zinc/55/58/62/568555862.db2.gz JPPQYPWYUXEPMN-NRFANRHFSA-N 0 0 410.558 4.138 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(C)cc1 ZINC000223684522 568556241 /nfs/dbraw/zinc/55/62/41/568556241.db2.gz GAIXWAOVKXWKSB-KRWDZBQOSA-N 0 0 418.990 4.435 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccccc1 ZINC000223712085 568557046 /nfs/dbraw/zinc/55/70/46/568557046.db2.gz BIRGJFAPVLDYJI-QGZVFWFLSA-N 0 0 402.922 4.052 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccc(C)cc1 ZINC000223712211 568557065 /nfs/dbraw/zinc/55/70/65/568557065.db2.gz WTXUSTCOZUIUGH-GOSISDBHSA-N 0 0 416.949 4.361 40 0 HIABRN CCCC[C@@H](CC)CNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O ZINC000223714439 568557094 /nfs/dbraw/zinc/55/70/94/568557094.db2.gz JNAZYNRVJBVDAN-CYBMUJFWSA-N 0 0 409.379 4.092 40 0 HIABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1cccc(C)c1 ZINC000223716235 568557201 /nfs/dbraw/zinc/55/72/01/568557201.db2.gz FRSIVVCQLPFNKM-JOCHJYFZSA-N 0 0 410.558 4.138 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl ZINC000223720411 568557392 /nfs/dbraw/zinc/55/73/92/568557392.db2.gz GBOCTECEJSUMPG-HNNXBMFYSA-N 0 0 407.341 4.479 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1C ZINC000223727851 568557594 /nfs/dbraw/zinc/55/75/94/568557594.db2.gz QTFMSBPOZPODKE-QGZVFWFLSA-N 0 0 418.990 4.435 40 0 HIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1F ZINC000223744621 568557909 /nfs/dbraw/zinc/55/79/09/568557909.db2.gz SSBQONWIWGXJTG-NRFANRHFSA-N 0 0 414.521 4.237 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1cccc(C)c1 ZINC000223767735 568558570 /nfs/dbraw/zinc/55/85/70/568558570.db2.gz AAEFZWBKNKSAAC-QGZVFWFLSA-N 0 0 418.990 4.435 40 0 HIABRN Cc1cc(C)cc(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223778442 568558782 /nfs/dbraw/zinc/55/87/82/568558782.db2.gz NUBAUBMLKUZLCW-OAQYLSRUSA-N 0 0 422.569 4.467 40 0 HIABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCC1=CCCCC1 ZINC000223782894 568558972 /nfs/dbraw/zinc/55/89/72/568558972.db2.gz JDJWYHMLBOHLEG-UHFFFAOYSA-N 0 0 418.946 4.152 40 0 HIABRN Cc1cccc(CN(C(=O)COc2cc(C)cc(C)c2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223805086 568559516 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/nfs/dbraw/zinc/33/56/49/558335649.db2.gz CCKCGSIIALXXBE-SFTDATJTSA-N 0 0 402.560 4.135 40 0 HIABRN COc1ccc(NC(=O)c2ccccc2Br)cc1-c1ccc(CO)o1 ZINC000020137837 558337974 /nfs/dbraw/zinc/33/79/74/558337974.db2.gz QXISDNVFPNAUEA-UHFFFAOYSA-N 0 0 402.244 4.462 40 0 HIABRN CCc1c(C)noc1-c1cnc(NCCc2c(C)noc2C)nc1-c1cnc(C)cn1 ZINC000012156375 558340517 /nfs/dbraw/zinc/34/05/17/558340517.db2.gz DCKZDZDALBIGNG-UHFFFAOYSA-N 0 0 419.489 4.027 40 0 HIABRN COc1ccc(CN(Cc2cnn(-c3ccccc3)c2)C[C@@H]2CCCO2)cc1OC ZINC000012187358 558346264 /nfs/dbraw/zinc/34/62/64/558346264.db2.gz MYYQVVQDUQPAPC-QFIPXVFZSA-N 0 0 407.514 4.071 40 0 HIABRN CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3cccnc3)cc2n1 ZINC000012220399 558355501 /nfs/dbraw/zinc/35/55/01/558355501.db2.gz WDOHUQRLEXLHIR-MRXNPFEDSA-N 0 0 403.408 4.244 40 0 HIABRN O=C(N1CCOCC1)C1(Cc2ccccc2-c2coc3ccccc32)CCOCC1 ZINC000012234927 558358578 /nfs/dbraw/zinc/35/85/78/558358578.db2.gz ONAFRLUBWVRHFO-UHFFFAOYSA-N 0 0 405.494 4.298 40 0 HIABRN CC(C)CCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448745 558364042 /nfs/dbraw/zinc/36/40/42/558364042.db2.gz ZVSULXDCSOZZHW-OAHLLOKOSA-N 0 0 420.962 4.256 40 0 HIABRN C[C@@H]1Cc2cc(C(=O)NC(C)(C)C)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448393 558364185 /nfs/dbraw/zinc/36/41/85/558364185.db2.gz CRNGNPBJURYHAV-CYBMUJFWSA-N 0 0 406.935 4.008 40 0 HIABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000020454412 558368382 /nfs/dbraw/zinc/36/83/82/558368382.db2.gz DDYHHEAVHGXGOR-GHTZIAJQSA-N 0 0 410.514 4.008 40 0 HIABRN CCN(CC)C(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@@H](C)[C@@H]2[C@H]1O ZINC000020466365 558373851 /nfs/dbraw/zinc/37/38/51/558373851.db2.gz JIMBNUYQTGVXSH-OAVMLCATSA-N 0 0 422.654 4.235 40 0 biogenic,in-vitro HIABRN COc1cccc(O[C@H](C)C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 ZINC000020484299 558376040 /nfs/dbraw/zinc/37/60/40/558376040.db2.gz MIKAIMGOHLLGOH-QGZVFWFLSA-N 0 0 409.457 4.497 40 0 HIABRN CCCCCN1c2nc3ccccc3n2[C@H](c2ccc(F)cc2)[C@H](C(=O)OCC)C1=O ZINC000020675555 558399723 /nfs/dbraw/zinc/39/97/23/558399723.db2.gz JWAVNWKIINCWLB-LEWJYISDSA-N 0 0 423.488 4.481 40 0 HIABRN CCCCCN1c2nc3ccccc3n2[C@H](c2cccc(O)c2)[C@@H](C(=O)OCC)C1=O ZINC000020675789 558399962 /nfs/dbraw/zinc/39/99/62/558399962.db2.gz FFFIOXMXEHZEIJ-NHCUHLMSSA-N 0 0 421.497 4.047 40 0 HIABRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1ccc(C)c(C)c1 ZINC000020798577 558415140 /nfs/dbraw/zinc/41/51/40/558415140.db2.gz AWGJDNQNTQTVCR-FQEVSTJZSA-N 0 0 406.482 4.132 40 0 HIABRN COCc1nn2c(nnc(C(=O)Nc3ccc(C)cc3)c2C)c1-c1ccc(Cl)cc1 ZINC000021006164 558428924 /nfs/dbraw/zinc/42/89/24/558428924.db2.gz JXFQESBLPLLOTK-UHFFFAOYSA-N 0 0 421.888 4.460 40 0 HIABRN CC(C)(C)c1ccc(OCCNC(=O)c2ccccc2I)cc1 ZINC000021904319 558455031 /nfs/dbraw/zinc/45/50/31/558455031.db2.gz DHGGRENBNDKGER-UHFFFAOYSA-N 0 0 423.294 4.398 40 0 HIABRN Cc1nn(-c2ccccc2)c2nc3c(cc12)CN(CCOc1ccccc1)C(=O)O3 ZINC000012755242 558459878 /nfs/dbraw/zinc/45/98/78/558459878.db2.gz VWYSKUAVKJLQJF-UHFFFAOYSA-N 0 0 400.438 4.122 40 0 HIABRN Cc1ccc(C)c([C@@H](C)NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 ZINC000022374088 558484278 /nfs/dbraw/zinc/48/42/78/558484278.db2.gz DOYYQMFQZFAHNM-GOSISDBHSA-N 0 0 416.587 4.244 40 0 HIABRN Cc1cccc(C)c1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1cccs1 ZINC000022379387 558484529 /nfs/dbraw/zinc/48/45/29/558484529.db2.gz WEAOPWSUAISPIZ-UHFFFAOYSA-N 0 0 418.515 4.338 40 0 HIABRN CC[C@@H](NC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O)c1ccc(C)cc1C ZINC000022427535 558488967 /nfs/dbraw/zinc/48/89/67/558488967.db2.gz VHBDOQPCBRDVMS-OAQYLSRUSA-N 0 0 416.587 4.262 40 0 HIABRN CC[C@@H](NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000022427403 558489034 /nfs/dbraw/zinc/48/90/34/558489034.db2.gz FQIGJOGWPXHKCM-OAQYLSRUSA-N 0 0 416.587 4.460 40 0 HIABRN COc1ccc([C@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000022513251 558493343 /nfs/dbraw/zinc/49/33/43/558493343.db2.gz JDBUPQCUXZQQKS-KRWDZBQOSA-N 0 0 424.522 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OAYJRTGLOHGAKV-UHFFFAOYSA-N 0 0 423.294 4.441 40 0 HIABRN Cc1cccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2ccccc2)c1C ZINC000013668269 558560105 /nfs/dbraw/zinc/56/01/05/558560105.db2.gz CMNMQMDTYUAZIP-UHFFFAOYSA-N 0 0 420.534 4.088 40 0 HIABRN C[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 ZINC000013670877 558562119 /nfs/dbraw/zinc/56/21/19/558562119.db2.gz XAEBSXMBNLCXLX-QGZVFWFLSA-N 0 0 406.507 4.103 40 0 HIABRN Cc1cc(Cl)ccc1N(CC(=O)N1CCC[C@@H](C)C1)S(=O)(=O)c1ccccc1 ZINC000013670767 558562168 /nfs/dbraw/zinc/56/21/68/558562168.db2.gz BEJWMLBQFGRXIG-MRXNPFEDSA-N 0 0 420.962 4.102 40 0 HIABRN CCc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)S(C)(=O)=O ZINC000013671863 558562753 /nfs/dbraw/zinc/56/27/53/558562753.db2.gz KNHBQKGOJQQQHB-KRWDZBQOSA-N 0 0 416.587 4.190 40 0 HIABRN Cc1ccc(C)c(N(CC(=O)N(C)c2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000013673318 558563404 /nfs/dbraw/zinc/56/34/04/558563404.db2.gz PAEREWWAOXQWIC-UHFFFAOYSA-N 0 0 408.523 4.162 40 0 HIABRN Cc1cccc(N(CC(=O)N(C)c2ccccc2)S(=O)(=O)c2ccccc2)c1C ZINC000013673877 558563647 /nfs/dbraw/zinc/56/36/47/558563647.db2.gz CGOOFARBTMQPOA-UHFFFAOYSA-N 0 0 408.523 4.162 40 0 HIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2C)cc1 ZINC000013676815 558564638 /nfs/dbraw/zinc/56/46/38/558564638.db2.gz CKMAZQDXKYSRAJ-UHFFFAOYSA-N 0 0 424.478 4.085 40 0 HIABRN COC(=O)c1ccc(Cl)c(NS(=O)(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000013678119 558565138 /nfs/dbraw/zinc/56/51/38/558565138.db2.gz WIPUZGDYVKZCFI-UHFFFAOYSA-N 0 0 408.690 4.375 40 0 HIABRN CN(c1ccc(C(=O)Nc2c(F)cccc2F)cc1)S(=O)(=O)c1cccs1 ZINC000013679193 558565737 /nfs/dbraw/zinc/56/57/37/558565737.db2.gz HEWYAGWWTRQHBN-UHFFFAOYSA-N 0 0 408.451 4.104 40 0 HIABRN CCOc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1 ZINC000013680564 558566327 /nfs/dbraw/zinc/56/63/27/558566327.db2.gz RCMOLROHWSHHFE-UHFFFAOYSA-N 0 0 416.524 4.224 40 0 HIABRN Cc1cc(OCC(=O)Nc2ccccc2C(=O)NCC(C)C)ccc1Br ZINC000013683635 558568116 /nfs/dbraw/zinc/56/81/16/558568116.db2.gz 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ZINC000223079663 568536699 /nfs/dbraw/zinc/53/66/99/568536699.db2.gz RCTYZABFDUJCAS-HZPDHXFCSA-N 0 0 420.912 4.190 40 0 HIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(F)cc1 ZINC000223080057 568536756 /nfs/dbraw/zinc/53/67/56/568536756.db2.gz DUIPKPCBAIQBQK-CVEARBPZSA-N 0 0 420.912 4.190 40 0 HIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSc1ccccc1 ZINC000223086299 568537027 /nfs/dbraw/zinc/53/70/27/568537027.db2.gz XAZGACNWAVSBGC-IAGOWNOFSA-N 0 0 402.535 4.250 40 0 HIABRN COCCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C ZINC000223093805 568537323 /nfs/dbraw/zinc/53/73/23/568537323.db2.gz QCEVUQNWKATHFG-YADHBBJMSA-N 0 0 412.603 4.452 40 0 HIABRN O=C(Nc1cccc(Cl)c1)c1cn2c3c(cc(Br)cc3c1=O)CC2 ZINC000223099303 568537535 /nfs/dbraw/zinc/53/75/35/568537535.db2.gz AYGFYMJJPCJBBM-UHFFFAOYSA-N 0 0 403.663 4.226 40 0 HIABRN COc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@@H]3C)cc1 ZINC000223105438 568537672 /nfs/dbraw/zinc/53/76/72/568537672.db2.gz HQBBZTXHAAKIQI-NSHDSACASA-N 0 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568540348 /nfs/dbraw/zinc/54/03/48/568540348.db2.gz DXEDUTIACPGDEN-HXUWFJFHSA-N 0 0 402.922 4.052 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc2ccccc21 ZINC000223183160 568540356 /nfs/dbraw/zinc/54/03/56/568540356.db2.gz XYYYWEFHVXWKKN-OAQYLSRUSA-N 0 0 424.928 4.425 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 ZINC000223192323 568540735 /nfs/dbraw/zinc/54/07/35/568540735.db2.gz NPGNUOCMSAYYGO-QGZVFWFLSA-N 0 0 402.922 4.052 40 0 HIABRN Cc1ccc(OC[C@@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2cccc(C)c2)cc1 ZINC000223202238 568541006 /nfs/dbraw/zinc/54/10/06/568541006.db2.gz HCTHQTJOULSYMO-IQJJTXKVSA-N 0 0 418.493 4.251 40 0 HIABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(C)cc2C)cc1OC ZINC000223218356 568541393 /nfs/dbraw/zinc/54/13/93/568541393.db2.gz IKMFDIWWANSREQ-ZHZULCJRSA-N 0 0 420.465 4.323 40 0 HIABRN COc1ccc(OC)c([C@@H](C)NC(=O)COc2ccc(Br)c(C)c2)c1 ZINC000223221829 568541529 /nfs/dbraw/zinc/54/15/29/568541529.db2.gz MAHNIIKVAZOZTB-CYBMUJFWSA-N 0 0 408.292 4.031 40 0 HIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C ZINC000223224284 568541555 /nfs/dbraw/zinc/54/15/55/568541555.db2.gz DYBMERQOFGXTAJ-OAQYLSRUSA-N 0 0 410.558 4.404 40 0 HIABRN CSc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000026118578 568542004 /nfs/dbraw/zinc/54/20/04/568542004.db2.gz KDTXJTHLLVKZGH-UHFFFAOYSA-N 0 0 422.547 4.221 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223239284 568542221 /nfs/dbraw/zinc/54/22/21/568542221.db2.gz NPYTWUYULUVNTA-SFHVURJKSA-N 0 0 411.304 4.228 40 0 HIABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 ZINC000223240024 568542289 /nfs/dbraw/zinc/54/22/89/568542289.db2.gz KNUROHPRCGVOEY-OAHLLOKOSA-N 0 0 411.527 4.493 40 0 HIABRN CC(C)Oc1cccc(CNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c1 ZINC000223246888 568542373 /nfs/dbraw/zinc/54/23/73/568542373.db2.gz IPQUFOBPNBPBGT-JCMHNJIXSA-N 0 0 404.466 4.154 40 0 HIABRN Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)cc1 ZINC000223266509 568543348 /nfs/dbraw/zinc/54/33/48/568543348.db2.gz RVVSXDBJWIISCG-SFHVURJKSA-N 0 0 420.534 4.065 40 0 HIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1 ZINC000223266762 568543384 /nfs/dbraw/zinc/54/33/84/568543384.db2.gz YDZBHEPNHGNMSA-JOCHJYFZSA-N 0 0 410.558 4.404 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1F ZINC000223283593 568544092 /nfs/dbraw/zinc/54/40/92/568544092.db2.gz UGIGDWDKBASBEZ-GOSISDBHSA-N 0 0 411.304 4.228 40 0 HIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Br)s2)N1C[C@@H]1CCCO1 ZINC000223294825 568544374 /nfs/dbraw/zinc/54/43/74/568544374.db2.gz BCNMCGIFLVFALV-KNXALSJPSA-N 0 0 424.389 4.057 40 0 HIABRN Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1 ZINC000223302031 568544645 /nfs/dbraw/zinc/54/46/45/568544645.db2.gz UJHMUWDBAHWATH-AJSBUHFISA-N 0 0 418.566 4.332 40 0 HIABRN Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1 ZINC000223317232 568544945 /nfs/dbraw/zinc/54/49/45/568544945.db2.gz BETNCVRZNSGDMG-PMOQBDJRSA-N 0 0 418.566 4.332 40 0 HIABRN CNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1Cl ZINC000223315124 568544977 /nfs/dbraw/zinc/54/49/77/568544977.db2.gz TYSVNQZMRRJVEA-QHCPKHFHSA-N 0 0 422.912 4.235 40 0 HIABRN Fc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1 ZINC000223318024 568545103 /nfs/dbraw/zinc/54/51/03/568545103.db2.gz IYNYJOUWPCTIKW-BWAGFHJFSA-N 0 0 422.529 4.163 40 0 HIABRN Fc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1 ZINC000223318172 568545138 /nfs/dbraw/zinc/54/51/38/568545138.db2.gz KWJYCKMNRXCTCY-VLCRHTCISA-N 0 0 422.529 4.163 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1C[C@@H]1CCCO1 ZINC000223327177 568545366 /nfs/dbraw/zinc/54/53/66/568545366.db2.gz PAVFAAPFYNZABX-NNWRFLSQSA-N 0 0 404.539 4.024 40 0 HIABRN CCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccc(OC)cc1)c1ccccc1 ZINC000223339266 568545755 /nfs/dbraw/zinc/54/57/55/568545755.db2.gz HSUHGLMPIJIGKG-RUZDIDTESA-N 0 0 416.521 4.492 40 0 HIABRN CCCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCCCOC(C)C)c1ccccc1 ZINC000223345473 568545950 /nfs/dbraw/zinc/54/59/50/568545950.db2.gz WWCXCINRSMCWNX-DEOSSOPVSA-N 0 0 410.558 4.488 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2ccccn2)N1Cc1ccco1 ZINC000223360174 568546395 /nfs/dbraw/zinc/54/63/95/568546395.db2.gz JGXHMGAVQJLDBO-FGZHOGPDSA-N 0 0 415.522 4.092 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C ZINC000223371245 568546719 /nfs/dbraw/zinc/54/67/19/568546719.db2.gz JBGHNQMNKIVZPH-IBGZPJMESA-N 0 0 407.341 4.398 40 0 HIABRN CS(=O)(=O)N(CCCC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1F ZINC000223378042 568547037 /nfs/dbraw/zinc/54/70/37/568547037.db2.gz NENCJDXKOVJCNS-UHFFFAOYSA-N 0 0 419.305 4.317 40 0 HIABRN CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCCCOC(C)C)c1ccccc1 ZINC000223406710 568547739 /nfs/dbraw/zinc/54/77/39/568547739.db2.gz QZXXTUQDFXVVAU-JOCHJYFZSA-N 0 0 416.949 4.361 40 0 HIABRN CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCc1cccnc1)c1ccccc1 ZINC000223406154 568547802 /nfs/dbraw/zinc/54/78/02/568547802.db2.gz CWEFNNSJOWTXNT-JOCHJYFZSA-N 0 0 407.901 4.141 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCc1cccc2ccccc21 ZINC000223413120 568548039 /nfs/dbraw/zinc/54/80/39/568548039.db2.gz JWEGYCZEUYVKGE-XMMPIXPASA-N 0 0 418.537 4.334 40 0 HIABRN Cc1cc(C)c([C@H](C)NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1C ZINC000223414744 568548101 /nfs/dbraw/zinc/54/81/01/568548101.db2.gz ZHBVNRHXAJWSRC-KRWDZBQOSA-N 0 0 422.978 4.217 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223415764 568548102 /nfs/dbraw/zinc/54/81/02/568548102.db2.gz BPQFVIGEKLVUSL-IBGZPJMESA-N 0 0 423.340 4.098 40 0 HIABRN COC(=O)c1ccc(NCc2ccco2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000223415313 568548147 /nfs/dbraw/zinc/54/81/47/568548147.db2.gz MYURZHRXNYURBT-UHFFFAOYSA-N 0 0 420.874 4.133 40 0 HIABRN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000223429176 568548759 /nfs/dbraw/zinc/54/87/59/568548759.db2.gz PIDGBFNMQPREOZ-UHFFFAOYSA-N 0 0 411.760 4.085 40 0 HIABRN CC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCCc1ccccc1)c1ccccc1 ZINC000223472748 568549873 /nfs/dbraw/zinc/54/98/73/568549873.db2.gz WGJVIXRKWWADQR-DEOSSOPVSA-N 0 0 404.485 4.274 40 0 HIABRN CCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1cccnc1)c1ccccc1 ZINC000223478135 568550024 /nfs/dbraw/zinc/55/00/24/568550024.db2.gz WLQNCBIMSXOGTL-QHCPKHFHSA-N 0 0 405.473 4.017 40 0 HIABRN CCOCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C ZINC000223487607 568550237 /nfs/dbraw/zinc/55/02/37/568550237.db2.gz NTIHIBIIHAIYEO-JOCHJYFZSA-N 0 0 414.521 4.094 40 0 HIABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223488578 568550242 /nfs/dbraw/zinc/55/02/42/568550242.db2.gz TXTDFEDLTQQLBJ-OAQYLSRUSA-N 0 0 416.949 4.095 40 0 HIABRN CC(C)C(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccccn1)c1ccccc1 ZINC000223487080 568550249 /nfs/dbraw/zinc/55/02/49/568550249.db2.gz PQMJWCCLBSNPRJ-QHCPKHFHSA-N 0 0 419.500 4.263 40 0 HIABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223502487 568550539 /nfs/dbraw/zinc/55/05/39/568550539.db2.gz XTFPDKSWMCZEBJ-LJQANCHMSA-N 0 0 407.341 4.132 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1cccc(Cl)c1 ZINC000223505304 568550583 /nfs/dbraw/zinc/55/05/83/568550583.db2.gz HOHJPHHYBXXWTR-MRXNPFEDSA-N 0 0 404.963 4.127 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223501743 568550588 /nfs/dbraw/zinc/55/05/88/568550588.db2.gz VYTIFZGOHDCQNV-FQEVSTJZSA-N 0 0 410.558 4.188 40 0 HIABRN COc1ccc(/C=C/C(=O)NCCOc2cccc3ccccc32)c(OC)c1OC ZINC000223510826 568550656 /nfs/dbraw/zinc/55/06/56/568550656.db2.gz LQAWOLMHSZPRDK-WYMLVPIESA-N 0 0 407.466 4.074 40 0 HIABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1cccc(Cl)c1 ZINC000223560102 568551825 /nfs/dbraw/zinc/55/18/25/568551825.db2.gz QDMIXGORJSSRHF-SFHVURJKSA-N 0 0 400.950 4.259 40 0 HIABRN CNC(=O)[C@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 ZINC000223561940 568551874 /nfs/dbraw/zinc/55/18/74/568551874.db2.gz MCXGAGFPJIDEMF-VWLOTQADSA-N 0 0 416.521 4.144 40 0 HIABRN Cc1ccc(Sc2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCO)o2)cc1 ZINC000223572826 568552047 /nfs/dbraw/zinc/55/20/47/568552047.db2.gz QTCGSHDHFATUII-VQTJNVASSA-N 0 0 411.552 4.099 40 0 HIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1 ZINC000223588904 568552543 /nfs/dbraw/zinc/55/25/43/568552543.db2.gz UCPJFRUJKCYSIZ-JOCHJYFZSA-N 0 0 410.558 4.350 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1cc(C)cc(C)c1 ZINC000223594779 568552738 /nfs/dbraw/zinc/55/27/38/568552738.db2.gz FYNUIEKMEDOZEE-HXUWFJFHSA-N 0 0 412.599 4.398 40 0 HIABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1C1CCCCC1 ZINC000223613779 568553411 /nfs/dbraw/zinc/55/34/11/568553411.db2.gz HIFMLUMKTLYATN-YADHBBJMSA-N 0 0 412.603 4.360 40 0 HIABRN OCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1 ZINC000223629666 568553975 /nfs/dbraw/zinc/55/39/75/568553975.db2.gz NOUDEMBOCDBLGE-UXHICEINSA-N 0 0 411.552 4.181 40 0 HIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(F)cc1 ZINC000223628449 568554024 /nfs/dbraw/zinc/55/40/24/568554024.db2.gz ILYIZAXYONZTII-NRFANRHFSA-N 0 0 414.521 4.099 40 0 HIABRN CN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)Cc1ccccc1Cl ZINC000223642575 568554598 /nfs/dbraw/zinc/55/45/98/568554598.db2.gz GETZPOWQKBJWJD-UHFFFAOYSA-N 0 0 412.298 4.005 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223681920 568556118 /nfs/dbraw/zinc/55/61/18/568556118.db2.gz KOSIRUGNDNOVIP-HNNXBMFYSA-N 0 0 407.341 4.398 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 ZINC000223683979 568556136 /nfs/dbraw/zinc/55/61/36/568556136.db2.gz VTLAWFLVZZTSCN-INIZCTEOSA-N 0 0 404.963 4.294 40 0 HIABRN C[C@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)N(c1ccccc1)S(C)(=O)=O ZINC000223704953 568556828 /nfs/dbraw/zinc/55/68/28/568556828.db2.gz YCBVVZFIIHQJDR-OAHLLOKOSA-N 0 0 408.479 4.379 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1cccc(C)c1 ZINC000223723424 568557486 /nfs/dbraw/zinc/55/74/86/568557486.db2.gz ABIPKPRIQKADME-KRWDZBQOSA-N 0 0 418.990 4.435 40 0 HIABRN CCCC[C@H](CC)CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000223745169 568557915 /nfs/dbraw/zinc/55/79/15/568557915.db2.gz RBSPYQRQMZYIQL-SFHVURJKSA-N 0 0 402.560 4.458 40 0 HIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(F)cc1 ZINC000223744699 568557924 /nfs/dbraw/zinc/55/79/24/568557924.db2.gz BTTFXOYFVZEFBY-JOCHJYFZSA-N 0 0 414.521 4.237 40 0 HIABRN Cc1cc(C)c(C)c(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223746520 568558037 /nfs/dbraw/zinc/55/80/37/568558037.db2.gz WWPKILYLWWEIST-OAQYLSRUSA-N 0 0 422.569 4.467 40 0 HIABRN Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c(C)c1 ZINC000223754763 568558143 /nfs/dbraw/zinc/55/81/43/568558143.db2.gz DIXFYDGMKJSARX-HXUWFJFHSA-N 0 0 408.542 4.158 40 0 HIABRN Cc1ccc(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223788847 568559122 /nfs/dbraw/zinc/55/91/22/568559122.db2.gz CIMJDMSGGGXMPU-HXUWFJFHSA-N 0 0 408.542 4.158 40 0 HIABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 ZINC000223786867 568559151 /nfs/dbraw/zinc/55/91/51/568559151.db2.gz VINAEPZMTZTJLE-OAHLLOKOSA-N 0 0 413.470 4.098 40 0 HIABRN Cc1ccc(CN(CC(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)cc1 ZINC000223842120 568560557 /nfs/dbraw/zinc/56/05/57/568560557.db2.gz GHGGRLNFTPAWBP-UHFFFAOYSA-N 0 0 408.523 4.062 40 0 HIABRN Cc1ccccc1CN(c1ccc(C(=O)NCC2=CCCCC2)cc1)S(C)(=O)=O ZINC000223842196 568560558 /nfs/dbraw/zinc/56/05/58/568560558.db2.gz OHMLOZAYLMCZFG-UHFFFAOYSA-N 0 0 412.555 4.191 40 0 HIABRN CCCC[C@@H](CC)CNC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 ZINC000223863774 568561164 /nfs/dbraw/zinc/56/11/64/568561164.db2.gz BLEHOBGTAZINEE-GOSISDBHSA-N 0 0 402.560 4.458 40 0 HIABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F ZINC000223866331 568561275 /nfs/dbraw/zinc/56/12/75/568561275.db2.gz MHEFJBXJEYDDIP-INIZCTEOSA-N 0 0 416.924 4.498 40 0 HIABRN CCCC[C@@H](CC)CNC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000223874963 568561506 /nfs/dbraw/zinc/56/15/06/568561506.db2.gz FHWVWZPEMKQASJ-CYBMUJFWSA-N 0 0 409.379 4.092 40 0 HIABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000223871399 568561552 /nfs/dbraw/zinc/56/15/52/568561552.db2.gz HCAKKPOAHOORND-ACJLOTCBSA-N 0 0 411.976 4.492 40 0 HIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(C(C)C)cc1 ZINC000223876714 568561654 /nfs/dbraw/zinc/56/16/54/568561654.db2.gz GAPTXJOTBTUAAE-GOSISDBHSA-N 0 0 414.521 4.271 40 0 HIABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223887400 568561898 /nfs/dbraw/zinc/56/18/98/568561898.db2.gz CNSCXOPXQQGTAZ-MRXNPFEDSA-N 0 0 416.924 4.498 40 0 HIABRN Cc1ccc(CNC(=S)Nc2ncc(Br)c(C)c2Br)o1 ZINC000223905251 568562571 /nfs/dbraw/zinc/56/25/71/568562571.db2.gz FBHGHDIFYNYGOW-UHFFFAOYSA-N 0 0 419.142 4.303 40 0 HIABRN CC(C)(C)c1ccc(-c2noc(CNC(=O)C3(c4ccccc4)CCOCC3)n2)cc1 ZINC000223958563 568564554 /nfs/dbraw/zinc/56/45/54/568564554.db2.gz SXNGPLXUZSPYQS-UHFFFAOYSA-N 0 0 419.525 4.399 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(F)cc1 ZINC000223963762 568564659 /nfs/dbraw/zinc/56/46/59/568564659.db2.gz AYUHPJXCBJNAQC-CYBMUJFWSA-N 0 0 411.304 4.228 40 0 HIABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000223977967 568565199 /nfs/dbraw/zinc/56/51/99/568565199.db2.gz SGLBNSZOMZSYFU-RUZDIDTESA-N 0 0 414.549 4.395 40 0 HIABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1cccc(C)c1 ZINC000223988794 568565468 /nfs/dbraw/zinc/56/54/68/568565468.db2.gz IFQRAVPJLVTEDP-HSZRJFAPSA-N 0 0 410.558 4.270 40 0 HIABRN Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000224004771 568565948 /nfs/dbraw/zinc/56/59/48/568565948.db2.gz ZFFWFEUEBMDXNE-MDOVXXIYSA-N 0 0 418.946 4.368 40 0 HIABRN CC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)c1ccc(C)c(C)c1 ZINC000224008945 568566071 /nfs/dbraw/zinc/56/60/71/568566071.db2.gz JOWMVPWTQILOKE-OAQYLSRUSA-N 0 0 412.555 4.032 40 0 HIABRN CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C ZINC000224009726 568566307 /nfs/dbraw/zinc/56/63/07/568566307.db2.gz ULFNEYXZIVZQPK-YADHBBJMSA-N 0 0 420.538 4.426 40 0 HIABRN COc1cccc(CN(C(=O)Cc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000224038563 568567273 /nfs/dbraw/zinc/56/72/73/568567273.db2.gz RLYTXGINCDFOTF-IBGZPJMESA-N 0 0 408.542 4.022 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000224049040 568567706 /nfs/dbraw/zinc/56/77/06/568567706.db2.gz XXMDPINOTKDJKQ-AWEZNQCLSA-N 0 0 423.340 4.098 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000224048917 568567767 /nfs/dbraw/zinc/56/77/67/568567767.db2.gz PFYYGIMVRQAZBW-AWEZNQCLSA-N 0 0 423.340 4.098 40 0 HIABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(F)cc1 ZINC000224051018 568567835 /nfs/dbraw/zinc/56/78/35/568567835.db2.gz PNYYLHSBOXWNGF-HNNXBMFYSA-N 0 0 404.913 4.354 40 0 HIABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCC3CCCCC3)ccc2C)cc1 ZINC000224086171 568569195 /nfs/dbraw/zinc/56/91/95/568569195.db2.gz HHCIQYZJXVGMDQ-UHFFFAOYSA-N 0 0 400.544 4.414 40 0 HIABRN Cc1cccc(OCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)c1C ZINC000224085640 568569250 /nfs/dbraw/zinc/56/92/50/568569250.db2.gz BWXUJUIUZFWAAN-GOSISDBHSA-N 0 0 414.521 4.153 40 0 HIABRN Cc1cccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)c1 ZINC000224088413 568569314 /nfs/dbraw/zinc/56/93/14/568569314.db2.gz CESKPQWFAHPRFZ-UHFFFAOYSA-N 0 0 408.523 4.376 40 0 HIABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000224092031 568569484 /nfs/dbraw/zinc/56/94/84/568569484.db2.gz BPHRSJZXTCIZCG-OAHLLOKOSA-N 0 0 407.341 4.132 40 0 HIABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl ZINC000224092461 568569543 /nfs/dbraw/zinc/56/95/43/568569543.db2.gz YUTFDHZBSBZFEP-HNNXBMFYSA-N 0 0 407.341 4.132 40 0 HIABRN C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000224097478 568569706 /nfs/dbraw/zinc/56/97/06/568569706.db2.gz WYHSJJQJCQLPMI-GOSISDBHSA-N 0 0 412.961 4.401 40 0 HIABRN CCc1ccc(OCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000224102859 568569980 /nfs/dbraw/zinc/56/99/80/568569980.db2.gz FUCUFFJQBCUXNY-HXUWFJFHSA-N 0 0 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CC(C)n1cc(CN2CCc3c(=O)[nH]c(N4CCCCC4)nc3C2)c2ccccc21 ZINC000072335532 558936552 /nfs/dbraw/zinc/93/65/52/558936552.db2.gz OQQMOVYVAQKWRZ-UHFFFAOYSA-N 0 0 405.546 4.266 40 0 HIABRN Cc1oc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1CN1CCOCC1 ZINC000019582502 558937644 /nfs/dbraw/zinc/93/76/44/558937644.db2.gz YYYVSGMMYQLOSB-HSZRJFAPSA-N 0 0 422.550 4.270 40 0 HIABRN Cc1cc2nc([C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)cc(C(F)(F)F)n2n1 ZINC000072340919 558939333 /nfs/dbraw/zinc/93/93/33/558939333.db2.gz RIPXRROYNKDQSP-HNNXBMFYSA-N 0 0 420.410 4.144 40 0 HIABRN CC(=O)Nc1ccc(C(=O)CN2CCC3(C=Cc4cc(Cl)ccc4O3)CC2)cc1 ZINC000072341852 558940055 /nfs/dbraw/zinc/94/00/55/558940055.db2.gz VQLDQHOXJCRGKW-UHFFFAOYSA-N 0 0 410.901 4.422 40 0 HIABRN Cn1c(C(=O)N2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)cc2cc(Cl)ccc21 ZINC000072343191 558940875 /nfs/dbraw/zinc/94/08/75/558940875.db2.gz HKTBQEWVNTUKFI-OAHLLOKOSA-N 0 0 421.888 4.297 40 0 HIABRN CNC(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)C2CCC2)C1 ZINC000019591031 558941150 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558951133 /nfs/dbraw/zinc/95/11/33/558951133.db2.gz RHVFQEUDADYKDE-QFIPXVFZSA-N 0 0 400.526 4.407 40 0 HIABRN Cc1nn(C)cc1C(=O)N1CCC[C@H](c2cc(Cc3ccc(F)cc3)cc(C)n2)C1 ZINC000072353993 558951299 /nfs/dbraw/zinc/95/12/99/558951299.db2.gz WOLHQNLAVJSQPI-FQEVSTJZSA-N 0 0 406.505 4.182 40 0 HIABRN Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1 ZINC000072354836 558952189 /nfs/dbraw/zinc/95/21/89/558952189.db2.gz GGOGHELIGABKBC-OAQYLSRUSA-N 0 0 415.472 4.252 40 0 HIABRN Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1 ZINC000072354837 558952197 /nfs/dbraw/zinc/95/21/97/558952197.db2.gz GGOGHELIGABKBC-NRFANRHFSA-N 0 0 415.472 4.252 40 0 HIABRN O=C(NCCc1ccccc1)c1cccc(-c2ccc(C[C@H]3CCCNC3=O)cc2)c1 ZINC000072356257 558953132 /nfs/dbraw/zinc/95/31/32/558953132.db2.gz UNBGABXATBIDOW-XMMPIXPASA-N 0 0 412.533 4.395 40 0 HIABRN O=S(=O)(c1ccc(F)cc1)N1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 ZINC000072357788 558953551 /nfs/dbraw/zinc/95/35/51/558953551.db2.gz GJVHCLROPKMBAC-QFIPXVFZSA-N 0 0 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ZINC000019687966 558957521 /nfs/dbraw/zinc/95/75/21/558957521.db2.gz HIMLKDNAIKGGPH-QHCPKHFHSA-N 0 0 411.509 4.089 40 0 HIABRN COc1cccc(-c2c3c(ccn([C@@H]4CCC[C@H](C)[C@H]4C)c3=O)nc3ncnn32)c1 ZINC000040398241 558958361 /nfs/dbraw/zinc/95/83/61/558958361.db2.gz WZCRTOYGYSQVGQ-QMTMVMCOSA-N 0 0 403.486 4.112 40 0 HIABRN Cc1ccn(CCC(=O)N2CCC[C@H]2c2cc(Nc3ncccc3C)cc(C)n2)n1 ZINC000072372574 558960125 /nfs/dbraw/zinc/96/01/25/558960125.db2.gz PZHAJYFUCLYEQI-NRFANRHFSA-N 0 0 404.518 4.096 40 0 HIABRN Cc1ncsc1C(=O)N1CCC[C@H]1c1cc(Nc2nc(C)cc(C)n2)cc(C)n1 ZINC000072372586 558960173 /nfs/dbraw/zinc/96/01/73/558960173.db2.gz QVHPCZOXAZGSQS-SFHVURJKSA-N 0 0 408.531 4.283 40 0 HIABRN Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)CN2CCCCCC2=O)n1 ZINC000019691957 558961461 /nfs/dbraw/zinc/96/14/61/558961461.db2.gz AJPLIGCQTJMOQU-QHCPKHFHSA-N 0 0 423.532 4.186 40 0 HIABRN Cc1nc(C)c(C(=O)N2CCC(c3ccc(Nc4nc(C)cc(C)n4)cn3)CC2)s1 ZINC000072374233 558961684 /nfs/dbraw/zinc/96/16/84/558961684.db2.gz AXUDJLFPWKDRKN-UHFFFAOYSA-N 0 0 422.558 4.325 40 0 HIABRN Cc1nc(C)c(C(=O)N2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)o1 ZINC000019694374 558962932 /nfs/dbraw/zinc/96/29/32/558962932.db2.gz AEQNLUVRBPADIY-LJQANCHMSA-N 0 0 423.492 4.321 40 0 HIABRN CCS(=O)(=O)[C@@](Cl)(Br)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000096518187 558963206 /nfs/dbraw/zinc/96/32/06/558963206.db2.gz IXACZPFGMRSAKR-MRXNPFEDSA-N 0 0 401.709 4.259 40 0 HIABRN COc1cccc(OC)c1-c1cnc(N(C)C)nc1[C@H]1CCCCN1C(=O)C1CCC1 ZINC000019694820 558963273 /nfs/dbraw/zinc/96/32/73/558963273.db2.gz SUVBLQRWOQDXKU-GOSISDBHSA-N 0 0 424.545 4.081 40 0 HIABRN CCn1cc(CN2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)cn1 ZINC000019694632 558963338 /nfs/dbraw/zinc/96/33/38/558963338.db2.gz LYCOJLVQYHNQEK-NRFANRHFSA-N 0 0 408.525 4.292 40 0 HIABRN CCc1nnc(Nc2cccc([C@@H]3CCCN3C(=O)Cc3cccc(OC)c3)n2)s1 ZINC000072375249 558963846 /nfs/dbraw/zinc/96/38/46/558963846.db2.gz ZZOQSFDTKQPOJO-SFHVURJKSA-N 0 0 423.542 4.154 40 0 HIABRN Nc1n[nH]c2nc([C@@H]3CCCCN3C(=O)CCc3ccccc3)cc(C(F)(F)F)c12 ZINC000019695533 558964175 /nfs/dbraw/zinc/96/41/75/558964175.db2.gz OHZCWBDABDYIPG-INIZCTEOSA-N 0 0 417.435 4.245 40 0 HIABRN Nc1n[nH]c2nc([C@@H]3CCCCN3C(=O)c3ccc(F)cc3)cc(C(F)(F)F)c12 ZINC000019695541 558964194 /nfs/dbraw/zinc/96/41/94/558964194.db2.gz RNCDKGDPTUEXRL-AWEZNQCLSA-N 0 0 407.371 4.065 40 0 HIABRN CNc1ncccc1CN1CCO[C@@H](c2c3ccccc3sc2C(=O)NC(C)C)C1 ZINC000019697598 558965288 /nfs/dbraw/zinc/96/52/88/558965288.db2.gz VWKFJTQDSMCDOG-GOSISDBHSA-N 0 0 424.570 4.050 40 0 HIABRN CCn1cc(CN2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(OC)cc2)cn1 ZINC000072376647 558965922 /nfs/dbraw/zinc/96/59/22/558965922.db2.gz LMHDFZGDMOYCNS-JOCHJYFZSA-N 0 0 420.561 4.162 40 0 HIABRN COc1ccc(CC(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2ccccc2)cc1 ZINC000072377025 558966320 /nfs/dbraw/zinc/96/63/20/558966320.db2.gz ZJRQKXVRIXDMRO-OAQYLSRUSA-N 0 0 402.498 4.031 40 0 HIABRN COc1ccc(CCC(=O)N2CCCC[C@@H]2c2nc(N)ncc2-c2ccccc2)cc1 ZINC000072376997 558966346 /nfs/dbraw/zinc/96/63/46/558966346.db2.gz PBMBMDPKYSLERG-JOCHJYFZSA-N 0 0 416.525 4.421 40 0 HIABRN CCc1ncc(CN2CCCC[C@@H]2c2nc(N)ncc2-c2ccc(Cl)cc2)cn1 ZINC000072377237 558966536 /nfs/dbraw/zinc/96/65/36/558966536.db2.gz LITVDLFGKWRTFM-LJQANCHMSA-N 0 0 408.937 4.459 40 0 HIABRN COc1ccc(CN2CCC[C@H]2c2nc(C)ncc2-c2onc(C)c2C)c(OC)c1 ZINC000072390717 558970983 /nfs/dbraw/zinc/97/09/83/558970983.db2.gz PNXGGQCPOQJIAP-FQEVSTJZSA-N 0 0 408.502 4.411 40 0 HIABRN Cc1cc2nc(CCNC(=O)CCc3nc4cc(Cl)ccc4n3C)[nH]c2cc1C ZINC000019714220 558973946 /nfs/dbraw/zinc/97/39/46/558973946.db2.gz NOBYLRURLNMMCT-UHFFFAOYSA-N 0 0 409.921 4.011 40 0 HIABRN COc1ccc2c(c1)c(C[C@H](C)NC(=O)c1ccc3c(c1)ncn3C1CC1)cn2C ZINC000019714273 558973997 /nfs/dbraw/zinc/97/39/97/558973997.db2.gz KPVUMKYERIYXQG-HNNXBMFYSA-N 0 0 402.498 4.233 40 0 HIABRN COc1ccc([C@@H](NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)C2CC2)cc1 ZINC000019714439 558974420 /nfs/dbraw/zinc/97/44/20/558974420.db2.gz USYZDJURWWMZAQ-NRFANRHFSA-N 0 0 401.890 4.320 40 0 HIABRN 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ZINC000223141264 568539252 /nfs/dbraw/zinc/53/92/52/568539252.db2.gz XCQPRKDBSVUSGS-OAQYLSRUSA-N 0 0 410.558 4.324 40 0 HIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1cccc(Cl)c1 ZINC000223140116 568539259 /nfs/dbraw/zinc/53/92/59/568539259.db2.gz VJHUCAPPNHRGFH-CVEARBPZSA-N 0 0 404.913 4.354 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)COc1cc(C)cc(C)c1C ZINC000223140019 568539273 /nfs/dbraw/zinc/53/92/73/568539273.db2.gz MDXQACMGFJLDAA-FQEVSTJZSA-N 0 0 416.949 4.197 40 0 HIABRN CC(C)CSc1nnc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)s1 ZINC000223166407 568539778 /nfs/dbraw/zinc/53/97/78/568539778.db2.gz HMHHVLMEKSMLFL-JTQLQIEISA-N 0 0 416.366 4.455 40 0 HIABRN CCc1ccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)cc1 ZINC000026114628 568540043 /nfs/dbraw/zinc/54/00/43/568540043.db2.gz WVHKPVMZOSKSEW-UHFFFAOYSA-N 0 0 404.557 4.008 40 0 HIABRN COc1ccc(OC)c([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000223186675 568540549 /nfs/dbraw/zinc/54/05/49/568540549.db2.gz RSYGRYDGDHHNRW-LLVKDONJSA-N 0 0 404.315 4.191 40 0 HIABRN CSc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1C(=O)N1CCCCC1 ZINC000026115675 568540551 /nfs/dbraw/zinc/54/05/51/568540551.db2.gz SAYNKEKTLYHTGH-UHFFFAOYSA-N 0 0 418.584 4.452 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C(C)C ZINC000223193464 568540709 /nfs/dbraw/zinc/54/07/09/568540709.db2.gz RTWZEKLLAVCXJL-HXUWFJFHSA-N 0 0 416.949 4.396 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(Cl)cc1 ZINC000223196737 568540849 /nfs/dbraw/zinc/54/08/49/568540849.db2.gz YFWWGHCVXNVJPP-SFHVURJKSA-N 0 0 408.926 4.125 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1Cl ZINC000223197426 568540857 /nfs/dbraw/zinc/54/08/57/568540857.db2.gz CYFLEDGIXMJKIG-LJQANCHMSA-N 0 0 422.953 4.266 40 0 HIABRN CSc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1NC(C)=O ZINC000223196415 568540882 /nfs/dbraw/zinc/54/08/82/568540882.db2.gz PELFVORTAWCOLM-UHFFFAOYSA-N 0 0 418.584 4.010 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc21 ZINC000223236173 568542077 /nfs/dbraw/zinc/54/20/77/568542077.db2.gz KYLSNPNOTIPBQR-QHCPKHFHSA-N 0 0 406.501 4.465 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223238934 568542174 /nfs/dbraw/zinc/54/21/74/568542174.db2.gz VWUVGPNTIDBJEQ-GOSISDBHSA-N 0 0 411.304 4.228 40 0 HIABRN CC[C@H](NS(=O)(=O)Cc1cccc(Br)c1)c1ccc(OC)c(C)c1 ZINC000223244995 568542403 /nfs/dbraw/zinc/54/24/03/568542403.db2.gz FCQKXEGSJBHDRE-KRWDZBQOSA-N 0 0 412.349 4.337 40 0 HIABRN CCCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CC ZINC000223265557 568543258 /nfs/dbraw/zinc/54/32/58/568543258.db2.gz UTEOCYSIWSQYIB-HSZRJFAPSA-N 0 0 410.558 4.352 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1cccc(Cl)c1 ZINC000223281037 568543932 /nfs/dbraw/zinc/54/39/32/568543932.db2.gz SSCZSXGXCGABGX-MRXNPFEDSA-N 0 0 420.912 4.192 40 0 HIABRN COc1ccc(-c2noc(CNC(=O)CSCc3ccc(Cl)cc3F)n2)cc1 ZINC000223309186 568544766 /nfs/dbraw/zinc/54/47/66/568544766.db2.gz HGVXXLLOPRKDIJ-UHFFFAOYSA-N 0 0 421.881 4.087 40 0 HIABRN Fc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1 ZINC000223318259 568545116 /nfs/dbraw/zinc/54/51/16/568545116.db2.gz KWJYCKMNRXCTCY-YUXAGFNASA-N 0 0 422.529 4.163 40 0 HIABRN CCCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccccn1)c1ccccc1 ZINC000223344781 568545888 /nfs/dbraw/zinc/54/58/88/568545888.db2.gz RZJPQWRVNKABGU-DEOSSOPVSA-N 0 0 401.510 4.268 40 0 HIABRN O=C(NCCSc1ccccc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000223346150 568545928 /nfs/dbraw/zinc/54/59/28/568545928.db2.gz BOCSJEDXECEMEC-SILNSSARSA-N 0 0 408.548 4.428 40 0 HIABRN CC(C)C(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1cccnc1)c1ccccc1 ZINC000223349443 568546144 /nfs/dbraw/zinc/54/61/44/568546144.db2.gz REEPAMROAYORBU-QHCPKHFHSA-N 0 0 401.510 4.124 40 0 HIABRN CCn1c2cc(C)c(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2oc1=O ZINC000223354945 568546196 /nfs/dbraw/zinc/54/61/96/568546196.db2.gz UVRLDHYCMCMFAP-UHFFFAOYSA-N 0 0 401.271 4.030 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(C)cc1 ZINC000223368981 568546737 /nfs/dbraw/zinc/54/67/37/568546737.db2.gz UFMZQXUKOXWPFK-IBGZPJMESA-N 0 0 423.340 4.234 40 0 HIABRN CCOc1ccc(CNC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(C)cc2)cc1 ZINC000223405977 568547718 /nfs/dbraw/zinc/54/77/18/568547718.db2.gz CECXRKPIUXAQAX-JCMHNJIXSA-N 0 0 404.466 4.074 40 0 HIABRN CC[C@H](C)Nc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(OC)cc1 ZINC000223426257 568548682 /nfs/dbraw/zinc/54/86/82/568548682.db2.gz WMPVRWKDESZSAO-HNNXBMFYSA-N 0 0 420.531 4.272 40 0 HIABRN CSc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1NC(=O)C(C)C ZINC000223431236 568548827 /nfs/dbraw/zinc/54/88/27/568548827.db2.gz RVHWYKAOTVLFJZ-UHFFFAOYSA-N 0 0 412.964 4.135 40 0 HIABRN Cc1cc(C)c([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)cc1C ZINC000223438140 568548982 /nfs/dbraw/zinc/54/89/82/568548982.db2.gz LNCCERXSKFDZDT-IBGZPJMESA-N 0 0 414.571 4.196 40 0 HIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(F)cc1 ZINC000223446444 568549053 /nfs/dbraw/zinc/54/90/53/568549053.db2.gz JKMVVJJECMEGGP-HXUWFJFHSA-N 0 0 418.484 4.066 40 0 HIABRN COc1cccc(OCCNC(=O)CSCc2c(Cl)cccc2Cl)c1 ZINC000223443598 568549061 /nfs/dbraw/zinc/54/90/61/568549061.db2.gz VKKBUGVMLJQDGM-UHFFFAOYSA-N 0 0 400.327 4.430 40 0 HIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000223454673 568549278 /nfs/dbraw/zinc/54/92/78/568549278.db2.gz JPYDUGJTYXYWPE-XMMPIXPASA-N 0 0 418.512 4.144 40 0 HIABRN CC[C@H](C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)N(c1ccccc1)S(C)(=O)=O ZINC000223454783 568549293 /nfs/dbraw/zinc/54/92/93/568549293.db2.gz RAPQGOJIVPRKER-GHTZIAJQSA-N 0 0 402.560 4.034 40 0 HIABRN Cc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1C ZINC000223457667 568549421 /nfs/dbraw/zinc/54/94/21/568549421.db2.gz ZIXLBAPWMNSYBQ-SFHVURJKSA-N 0 0 400.544 4.087 40 0 HIABRN Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCOC2CCCCC2)c1 ZINC000223462040 568549609 /nfs/dbraw/zinc/54/96/09/568549609.db2.gz DFSVPHBTVMIKBU-XLNRJJMWSA-N 0 0 410.514 4.215 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1Cc1cccnc1 ZINC000223479625 568550110 /nfs/dbraw/zinc/55/01/10/568550110.db2.gz WZLKNXVJANSKAZ-PKTZIBPZSA-N 0 0 411.534 4.440 40 0 HIABRN O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NCC1CCCCC1 ZINC000223480005 568550119 /nfs/dbraw/zinc/55/01/19/568550119.db2.gz RFXSLGJMUMMXKY-UHFFFAOYSA-N 0 0 420.962 4.232 40 0 HIABRN CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 ZINC000223488603 568550240 /nfs/dbraw/zinc/55/02/40/568550240.db2.gz BNVWIQQHCCJCGL-XMMPIXPASA-N 0 0 404.485 4.274 40 0 HIABRN CC(C)C(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1cccnc1)c1ccccc1 ZINC000223487166 568550265 /nfs/dbraw/zinc/55/02/65/568550265.db2.gz OBKLDWUKKCPKBG-HSZRJFAPSA-N 0 0 419.500 4.263 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C)cc1 ZINC000223498694 568550514 /nfs/dbraw/zinc/55/05/14/568550514.db2.gz FOPUGDSZBQIONP-FQEVSTJZSA-N 0 0 410.558 4.270 40 0 HIABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223502286 568550581 /nfs/dbraw/zinc/55/05/81/568550581.db2.gz ZMPAMGJWWTVAMF-IBGZPJMESA-N 0 0 407.341 4.132 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1cc(C)cc(C)c1C ZINC000223549339 568551463 /nfs/dbraw/zinc/55/14/63/568551463.db2.gz BUYDKYWRHDKOJW-JOCHJYFZSA-N 0 0 424.585 4.367 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223581924 568552307 /nfs/dbraw/zinc/55/23/07/568552307.db2.gz QYQQCQQNNXYIKN-SFHVURJKSA-N 0 0 416.949 4.197 40 0 HIABRN Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)o1 ZINC000223595955 568552807 /nfs/dbraw/zinc/55/28/07/568552807.db2.gz HIARTRLRXBPUQL-WOJBJXKFSA-N 0 0 413.930 4.268 40 0 HIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223603657 568553093 /nfs/dbraw/zinc/55/30/93/568553093.db2.gz ZTFZMQZIOBAQFF-OAQYLSRUSA-N 0 0 424.541 4.072 40 0 HIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1C ZINC000223605706 568553141 /nfs/dbraw/zinc/55/31/41/568553141.db2.gz PHYFDNOXKFPLMG-JOCHJYFZSA-N 0 0 410.558 4.406 40 0 HIABRN CC(C)(C)c1ccc(-c2noc(CNS(=O)(=O)Cc3ccc(Cl)cc3)n2)cc1 ZINC000223629273 568553978 /nfs/dbraw/zinc/55/39/78/568553978.db2.gz QNXTZQPBFKLQEI-UHFFFAOYSA-N 0 0 419.934 4.307 40 0 HIABRN CN(Cc1nc(-c2cccc(Cl)c2)no1)S(=O)(=O)Cc1cccc(Cl)c1 ZINC000223629008 568554000 /nfs/dbraw/zinc/55/40/00/568554000.db2.gz ZGIWLNTYFVIAPJ-UHFFFAOYSA-N 0 0 412.298 4.005 40 0 HIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1F ZINC000223629818 568554086 /nfs/dbraw/zinc/55/40/86/568554086.db2.gz VISNAZXGUNTQAN-OAQYLSRUSA-N 0 0 414.521 4.099 40 0 HIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(F)cc1 ZINC000223652699 568554991 /nfs/dbraw/zinc/55/49/91/568554991.db2.gz BAHBLOJJAVQCOI-QFIPXVFZSA-N 0 0 414.521 4.237 40 0 HIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CC ZINC000223683202 568556081 /nfs/dbraw/zinc/55/60/81/568556081.db2.gz GRBYEVJSONSRRO-LJQANCHMSA-N 0 0 407.341 4.479 40 0 HIABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C)cc1 ZINC000223699325 568556605 /nfs/dbraw/zinc/55/66/05/568556605.db2.gz GMNIXTVNFAPYDQ-QHCPKHFHSA-N 0 0 410.558 4.406 40 0 HIABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cccc(C)c1 ZINC000223699149 568556679 /nfs/dbraw/zinc/55/66/79/568556679.db2.gz MSEKSCRMJVCLLU-HSZRJFAPSA-N 0 0 410.558 4.406 40 0 HIABRN CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1ccc(C)cc1 ZINC000223716376 568557171 /nfs/dbraw/zinc/55/71/71/568557171.db2.gz ZFQYKLWYZSVZFL-JOCHJYFZSA-N 0 0 410.558 4.138 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000223728010 568557600 /nfs/dbraw/zinc/55/76/00/568557600.db2.gz BHQFJJNTZYZFKE-KRWDZBQOSA-N 0 0 418.990 4.435 40 0 HIABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 ZINC000223742533 568557837 /nfs/dbraw/zinc/55/78/37/568557837.db2.gz ORIXIMPXBOXLRB-FQEVSTJZSA-N 0 0 408.542 4.322 40 0 HIABRN Cc1cccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c1C ZINC000223754580 568558101 /nfs/dbraw/zinc/55/81/01/568558101.db2.gz WCXKIFJGNGWZOF-FQEVSTJZSA-N 0 0 408.542 4.158 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccccc1 ZINC000223755598 568558171 /nfs/dbraw/zinc/55/81/71/568558171.db2.gz CDEMQINJUMFYOK-KRWDZBQOSA-N 0 0 402.922 4.052 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000223770039 568558619 /nfs/dbraw/zinc/55/86/19/568558619.db2.gz TVTCKYRSSZRBER-CYBMUJFWSA-N 0 0 411.304 4.228 40 0 HIABRN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCC1CCCCC1 ZINC000223785025 568559005 /nfs/dbraw/zinc/55/90/05/568559005.db2.gz DNNRWXUEPKPUJK-UHFFFAOYSA-N 0 0 420.962 4.232 40 0 HIABRN Cc1cccc(CN(C(=O)COc2cc(C)ccc2C)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223805718 568559518 /nfs/dbraw/zinc/55/95/18/568559518.db2.gz CJCSZEQKCSRKIP-NRFANRHFSA-N 0 0 422.569 4.467 40 0 HIABRN CC(=O)Nc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)cc1 ZINC000223828052 568560075 /nfs/dbraw/zinc/56/00/75/568560075.db2.gz SZYNVPXSWBOLJR-STZFKDTASA-N 0 0 419.506 4.425 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 ZINC000223836825 568560437 /nfs/dbraw/zinc/56/04/37/568560437.db2.gz NZECLIXVYPGRFD-OAHLLOKOSA-N 0 0 407.341 4.479 40 0 HIABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)cc1 ZINC000223852101 568560983 /nfs/dbraw/zinc/56/09/83/568560983.db2.gz LDTZIZAUWZHBFC-FCHUYYIVSA-N 0 0 416.506 4.407 40 0 HIABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000223871237 568561397 /nfs/dbraw/zinc/56/13/97/568561397.db2.gz HCAKKPOAHOORND-SCLBCKFNSA-N 0 0 411.976 4.492 40 0 HIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc(F)cc1 ZINC000223879393 568561749 /nfs/dbraw/zinc/56/17/49/568561749.db2.gz AHNLNPKXFHUJMI-INIZCTEOSA-N 0 0 420.525 4.142 40 0 HIABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000223901090 568562434 /nfs/dbraw/zinc/56/24/34/568562434.db2.gz RRWRILIHLHIVRU-INIZCTEOSA-N 0 0 416.924 4.498 40 0 HIABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000223901134 568562436 /nfs/dbraw/zinc/56/24/36/568562436.db2.gz RRWRILIHLHIVRU-MRXNPFEDSA-N 0 0 416.924 4.498 40 0 HIABRN CN(c1ccc(C(=O)NCC2CCCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000223920144 568562920 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KCRISTMGNREYNX-FQEVSTJZSA-N 0 0 410.558 4.057 40 0 HIABRN CC(=O)Nc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)c1 ZINC000223118888 568538289 /nfs/dbraw/zinc/53/82/89/568538289.db2.gz ZEOBBBJCBQGVBX-STZFKDTASA-N 0 0 419.506 4.425 40 0 HIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1cc(C)ccc1C ZINC000223124596 568538502 /nfs/dbraw/zinc/53/85/02/568538502.db2.gz VEONQWJDWWUXSX-RTBURBONSA-N 0 0 414.521 4.153 40 0 HIABRN C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1cccc(Cl)c1 ZINC000223130290 568538722 /nfs/dbraw/zinc/53/87/22/568538722.db2.gz MYSYMTWIEVGROM-QGZVFWFLSA-N 0 0 416.949 4.093 40 0 HIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1c(F)cccc1Cl ZINC000223140832 568539257 /nfs/dbraw/zinc/53/92/57/568539257.db2.gz QQXDCKPSCGVALW-CABCVRRESA-N 0 0 422.903 4.493 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C(C)C ZINC000223148743 568539470 /nfs/dbraw/zinc/53/94/70/568539470.db2.gz XRZKOWRLYIZJKO-HXUWFJFHSA-N 0 0 416.949 4.396 40 0 HIABRN CSc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1C(=O)N1CCCC1 ZINC000026114766 568540210 /nfs/dbraw/zinc/54/02/10/568540210.db2.gz PAPBVPUHPTVTFR-UHFFFAOYSA-N 0 0 424.975 4.407 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccccc1C ZINC000223240203 568542317 /nfs/dbraw/zinc/54/23/17/568542317.db2.gz YWLKKFKPJSROTQ-GOSISDBHSA-N 0 0 423.340 4.234 40 0 HIABRN CCCn1c2ccc(S(=O)(=O)N[C@@H](C)c3ccc4c(c3)CCC4)cc2sc1=O ZINC000223260180 568543046 /nfs/dbraw/zinc/54/30/46/568543046.db2.gz LRBZWMWZRAOYHF-AWEZNQCLSA-N 0 0 416.568 4.001 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1cc(C)cc(C)c1 ZINC000223268277 568543425 /nfs/dbraw/zinc/54/34/25/568543425.db2.gz HAMBQEBXOPZDEX-LJQANCHMSA-N 0 0 414.521 4.155 40 0 HIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(F)cc1 ZINC000223267269 568543436 /nfs/dbraw/zinc/54/34/36/568543436.db2.gz OXZDUXYAYSMWCD-NRFANRHFSA-N 0 0 414.521 4.235 40 0 HIABRN COc1ccccc1CCCNC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000223270381 568543520 /nfs/dbraw/zinc/54/35/20/568543520.db2.gz IMOHNFUAVYUHBF-FXBPSFAMSA-N 0 0 420.534 4.277 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(CC)cc1 ZINC000223272492 568543615 /nfs/dbraw/zinc/54/36/15/568543615.db2.gz DOIMWVJCXGUIPW-GOSISDBHSA-N 0 0 414.521 4.101 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000223282903 568544128 /nfs/dbraw/zinc/54/41/28/568544128.db2.gz NZKDGHNHAMDGNE-OAHLLOKOSA-N 0 0 422.903 4.494 40 0 HIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccnc2)N1Cc1ccco1 ZINC000223332366 568545476 /nfs/dbraw/zinc/54/54/76/568545476.db2.gz XOCTVIBZIGYVEB-SFTDATJTSA-N 0 0 401.495 4.033 40 0 HIABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)nc1 ZINC000223334735 568545575 /nfs/dbraw/zinc/54/55/75/568545575.db2.gz FYLKZVRROFCSMA-FCHUYYIVSA-N 0 0 415.522 4.341 40 0 HIABRN COc1ccccc1CNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(C)=O ZINC000223336605 568545605 /nfs/dbraw/zinc/54/56/05/568545605.db2.gz YHGVCFDHKKKBOZ-XMMPIXPASA-N 0 0 402.494 4.101 40 0 HIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2ccco2)N1Cc1ccco1 ZINC000223339489 568545757 /nfs/dbraw/zinc/54/57/57/568545757.db2.gz OXAWPKOQXCKISW-LEWJYISDSA-N 0 0 404.495 4.290 40 0 HIABRN CCn1c2cc(Cl)c(S(=O)(=O)Nc3cc(Cl)ccc3Cl)cc2oc1=O ZINC000223363553 568546518 /nfs/dbraw/zinc/54/65/18/568546518.db2.gz IQRQBILAZZRCQI-UHFFFAOYSA-N 0 0 421.689 4.375 40 0 HIABRN Cc1ccccc1N(CCCC(=O)Nc1cccc(Cl)c1Cl)S(C)(=O)=O ZINC000223370983 568546661 /nfs/dbraw/zinc/54/66/61/568546661.db2.gz WGGWDPAWKKXYPR-UHFFFAOYSA-N 0 0 415.342 4.487 40 0 HIABRN COc1ccc(OC)c(S(=O)(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)c1 ZINC000223375158 568546923 /nfs/dbraw/zinc/54/69/23/568546923.db2.gz NBQDZSUPFFLWOA-OAHLLOKOSA-N 0 0 407.532 4.184 40 0 HIABRN Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)Nc4ccc(F)cc4)ccc32)cc1 ZINC000223375178 568546948 /nfs/dbraw/zinc/54/69/48/568546948.db2.gz MBRRJKXNOQOJPB-UHFFFAOYSA-N 0 0 410.470 4.138 40 0 HIABRN Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)N(C)c4ccccc4)ccc32)cc1 ZINC000223377759 568547025 /nfs/dbraw/zinc/54/70/25/568547025.db2.gz JLNRSJHGTFVJIB-UHFFFAOYSA-N 0 0 406.507 4.023 40 0 HIABRN CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000223410403 568547914 /nfs/dbraw/zinc/54/79/14/568547914.db2.gz OYOIZKHMUKEGGE-IFMALSPDSA-N 0 0 414.933 4.115 40 0 HIABRN Cc1cc(C)c([C@@H](C)NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1C ZINC000223414824 568548089 /nfs/dbraw/zinc/54/80/89/568548089.db2.gz BCSARCCHLLSKSU-QGZVFWFLSA-N 0 0 422.978 4.217 40 0 HIABRN CCN(CC)c1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000223422791 568548508 /nfs/dbraw/zinc/54/85/08/568548508.db2.gz YTCYTUPNPDDWNG-UHFFFAOYSA-N 0 0 404.532 4.207 40 0 HIABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1Br ZINC000223429673 568548808 /nfs/dbraw/zinc/54/88/08/568548808.db2.gz BZJVKVKOFXJPCQ-AWEZNQCLSA-N 0 0 412.349 4.422 40 0 HIABRN Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C ZINC000223436659 568548951 /nfs/dbraw/zinc/54/89/51/568548951.db2.gz JEIJKXRNOKNWDH-UHFFFAOYSA-N 0 0 400.544 4.049 40 0 HIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(F)cc1 ZINC000223447350 568549041 /nfs/dbraw/zinc/54/90/41/568549041.db2.gz JJUIHDAIWPDIPJ-FQEVSTJZSA-N 0 0 402.485 4.229 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223443671 568549083 /nfs/dbraw/zinc/54/90/83/568549083.db2.gz BBDGEIPFYBAFTH-HSZRJFAPSA-N 0 0 424.585 4.479 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223455746 568549391 /nfs/dbraw/zinc/54/93/91/568549391.db2.gz IROWVRMSDOJUHC-HXUWFJFHSA-N 0 0 410.558 4.188 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)c(C)c1 ZINC000223455802 568549398 /nfs/dbraw/zinc/54/93/98/568549398.db2.gz IROWVRMSDOJUHC-FQEVSTJZSA-N 0 0 410.558 4.188 40 0 HIABRN Cc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1C ZINC000223457602 568549420 /nfs/dbraw/zinc/54/94/20/568549420.db2.gz ZIXLBAPWMNSYBQ-GOSISDBHSA-N 0 0 400.544 4.087 40 0 HIABRN Cc1ccc(N(CC(=O)NCC2=CCCCC2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000223466018 568549683 /nfs/dbraw/zinc/54/96/83/568549683.db2.gz AFYRIUMEJVYNCI-UHFFFAOYSA-N 0 0 412.555 4.115 40 0 HIABRN Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(I)cc2)cc1C ZINC000223475951 568549848 /nfs/dbraw/zinc/54/98/48/568549848.db2.gz FYCBBLKMUXUNHB-HNNXBMFYSA-N 0 0 423.294 4.473 40 0 HIABRN O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NCC1=CCCCC1 ZINC000223477265 568549951 /nfs/dbraw/zinc/54/99/51/568549951.db2.gz AYKPADSURZHRCU-UHFFFAOYSA-N 0 0 418.946 4.152 40 0 HIABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1cccnc1)c1ccccc1 ZINC000223482691 568550120 /nfs/dbraw/zinc/55/01/20/568550120.db2.gz KDYRSWYCFFTUDV-XMMPIXPASA-N 0 0 419.500 4.407 40 0 HIABRN Cc1cc(C)c([C@H](C)NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1C ZINC000223487320 568550234 /nfs/dbraw/zinc/55/02/34/568550234.db2.gz NBRMTGVGUNCTBR-HNNXBMFYSA-N 0 0 408.951 4.152 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223498508 568550456 /nfs/dbraw/zinc/55/04/56/568550456.db2.gz LNMYBJCKUXXOBC-QGZVFWFLSA-N 0 0 416.949 4.225 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1ccccc1 ZINC000223516020 568550792 /nfs/dbraw/zinc/55/07/92/568550792.db2.gz KJNFEPBVOLKRGB-HXUWFJFHSA-N 0 0 412.599 4.296 40 0 HIABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCOc1ccccc1 ZINC000223545170 568551398 /nfs/dbraw/zinc/55/13/98/568551398.db2.gz QYNXTIPBEFQAQS-NRFANRHFSA-N 0 0 410.558 4.222 40 0 HIABRN CNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 ZINC000223561880 568551814 /nfs/dbraw/zinc/55/18/14/568551814.db2.gz MCXGAGFPJIDEMF-RUZDIDTESA-N 0 0 416.521 4.144 40 0 HIABRN COc1ccccc1[C@H](C)NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 ZINC000223568222 568551924 /nfs/dbraw/zinc/55/19/24/568551924.db2.gz HVIXUEVFCTWYQM-KRWDZBQOSA-N 0 0 424.522 4.011 40 0 HIABRN Cc1ccccc1-c1noc(CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)n1 ZINC000223587182 568552529 /nfs/dbraw/zinc/55/25/29/568552529.db2.gz BDCHQWCDUWTQRX-UHFFFAOYSA-N 0 0 412.298 4.173 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 ZINC000223594217 568552696 /nfs/dbraw/zinc/55/26/96/568552696.db2.gz UROALKHPBRSUHZ-MRXNPFEDSA-N 0 0 404.963 4.294 40 0 HIABRN Cc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)o2)cc1Cl ZINC000223596498 568552836 /nfs/dbraw/zinc/55/28/36/568552836.db2.gz JXCJFJAJRLGVCE-UXHICEINSA-N 0 0 413.930 4.268 40 0 HIABRN Cc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc4c(c3)CCCC4)n2)cc1 ZINC000223616971 568553479 /nfs/dbraw/zinc/55/34/79/568553479.db2.gz MOLMDZJZQZTUNH-QGZVFWFLSA-N 0 0 405.498 4.350 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223622935 568553588 /nfs/dbraw/zinc/55/35/88/568553588.db2.gz SPDTVHYPRPVVBA-GOSISDBHSA-N 0 0 416.949 4.361 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223625796 568553743 /nfs/dbraw/zinc/55/37/43/568553743.db2.gz FZVJXUURZWKZGU-SFHVURJKSA-N 0 0 416.949 4.197 40 0 HIABRN CC(C)c1ccc(-c2noc(CNS(=O)(=O)Cc3cccc(Cl)c3)n2)cc1 ZINC000223628327 568554016 /nfs/dbraw/zinc/55/40/16/568554016.db2.gz RSNQKILHECBRTF-UHFFFAOYSA-N 0 0 405.907 4.133 40 0 HIABRN CCOc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCO)o2)cc1 ZINC000223631183 568554103 /nfs/dbraw/zinc/55/41/03/568554103.db2.gz YJKSZUHWDLVMGF-VXKWHMMOSA-N 0 0 423.538 4.095 40 0 HIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1 ZINC000223652363 568555010 /nfs/dbraw/zinc/55/50/10/568555010.db2.gz NYVVPRSQEQSAGU-QHCPKHFHSA-N 0 0 410.558 4.406 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223671210 568555575 /nfs/dbraw/zinc/55/55/75/568555575.db2.gz RJHULCQYQWXSQY-LJQANCHMSA-N 0 0 410.558 4.225 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccccc1 ZINC000223712134 568557076 /nfs/dbraw/zinc/55/70/76/568557076.db2.gz BIRGJFAPVLDYJI-KRWDZBQOSA-N 0 0 402.922 4.052 40 0 HIABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSCc1ccccc1 ZINC000223720456 568557419 /nfs/dbraw/zinc/55/74/19/568557419.db2.gz BBCROEHGKPADTL-LJQANCHMSA-N 0 0 410.583 4.396 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1C ZINC000223727905 568557566 /nfs/dbraw/zinc/55/75/66/568557566.db2.gz QTFMSBPOZPODKE-KRWDZBQOSA-N 0 0 418.990 4.435 40 0 HIABRN Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1C ZINC000223742455 568557771 /nfs/dbraw/zinc/55/77/71/568557771.db2.gz ZPIXGSNZWREITP-HXUWFJFHSA-N 0 0 408.542 4.158 40 0 HIABRN Cc1ccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1C ZINC000223742403 568557774 /nfs/dbraw/zinc/55/77/74/568557774.db2.gz ZPIXGSNZWREITP-FQEVSTJZSA-N 0 0 408.542 4.158 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000223759595 568558326 /nfs/dbraw/zinc/55/83/26/568558326.db2.gz KYXXOXNOBDEHNZ-KRWDZBQOSA-N 0 0 416.949 4.396 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(F)cc1 ZINC000223761791 568558477 /nfs/dbraw/zinc/55/84/77/568558477.db2.gz AWHGUXQPQOTMCF-OAHLLOKOSA-N 0 0 422.953 4.266 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1cccc(C)c1 ZINC000223767789 568558509 /nfs/dbraw/zinc/55/85/09/568558509.db2.gz AAEFZWBKNKSAAC-KRWDZBQOSA-N 0 0 418.990 4.435 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(Cl)cc1 ZINC000223772020 568558687 /nfs/dbraw/zinc/55/86/87/568558687.db2.gz BIOWWXRTHLYZSX-CQSZACIVSA-N 0 0 408.926 4.125 40 0 HIABRN Cc1ccc(OCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223788781 568559054 /nfs/dbraw/zinc/55/90/54/568559054.db2.gz CIMJDMSGGGXMPU-FQEVSTJZSA-N 0 0 408.542 4.158 40 0 HIABRN O=C(COc1ccc2c(c1)CCCC2)Nc1ccccc1C(=O)NCc1ccco1 ZINC000223786656 568559080 /nfs/dbraw/zinc/55/90/80/568559080.db2.gz MWFJASVMILQJTJ-UHFFFAOYSA-N 0 0 404.466 4.106 40 0 HIABRN Cc1cccc(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000223788711 568559114 /nfs/dbraw/zinc/55/91/14/568559114.db2.gz GCNFMXKBRIYDLV-HXUWFJFHSA-N 0 0 408.542 4.158 40 0 HIABRN Cc1cccc(CN(C(=O)COc2cccc(C)c2C)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223807109 568559502 /nfs/dbraw/zinc/55/95/02/568559502.db2.gz KSRJYUMBCQNKOG-NRFANRHFSA-N 0 0 422.569 4.467 40 0 HIABRN COc1ccc(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223806103 568559531 /nfs/dbraw/zinc/55/95/31/568559531.db2.gz CTWAQFSCSYMYDU-IBGZPJMESA-N 0 0 408.542 4.022 40 0 HIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(F)cc1 ZINC000223817831 568559863 /nfs/dbraw/zinc/55/98/63/568559863.db2.gz MWSAPQRKNZJYIA-OAQYLSRUSA-N 0 0 402.485 4.231 40 0 HIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(F)cc1 ZINC000223817843 568559865 /nfs/dbraw/zinc/55/98/65/568559865.db2.gz MWSAPQRKNZJYIA-NRFANRHFSA-N 0 0 402.485 4.231 40 0 HIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSc1ccc(C)cc1 ZINC000223844031 568560564 /nfs/dbraw/zinc/56/05/64/568560564.db2.gz XXWRKJGYDXRSRF-KRWDZBQOSA-N 0 0 402.535 4.170 40 0 HIABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 ZINC000223865029 568561260 /nfs/dbraw/zinc/56/12/60/568561260.db2.gz WYGKMACFWQSALV-MRXNPFEDSA-N 0 0 416.924 4.498 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(OC)cc1 ZINC000223869278 568561409 /nfs/dbraw/zinc/56/14/09/568561409.db2.gz VQOXXEOKIWLFFV-AWEZNQCLSA-N 0 0 423.340 4.098 40 0 HIABRN 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biogenic,in-vitro HIABRN Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2nc(-c3cccs3)no2)CC1 ZINC000007851018 132326119 /nfs/dbraw/zinc/32/61/19/132326119.db2.gz YGIKMJCHWYCBEW-UHFFFAOYSA-N 0 0 416.934 4.041 40 0 HIABRN CCc1ccc(-c2c3c(nc4nc(N5CCCCC5)[nH]c(=O)c42)CCCC3=O)cc1 ZINC000020673694 132470679 /nfs/dbraw/zinc/47/06/79/132470679.db2.gz ZVTBQMCTCCPOFL-UHFFFAOYSA-N 0 0 402.498 4.057 40 0 HIABRN CC(=O)N1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)CC1 ZINC000036628243 519594646 /nfs/dbraw/zinc/59/46/46/519594646.db2.gz GMVJSNHQUSBZSK-UHFFFAOYSA-N 0 0 411.509 4.064 40 0 HIABRN CCC1=Nc2cc(C(=O)NCCCN3CCOCC3)ccc2Sc2ccc(C)cc21 ZINC000020178945 519849611 /nfs/dbraw/zinc/84/96/11/519849611.db2.gz FYANODVZWVGQHK-UHFFFAOYSA-N 0 0 423.582 4.443 40 0 HIABRN CCCOc1c(Cl)cc(/C=C/C(=O)N[C@H]2CCC[C@H]2n2ccnc2)cc1OC ZINC000032915553 520292769 /nfs/dbraw/zinc/29/27/69/520292769.db2.gz ZIMMXSJRGRBRQC-KBSZCIAZSA-N 0 0 403.910 4.257 40 0 HIABRN CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1ccccc1F ZINC000019818192 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417.513 4.051 40 0 HIABRN CCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)cc1 ZINC000020061607 558329411 /nfs/dbraw/zinc/32/94/11/558329411.db2.gz JRABMLFTKSOHFA-UHFFFAOYSA-N 0 0 416.543 4.211 40 0 HIABRN Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(F)cc1F ZINC000020061657 558329426 /nfs/dbraw/zinc/32/94/26/558329426.db2.gz ORQHOVKIXPWVSU-UHFFFAOYSA-N 0 0 408.470 4.090 40 0 HIABRN CC[C@H](NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl)c1ccc(OC)cc1 ZINC000020106342 558333413 /nfs/dbraw/zinc/33/34/13/558333413.db2.gz BCGOOVNNTBDQMZ-ZDUSSCGKSA-N 0 0 404.315 4.440 40 0 HIABRN Cc1ccc(C2(C(=O)N[C@H](Cn3nc(-c4cccs4)ccc3=O)C(C)C)CC2)cc1 ZINC000012144973 558336168 /nfs/dbraw/zinc/33/61/68/558336168.db2.gz CXOWECYLSMHQOH-HXUWFJFHSA-N 0 0 421.566 4.153 40 0 HIABRN COc1cc(NC(=O)Cc2ccc(Br)cc2)ccc1-c1ccc(CO)o1 ZINC000020137220 558337654 /nfs/dbraw/zinc/33/76/54/558337654.db2.gz MEXOVPXDXSWXDL-UHFFFAOYSA-N 0 0 416.271 4.391 40 0 HIABRN Cc1cc(C(C)(C)C)oc1C(=O)N1CCC2(CC1)NC(=O)c1cc(Cl)ccc1N2 ZINC000012146346 558337670 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O=C(NCc1ccc(-c2nc(C3CC3)ncc2-c2ccccn2)cc1)c1ccccn1 ZINC000012257217 558362986 /nfs/dbraw/zinc/36/29/86/558362986.db2.gz NBUHCTZBHLICPM-UHFFFAOYSA-N 0 0 407.477 4.408 40 0 HIABRN CCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1 ZINC000020452158 558366302 /nfs/dbraw/zinc/36/63/02/558366302.db2.gz QLRIRRVHBAAVDT-HNNXBMFYSA-N 0 0 416.543 4.353 40 0 HIABRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000020452275 558366530 /nfs/dbraw/zinc/36/65/30/558366530.db2.gz MAXUJRMQPGOVBE-JOCHJYFZSA-N 0 0 414.571 4.297 40 0 HIABRN CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 ZINC000020454168 558368101 /nfs/dbraw/zinc/36/81/01/558368101.db2.gz IYGSUAFMYRMUEI-HSZRJFAPSA-N 0 0 422.550 4.300 40 0 HIABRN CC(C)C[C@@H](NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccccc1 ZINC000020456077 558369665 /nfs/dbraw/zinc/36/96/65/558369665.db2.gz ITGDMFCWZDFVHG-OXQOHEQNSA-N 0 0 422.978 4.398 40 0 HIABRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3)c2)cc1 ZINC000020460166 558372360 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Cc1nccn1-c1ccc(CNS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000020494656 558379924 /nfs/dbraw/zinc/37/99/24/558379924.db2.gz WGNRABHULKLWLN-UHFFFAOYSA-N 0 0 410.326 4.107 40 0 HIABRN Cn1cc(Cl)c(C(=O)NCCCn2c(-c3ccc(F)cc3)cc3cccnc32)n1 ZINC000012327476 558383189 /nfs/dbraw/zinc/38/31/89/558383189.db2.gz LQOGKEGIHFWTMQ-UHFFFAOYSA-N 0 0 411.868 4.049 40 0 HIABRN CCc1nn2c(nnc(C(=O)Nc3ccc(C)cc3)c2C)c1-c1ccc(OC)cc1 ZINC000020672914 558398844 /nfs/dbraw/zinc/39/88/44/558398844.db2.gz BEDMSQKAPUPKAE-UHFFFAOYSA-N 0 0 401.470 4.231 40 0 HIABRN CCCCCN1c2nc3ccccc3n2[C@@H](c2cccs2)[C@H](C(=O)OCC)C1=O ZINC000020675617 558399681 /nfs/dbraw/zinc/39/96/81/558399681.db2.gz IPGSETZSAVVYDH-OALUTQOASA-N 0 0 411.527 4.403 40 0 HIABRN [NH3+][C@H](CC(=O)[O-])C[C@H](C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC000021301536 558435106 /nfs/dbraw/zinc/43/51/06/558435106.db2.gz AKOAIHXJYVFJIN-MBSDFSHPSA-N 0 0 415.489 4.318 40 0 HIABRN COC(=O)c1cc2cc(NC(=O)c3cn4c5c(cccc5c3=O)CCC4)ccc2s1 ZINC000022235593 558470509 /nfs/dbraw/zinc/47/05/09/558470509.db2.gz CFASTRJINBSJNZ-UHFFFAOYSA-N 0 0 418.474 4.201 40 0 HIABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1C ZINC000022279508 558475728 /nfs/dbraw/zinc/47/57/28/558475728.db2.gz ZKONTAVSSUTJBN-HXUWFJFHSA-N 0 0 422.550 4.376 40 0 HIABRN CC[C@H](NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000022337497 558481726 /nfs/dbraw/zinc/48/17/26/558481726.db2.gz ADZAFPSDFMGZHY-IBGZPJMESA-N 0 0 422.978 4.299 40 0 HIABRN O=C(CN(c1ccccc1F)S(=O)(=O)c1cccs1)Nc1ccccc1Cl ZINC000022380000 558484526 /nfs/dbraw/zinc/48/45/26/558484526.db2.gz TXELYRQJFBGSPU-UHFFFAOYSA-N 0 0 424.906 4.375 40 0 HIABRN CC(C)Oc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1 ZINC000022379907 558484553 /nfs/dbraw/zinc/48/45/53/558484553.db2.gz VUHAZRWGYCLKJZ-UHFFFAOYSA-N 0 0 404.532 4.002 40 0 HIABRN Cc1cccc(C)c1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1 ZINC000022379393 558484561 /nfs/dbraw/zinc/48/45/61/558484561.db2.gz BWKMGHKKJPADHW-UHFFFAOYSA-N 0 0 418.515 4.338 40 0 HIABRN Cc1cc(C)c(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)S(C)(=O)=O)c(C)c1 ZINC000022382856 558484876 /nfs/dbraw/zinc/48/48/76/558484876.db2.gz ZABHJQZOGLHMFR-UHFFFAOYSA-N 0 0 415.342 4.323 40 0 HIABRN Cc1cc(C)c(N(CC(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)c(C)c1 ZINC000022392986 558486240 /nfs/dbraw/zinc/48/62/40/558486240.db2.gz JYKOTVUUCFWMQR-UHFFFAOYSA-N 0 0 402.560 4.448 40 0 HIABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022430055 558489261 /nfs/dbraw/zinc/48/92/61/558489261.db2.gz PAOPZAPYBFBGIC-FQEVSTJZSA-N 0 0 422.550 4.376 40 0 HIABRN CC(C)Oc1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c1 ZINC000022508606 558492493 /nfs/dbraw/zinc/49/24/93/558492493.db2.gz UYOYMULKLPOTNL-UHFFFAOYSA-N 0 0 416.543 4.042 40 0 HIABRN Cc1ccccc1[C@H](NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1)c1ccccc1 ZINC000022510149 558492672 /nfs/dbraw/zinc/49/26/72/558492672.db2.gz BZCMXOYGYSXHJB-JOCHJYFZSA-N 0 0 408.523 4.194 40 0 HIABRN CC[C@@H](NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000022510006 558492716 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Cc1cccc(CCCNC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c1 ZINC000013646186 558556814 /nfs/dbraw/zinc/55/68/14/558556814.db2.gz MQIDTNAALIOOMJ-UHFFFAOYSA-N 0 0 422.550 4.467 40 0 HIABRN Cc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C)c2)c2cccc(C)c2)cc1 ZINC000013649296 558557857 /nfs/dbraw/zinc/55/78/57/558557857.db2.gz YPNKBCYQSCTZJQ-UHFFFAOYSA-N 0 0 422.550 4.124 40 0 HIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)c2ccccc2)c2ccc(C)cc2C)cc1 ZINC000013670243 558561737 /nfs/dbraw/zinc/56/17/37/558561737.db2.gz JFPAQNOEDYDZLU-UHFFFAOYSA-N 0 0 422.550 4.470 40 0 HIABRN Cc1cc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1NS(=O)(=O)c1ccccc1 ZINC000013671148 558562399 /nfs/dbraw/zinc/56/23/99/558562399.db2.gz HQGQSVNKKGCZMD-KRWDZBQOSA-N 0 0 406.507 4.387 40 0 HIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc32)c2cccc(C)c2)cc1 ZINC000013671384 558562533 /nfs/dbraw/zinc/56/25/33/558562533.db2.gz NSMBRIIIMFGBJI-UHFFFAOYSA-N 0 0 420.534 4.088 40 0 HIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc32)c2ccccc2C)cc1 ZINC000013672016 558562762 /nfs/dbraw/zinc/56/27/62/558562762.db2.gz QEVRWIDPXFVAEV-UHFFFAOYSA-N 0 0 420.534 4.088 40 0 HIABRN Cc1cc(OCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)ccc1Br ZINC000013683674 558568159 /nfs/dbraw/zinc/56/81/59/558568159.db2.gz OONCDTDKSGLNMU-UHFFFAOYSA-N 0 0 419.319 4.303 40 0 HIABRN CCc1cccc(C)c1NC(=O)[C@@H](CC)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712498 558576828 /nfs/dbraw/zinc/57/68/28/558576828.db2.gz QWLIOCGRZBBCKG-GOSISDBHSA-N 0 0 408.951 4.394 40 0 HIABRN CCc1cccc(CC)c1NC(=O)[C@@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713558 558577620 /nfs/dbraw/zinc/57/76/20/558577620.db2.gz PUPSJISWDYSIJZ-HXUWFJFHSA-N 0 0 402.560 4.303 40 0 HIABRN CC[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714592 558578127 /nfs/dbraw/zinc/57/81/27/558578127.db2.gz YTGXGLCMZLDLCZ-MRXNPFEDSA-N 0 0 419.305 4.316 40 0 HIABRN CC[C@@H](C(=O)Nc1ccc(OC(C)C)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714862 558578338 /nfs/dbraw/zinc/57/83/38/558578338.db2.gz BPLVJFUOPBMXRH-IBGZPJMESA-N 0 0 424.950 4.311 40 0 HIABRN CC[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715283 558578724 /nfs/dbraw/zinc/57/87/24/558578724.db2.gz KCPGCBPKLGONKZ-INIZCTEOSA-N 0 0 419.305 4.316 40 0 HIABRN O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)Nc1cccc(F)c1 ZINC000024605980 558602615 /nfs/dbraw/zinc/60/26/15/558602615.db2.gz FZLHBBNMILJZFX-UHFFFAOYSA-N 0 0 418.877 4.313 40 0 HIABRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2c(C)cccc2C(C)C)ccc1OC ZINC000014739457 558666277 /nfs/dbraw/zinc/66/62/77/558666277.db2.gz CWPFDZVSWKLASZ-UHFFFAOYSA-N 0 0 418.559 4.410 40 0 HIABRN COc1ccccc1CCCNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039767740 558686112 /nfs/dbraw/zinc/68/61/12/558686112.db2.gz SHMYMSYFTPURLG-UHFFFAOYSA-N 0 0 418.940 4.449 40 0 HIABRN CCOC(=O)[C@@H]1C(=O)OC(C)(C)[C@@H]1[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000015021860 558703205 /nfs/dbraw/zinc/70/32/05/558703205.db2.gz AXHGEHQOHNCEHE-IPMKNSEASA-N 0 0 414.885 4.437 40 0 HIABRN Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000015079866 558718310 /nfs/dbraw/zinc/71/83/10/558718310.db2.gz ANBHCUXTHXSEKV-UHFFFAOYSA-N 0 0 412.433 4.051 40 0 HIABRN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)N[C@H](C)c3cnn(C)c3C)c12 ZINC000036616530 558730889 /nfs/dbraw/zinc/73/08/89/558730889.db2.gz DZLCJIORFNSJSS-CQSZACIVSA-N 0 0 414.513 4.139 40 0 HIABRN CCSc1ccccc1NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000030853377 558740449 /nfs/dbraw/zinc/74/04/49/558740449.db2.gz AVKIMXPXPBIPMF-UHFFFAOYSA-N 0 0 410.536 4.123 40 0 HIABRN CCc1ccccc1O[C@H](C)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000030866102 558742727 /nfs/dbraw/zinc/74/27/27/558742727.db2.gz MNPLTAJDZHZUDJ-MRXNPFEDSA-N 0 0 406.448 4.384 40 0 HIABRN CCSc1ccccc1NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000030871336 558743340 /nfs/dbraw/zinc/74/33/40/558743340.db2.gz FJIYWQCKHFEZBB-MRXNPFEDSA-N 0 0 406.573 4.209 40 0 HIABRN CCN(CC(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000033757032 558771309 /nfs/dbraw/zinc/77/13/09/558771309.db2.gz BOLPNEDFYJDICZ-UHFFFAOYSA-N 0 0 415.342 4.260 40 0 HIABRN COc1ccc(C(OC[C@H]2OCC[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000034165691 558773283 /nfs/dbraw/zinc/77/32/83/558773283.db2.gz ZUNGTVUTOQJPDE-LOSJGSFVSA-N 0 0 420.505 4.162 40 0 HIABRN CC(C)(C)c1cc(OC(=O)c2ccc(C(=O)Oc3cc(C(C)(C)C)[nH]n3)cc2)n[nH]1 ZINC000016322977 558786446 /nfs/dbraw/zinc/78/64/46/558786446.db2.gz HVKCDCRKYHSYHQ-UHFFFAOYSA-N 0 0 410.474 4.166 40 0 HIABRN CC[C@H](C(=O)N[C@H]1CCCc2ccccc21)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000036127202 558797934 /nfs/dbraw/zinc/79/79/34/558797934.db2.gz MUNSEDAOCDWONM-VQTJNVASSA-N 0 0 420.962 4.078 40 0 HIABRN CCOc1ccccc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000016693517 558800511 /nfs/dbraw/zinc/80/05/11/558800511.db2.gz JXHDHFLKBQDHMO-UHFFFAOYSA-N 0 0 416.543 4.047 40 0 HIABRN Cc1ccc2[nH]nc(C(=O)Nc3nnc(CCOc4ccc(Cl)cc4)s3)c2c1 ZINC000036752736 558802968 /nfs/dbraw/zinc/80/29/68/558802968.db2.gz KSDYHZPFRUZHSR-UHFFFAOYSA-N 0 0 413.890 4.250 40 0 HIABRN COc1ccccc1C(=O)CSc1nnc(-c2cnccn2)n1-c1ccc(C)cc1 ZINC000016789562 558807102 /nfs/dbraw/zinc/80/71/02/558807102.db2.gz HISCLYLGXAZBMQ-UHFFFAOYSA-N 0 0 417.494 4.016 40 0 HIABRN Nn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccc(F)cc1 ZINC000016805121 558807397 /nfs/dbraw/zinc/80/73/97/558807397.db2.gz YJQMMNKCRPFVFE-UHFFFAOYSA-N 0 0 419.485 4.196 40 0 HIABRN COc1cccc([C@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)c1 ZINC000100934740 558810761 /nfs/dbraw/zinc/81/07/61/558810761.db2.gz WSIPDBWUZFVXNM-VABKMULXSA-N 0 0 414.461 4.055 40 0 HIABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NCCCOC ZINC000038755262 558814420 /nfs/dbraw/zinc/81/44/20/558814420.db2.gz BRPNJZIVNVSKAZ-HSZRJFAPSA-N 0 0 420.509 4.402 40 0 HIABRN COCc1nn2c(ncc(C(=O)Nc3ccc(OC)cc3)c2C)c1-c1ccccc1 ZINC000038829703 558816360 /nfs/dbraw/zinc/81/63/60/558816360.db2.gz IAXZBLNCDFDTOG-UHFFFAOYSA-N 0 0 402.454 4.112 40 0 HIABRN CCOC(=O)c1c2c(sc1NC(=O)c1ccc(Cn3ccnc3)cc1)CCCC2 ZINC000038857850 558819551 /nfs/dbraw/zinc/81/95/51/558819551.db2.gz LLDPUYKXCDKVDI-UHFFFAOYSA-N 0 0 409.511 4.301 40 0 HIABRN Cc1cc(Cl)ccc1OCC(=O)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O ZINC000017092448 558820916 /nfs/dbraw/zinc/82/09/16/558820916.db2.gz OJHMATBLWBGKIN-UHFFFAOYSA-N 0 0 420.852 4.467 40 0 HIABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(C)cc2C)cc1Cl ZINC000039986492 558824113 /nfs/dbraw/zinc/82/41/13/558824113.db2.gz LSOLKEKQOPCCOX-UHFFFAOYSA-N 0 0 424.950 4.005 40 0 HIABRN Cc1ccc([C@@H](NC(=O)c2ccc(CN3CCOCC3)cc2)c2ccccc2)cc1 ZINC000018086783 558830880 /nfs/dbraw/zinc/83/08/80/558830880.db2.gz BCKJJEJYSVSOFH-VWLOTQADSA-N 0 0 400.522 4.347 40 0 HIABRN CC(=O)Nc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3Cc2ccc(Cl)cc2)cc1 ZINC000019022361 558838078 /nfs/dbraw/zinc/83/80/78/558838078.db2.gz XWXPZFLYOINICC-OAQYLSRUSA-N 0 0 422.916 4.351 40 0 HIABRN C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000019080723 558839303 /nfs/dbraw/zinc/83/93/03/558839303.db2.gz VJAPJRPWWKOQTJ-GFCCVEGCSA-N 0 0 400.431 4.008 40 0 HIABRN CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)CC(C)(C)C)C1 ZINC000019082611 558840284 /nfs/dbraw/zinc/84/02/84/558840284.db2.gz PSAMBGLSKQYUEQ-VWLOTQADSA-N 0 0 407.558 4.082 40 0 HIABRN COc1ccccc1-c1ccccc1C[C@@H]1CN(C(=O)CC(C)(C)C)CCN(C)C1=O ZINC000019082665 558840301 /nfs/dbraw/zinc/84/03/01/558840301.db2.gz CNEIBBQBFNYQCB-HXUWFJFHSA-N 0 0 422.569 4.258 40 0 HIABRN CC(C)(C)CC(=O)N[C@@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccc(F)cc1 ZINC000019082778 558840479 /nfs/dbraw/zinc/84/04/79/558840479.db2.gz HDHQBRZVRMTTHM-IBGZPJMESA-N 0 0 408.477 4.220 40 0 HIABRN CC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)c3ccncc3)CC2)n1 ZINC000019084760 558840935 /nfs/dbraw/zinc/84/09/35/558840935.db2.gz DUYWAIVXTZKNKU-UHFFFAOYSA-N 0 0 401.514 4.251 40 0 HIABRN COc1ccccc1OCc1cc(C)c(C(=O)N2CCN(C)C[C@H]2c2ccccc2)o1 ZINC000019119609 558842759 /nfs/dbraw/zinc/84/27/59/558842759.db2.gz HAZLMRCHAJODIP-NRFANRHFSA-N 0 0 420.509 4.305 40 0 HIABRN Cc1cc(C[C@@H]2COC[C@H]2N(Cc2ccncc2)Cc2c(F)cccc2Cl)on1 ZINC000019120643 558843072 /nfs/dbraw/zinc/84/30/72/558843072.db2.gz SVOLCLVQZBXDEZ-VGOFRKELSA-N 0 0 415.896 4.430 40 0 HIABRN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1c1nc(C)ncc1-c1cc(C)no1 ZINC000019122410 558843743 /nfs/dbraw/zinc/84/37/43/558843743.db2.gz XPOZBPFYNVIJRT-QGZVFWFLSA-N 0 0 412.877 4.388 40 0 HIABRN Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(C(=O)OC(C)(C)C)CC2)on1 ZINC000019122912 558843934 /nfs/dbraw/zinc/84/39/34/558843934.db2.gz CEVWFIWTWKSBNS-UHFFFAOYSA-N 0 0 413.522 4.155 40 0 HIABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)CCc3ccccc3F)C1)N2 ZINC000019127794 558844947 /nfs/dbraw/zinc/84/49/47/558844947.db2.gz OZKGEROEUCZKOS-YTQUADARSA-N 0 0 420.479 4.192 40 0 HIABRN Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)[C@H](C)Cc3cccs3)CC1)N2 ZINC000019128358 558845032 /nfs/dbraw/zinc/84/50/32/558845032.db2.gz BXMXWPMDISPUJZ-JEBQAFNWSA-N 0 0 422.545 4.361 40 0 HIABRN Cc1ccc(CC(=O)N2CC[C@](Cc3ccccc3-c3cccs3)(C(N)=O)C2)cc1 ZINC000019209239 558847927 /nfs/dbraw/zinc/84/79/27/558847927.db2.gz XLEPUGWNPHXJHF-RUZDIDTESA-N 0 0 418.562 4.213 40 0 HIABRN Cc1ccc([C@@H](NC(=O)c2ccc(CN3CCOCC3)cc2)c2ccncc2)cc1C ZINC000019213612 558849354 /nfs/dbraw/zinc/84/93/54/558849354.db2.gz CMCFTDXETKYTHN-VWLOTQADSA-N 0 0 415.537 4.050 40 0 HIABRN Cc1ccc(C(=O)N2CCC[C@@H](c3cc(N(C)C)nc(-c4cccnc4)n3)C2)cc1F ZINC000019214436 558849635 /nfs/dbraw/zinc/84/96/35/558849635.db2.gz RYPORDXXUOERIG-LJQANCHMSA-N 0 0 419.504 4.072 40 0 HIABRN Cc1ccc(C(=O)N2CCC[C@@H](c3cc(N(C)C)nc(-c4ccncc4)n3)C2)cc1F ZINC000019214446 558849643 /nfs/dbraw/zinc/84/96/43/558849643.db2.gz HLQHEWMMKSEZCO-LJQANCHMSA-N 0 0 419.504 4.072 40 0 HIABRN Cc1ccc(-c2cccc(NC(=O)Cn3nc(-c4ccc(C)s4)cc(N)c3=O)c2)o1 ZINC000019216745 558850519 /nfs/dbraw/zinc/85/05/19/558850519.db2.gz CORRASCQSLMJIU-UHFFFAOYSA-N 0 0 420.494 4.070 40 0 HIABRN Cc1cc(-c2cnc(NCCNC(=O)C3CCCC3)nc2-c2ccc(C)s2)on1 ZINC000019217403 558850821 /nfs/dbraw/zinc/85/08/21/558850821.db2.gz IWHJJKJLZMXOOR-UHFFFAOYSA-N 0 0 411.531 4.195 40 0 HIABRN Cc1nc(C)n(C[C@H](C)C(=O)Nc2ccc(CCc3nc4cc(C)ccc4[nH]3)cc2)n1 ZINC000019221538 558852001 /nfs/dbraw/zinc/85/20/01/558852001.db2.gz KTHQTSCOZCRTOQ-INIZCTEOSA-N 0 0 416.529 4.140 40 0 HIABRN Cc1cccc(C2(CNC(=O)CCc3nc4c(cc(C)cc4C)[nH]3)CCOCC2)c1 ZINC000019234540 558853879 /nfs/dbraw/zinc/85/38/79/558853879.db2.gz MSJPWSSASYSISQ-UHFFFAOYSA-N 0 0 405.542 4.285 40 0 HIABRN Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)Cc2cccc(C)c2)c1C ZINC000019234705 558854034 /nfs/dbraw/zinc/85/40/34/558854034.db2.gz PAUFMWOHRLUWPT-HXUWFJFHSA-N 0 0 419.529 4.029 40 0 HIABRN Cc1cccc(N2C[C@@H](c3cc(=O)[nH]c(NCc4ccccc4Cl)n3)CC2=O)c1C ZINC000019235592 558854645 /nfs/dbraw/zinc/85/46/45/558854645.db2.gz OTAITBRXYNRGJQ-KRWDZBQOSA-N 0 0 422.916 4.173 40 0 HIABRN Cc1cnc(C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3Cc2ccccc2Cl)cn1 ZINC000019238983 558857786 /nfs/dbraw/zinc/85/77/86/558857786.db2.gz GAGXMZFIVTYZGB-GOSISDBHSA-N 0 0 409.921 4.127 40 0 HIABRN COc1ccc(CC(=O)N2CCCC[C@@H]2c2nc(C)ncc2-c2ccncc2C)cc1 ZINC000019239715 558858378 /nfs/dbraw/zinc/85/83/78/558858378.db2.gz CRMXMRNGTLJGOM-HSZRJFAPSA-N 0 0 416.525 4.460 40 0 HIABRN Cc1ncc(-c2nc(NC(C)C)cc([C@@H]3CCCN(C(=O)c4ccccn4)C3)n2)s1 ZINC000019287363 558860871 /nfs/dbraw/zinc/86/08/71/558860871.db2.gz NJHJZKXLWYWFHW-MRXNPFEDSA-N 0 0 422.558 4.144 40 0 HIABRN COc1ccc2c(cc(C(=O)N3CCC[C@H](c4cc5ncccc5[nH]4)C3)n2C)c1OC ZINC000019289695 558862160 /nfs/dbraw/zinc/86/21/60/558862160.db2.gz QCXGWUUESGONFP-HNNXBMFYSA-N 0 0 418.497 4.092 40 0 HIABRN COc1cc2c(cc(C(=O)N3CCC[C@H](c4cc5ncccc5[nH]4)C3)n2C)c(OC)c1 ZINC000019289684 558862205 /nfs/dbraw/zinc/86/22/05/558862205.db2.gz HTSKJKRXAHPEAK-HNNXBMFYSA-N 0 0 418.497 4.092 40 0 HIABRN Cn1c(CCNC(=O)c2cc(-c3ccncc3)nc3ccccc32)nc2ccccc21 ZINC000019289921 558862351 /nfs/dbraw/zinc/86/23/51/558862351.db2.gz MSEROBXOKKEOFZ-UHFFFAOYSA-N 0 0 407.477 4.156 40 0 HIABRN Cn1c(C(=O)N2CCC[C@]3(CCC(=O)N3)[C@H]2c2ccc(F)cc2)cc2cc(F)ccc21 ZINC000019289759 558862375 /nfs/dbraw/zinc/86/23/75/558862375.db2.gz SZSOGXDXWBGEIL-VWNXMTODSA-N 0 0 423.463 4.083 40 0 HIABRN Cn1ccc([C@H]2CCCCCN2C(=O)c2cc3nc(C4CC4)cc(C(F)F)n3n2)n1 ZINC000019291036 558863473 /nfs/dbraw/zinc/86/34/73/558863473.db2.gz XJWHXRRUWDLUHY-QGZVFWFLSA-N 0 0 414.460 4.035 40 0 HIABRN O=C(Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1)c1cc2c([nH]c1=O)CCC2 ZINC000019293007 558864658 /nfs/dbraw/zinc/86/46/58/558864658.db2.gz LEFGVMIBXABUAB-UHFFFAOYSA-N 0 0 420.321 4.470 40 0 HIABRN O=S(=O)(c1cccc(Cl)c1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 ZINC000019293470 558865130 /nfs/dbraw/zinc/86/51/30/558865130.db2.gz MVDOXRGDHSIYAK-LBPRGKRZSA-N 0 0 409.920 4.020 40 0 HIABRN COc1cc([C@H]2NCCC(c3ccccc3)(c3ccccc3)N2)cc(OC)c1OC ZINC000019322125 558867511 /nfs/dbraw/zinc/86/75/11/558867511.db2.gz SWDLERLJLTVXCN-DEOSSOPVSA-N 0 0 404.510 4.238 40 0 HIABRN NC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC000019331544 558868556 /nfs/dbraw/zinc/86/85/56/558868556.db2.gz LDKKXMLLGWROQL-MHECFPHRSA-N 0 0 408.567 4.408 40 0 HIABRN NC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CCCN(C(=O)CCC2CCCC2)C1 ZINC000019340664 558871625 /nfs/dbraw/zinc/87/16/25/558871625.db2.gz CHXYXFWISSJTTC-SANMLTNESA-N 0 0 419.569 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HIABRN COc1ccc([C@@H](NC(=O)c2ccc([C@@H](C)N3CCOCC3)o2)c2ccccc2)cc1 ZINC000019458736 558892561 /nfs/dbraw/zinc/89/25/61/558892561.db2.gz PTUBTJFOQJVSCJ-KOSHJBKYSA-N 0 0 420.509 4.201 40 0 HIABRN COc1ccc([C@H](C)NC(=O)CCc2nc(-c3ccccc3Cl)no2)cc1F ZINC000019458634 558892673 /nfs/dbraw/zinc/89/26/73/558892673.db2.gz ROZDHYIISUZZSH-LBPRGKRZSA-N 0 0 403.841 4.348 40 0 HIABRN C[C@@H](c1ccc(C(=O)NCC2(c3ccccc3F)CCCC2)o1)N1CCOCC1 ZINC000019458749 558892820 /nfs/dbraw/zinc/89/28/20/558892820.db2.gz HPDIEUYPQKUHEE-KRWDZBQOSA-N 0 0 400.494 4.054 40 0 HIABRN C[C@@H](C(=O)N1CC[C@@](Cc2cccc(-c3cccs3)c2)(C(N)=O)C1)c1ccccc1 ZINC000019458977 558892894 /nfs/dbraw/zinc/89/28/94/558892894.db2.gz HHBVNNJRSIHVII-CJAUYULYSA-N 0 0 418.562 4.465 40 0 HIABRN C[C@@H](NC(=O)C1CCN(c2ncnc3ccccc32)CC1)c1nc2ccccc2s1 ZINC000019459815 558893193 /nfs/dbraw/zinc/89/31/93/558893193.db2.gz HKNRBMNTVGRFJN-OAHLLOKOSA-N 0 0 417.538 4.333 40 0 HIABRN C[C@H]1C[C@H]1C(=O)N1CCc2nc(-c3ccncc3)nc(Oc3ccc(F)cc3)c2C1 ZINC000019495798 558894758 /nfs/dbraw/zinc/89/47/58/558894758.db2.gz RLXUBPIXXGDFBR-KBXCAEBGSA-N 0 0 404.445 4.011 40 0 HIABRN CCC(=O)N1CCC[C@@](Cc2ccc(-c3ccccc3F)cc2)(C(=O)NC2CC2)C1 ZINC000019498603 558897027 /nfs/dbraw/zinc/89/70/27/558897027.db2.gz QGHSFXCXTVNHBL-VWLOTQADSA-N 0 0 408.517 4.333 40 0 HIABRN CCC(CC)C(=O)N[C@H]1CCCc2nc(C3CCN(C(=O)C(C)(C)C)CC3)ncc21 ZINC000019500255 558898286 /nfs/dbraw/zinc/89/82/86/558898286.db2.gz LFQXKXLLISUREH-FQEVSTJZSA-N 0 0 414.594 4.159 40 0 HIABRN CC[C@H](NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CC1)N2)c1ccc(OC)cc1 ZINC000019500506 558898540 /nfs/dbraw/zinc/89/85/40/558898540.db2.gz UUELWZKUAYNFFQ-XYJFISCASA-N 0 0 422.451 4.470 40 0 HIABRN CCCC(=O)N1CCC[C@](Cc2ccccc2-c2cccnc2)(C(=O)NC(C)C)C1 ZINC000019501241 558899054 /nfs/dbraw/zinc/89/90/54/558899054.db2.gz OSVWMXLMZOXQOL-RUZDIDTESA-N 0 0 407.558 4.225 40 0 HIABRN CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)[C@@H](C)n3nccc3C)cc2N1 ZINC000019520670 558901821 /nfs/dbraw/zinc/90/18/21/558901821.db2.gz 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CCOC(=O)C1(Cc2cc(-c3cccc(C)c3)no2)CCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC000019530128 558911466 /nfs/dbraw/zinc/91/14/66/558911466.db2.gz BTMJIIURZIYQFK-YLJYHZDGSA-N 0 0 410.514 4.020 40 0 HIABRN CCOc1ncccc1C(=O)N1CCC[C@@H](c2cc(C(F)F)c3c(C)noc3n2)C1 ZINC000019531409 558911870 /nfs/dbraw/zinc/91/18/70/558911870.db2.gz SNMFJVPOXYWTJF-CYBMUJFWSA-N 0 0 416.428 4.282 40 0 HIABRN COc1cc2[nH]c(C(=O)N3CCC[C@H](c4cc5ncccc5[nH]4)C3)cc2c(OC)c1 ZINC000019550494 558915238 /nfs/dbraw/zinc/91/52/38/558915238.db2.gz NYEUWABXLCSALY-AWEZNQCLSA-N 0 0 404.470 4.081 40 0 HIABRN COc1ccc(-c2csc(NC(=O)[C@@H](C)Cn3nc(C)c(C)c3C)n2)cc1OC ZINC000019557008 558919210 /nfs/dbraw/zinc/91/92/10/558919210.db2.gz WROWPNZZCHCXNT-LBPRGKRZSA-N 0 0 414.531 4.224 40 0 HIABRN COc1ccc(C(=O)N2CCCC[C@H]2c2[nH]ncc2-c2onc(C)c2C)c(OC)c1 ZINC000019557882 558919835 /nfs/dbraw/zinc/91/98/35/558919835.db2.gz DFYQHWODQOSFPD-SFHVURJKSA-N 0 0 410.474 4.066 40 0 HIABRN COc1cccc(OC)c1C(=O)N1CCCC[C@@H]1c1[nH]ncc1-c1onc(C)c1C ZINC000019557873 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ZINC000072353891 558951146 /nfs/dbraw/zinc/95/11/46/558951146.db2.gz PMSIRKNFHZTIFQ-JOCHJYFZSA-N 0 0 415.603 4.055 40 0 HIABRN COc1ccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)c4cn(C)nc4C)C3)c2)cc1 ZINC000072353997 558951273 /nfs/dbraw/zinc/95/12/73/558951273.db2.gz HNJNPPTUFNRKRW-NRFANRHFSA-N 0 0 418.541 4.051 40 0 HIABRN Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)n1 ZINC000072354160 558951604 /nfs/dbraw/zinc/95/16/04/558951604.db2.gz HDOOUSKTEVDYTK-LJQANCHMSA-N 0 0 408.933 4.388 40 0 HIABRN Cc1cc(C)n(CCc2nnc(NC(=O)Cc3c(C)[nH]c4c3c(C)ccc4C)s2)n1 ZINC000019660792 558951991 /nfs/dbraw/zinc/95/19/91/558951991.db2.gz RPZJCAWYZGSHQK-UHFFFAOYSA-N 0 0 422.558 4.182 40 0 HIABRN COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)CCc2ccc(F)cc2)cc1 ZINC000072354934 558952134 /nfs/dbraw/zinc/95/21/34/558952134.db2.gz WWNMDPZEOZTQDW-NRFANRHFSA-N 0 0 420.488 4.170 40 0 HIABRN Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN2C(=O)CCc2ccc(F)cc2)n1 ZINC000072354932 558952236 /nfs/dbraw/zinc/95/22/36/558952236.db2.gz JISWECUJUTXIFD-FQEVSTJZSA-N 0 0 408.452 4.300 40 0 HIABRN O=C(NCc1ccc(F)cc1)c1cccc(-c2ccc(C[C@@H]3CCCNC3=O)cc2)c1 ZINC000072356276 558953031 /nfs/dbraw/zinc/95/30/31/558953031.db2.gz JBLZHDMPTGPBOG-QFIPXVFZSA-N 0 0 416.496 4.491 40 0 HIABRN O=S(=O)(c1ccc(F)cc1)N1CCC[C@H]1c1cccc(Cc2ccc(F)cc2)n1 ZINC000072357786 558953479 /nfs/dbraw/zinc/95/34/79/558953479.db2.gz MOVHGFGGWPYQFQ-QFIPXVFZSA-N 0 0 414.477 4.476 40 0 HIABRN COc1ccc(CC(=O)N2CCC[C@H](c3nccnc3-c3ccc(F)cc3)C2)cc1 ZINC000072358905 558954541 /nfs/dbraw/zinc/95/45/41/558954541.db2.gz GXOUVYCKIJPHOR-IBGZPJMESA-N 0 0 405.473 4.240 40 0 HIABRN COc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)c1 ZINC000072359124 558954719 /nfs/dbraw/zinc/95/47/19/558954719.db2.gz WZTFTSHPNBVFKO-SFHVURJKSA-N 0 0 421.472 4.076 40 0 HIABRN Cc1cc(C)n(Cc2cccc(CNC(=O)c3cc(-c4ccc(C)cc4)on3)c2)n1 ZINC000019665762 558955834 /nfs/dbraw/zinc/95/58/34/558955834.db2.gz DKYHFXGQVRVLLL-UHFFFAOYSA-N 0 0 400.482 4.442 40 0 HIABRN COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)c2cc(-c3cccc(F)c3)no2)cc1 ZINC000019666762 558956469 /nfs/dbraw/zinc/95/64/69/558956469.db2.gz KCPZBHNWEJZBAE-QFIPXVFZSA-N 0 0 418.428 4.000 40 0 HIABRN Clc1cccc(N2CCN(/C=C/c3nnnn3-c3ccc4ccccc4c3)CC2)c1 ZINC000019680989 558956610 /nfs/dbraw/zinc/95/66/10/558956610.db2.gz GKULRHDEIOZOQN-ZHACJKMWSA-N 0 0 416.916 4.262 40 0 HIABRN Cc1cnc(NC(=O)CN2CCC[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)s1 ZINC000019688225 558957737 /nfs/dbraw/zinc/95/77/37/558957737.db2.gz OEJYIUWIUVLCBN-IBGZPJMESA-N 0 0 424.545 4.395 40 0 HIABRN CCc1nc(C)c(C(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccccc2)o1 ZINC000019689883 558959385 /nfs/dbraw/zinc/95/93/85/558959385.db2.gz CCOPRONGHLMZLB-GOSISDBHSA-N 0 0 405.502 4.046 40 0 HIABRN Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN2Cc2cnc(N(C)C)nc2)n1 ZINC000072372454 558959962 /nfs/dbraw/zinc/95/99/62/558959962.db2.gz QHBBVIZLTCCXOA-QHCPKHFHSA-N 0 0 405.521 4.313 40 0 HIABRN Cc1ncsc1C(=O)N1CCC[C@@H]1c1cc(Nc2nc(C)cc(C)n2)cc(C)n1 ZINC000072372587 558960149 /nfs/dbraw/zinc/96/01/49/558960149.db2.gz QVHPCZOXAZGSQS-GOSISDBHSA-N 0 0 408.531 4.283 40 0 HIABRN Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCN3C(=O)CC3(O)CCCCC3)c2)n1 ZINC000072372669 558960415 /nfs/dbraw/zinc/96/04/15/558960415.db2.gz ZLOPOWDAILYPME-OAQYLSRUSA-N 0 0 423.561 4.289 40 0 HIABRN CCn1ncc(CN2CCCC[C@H]2c2nc(C)c3c(n2)N(CC2CC2)CCC3)c1C ZINC000072372859 558960693 /nfs/dbraw/zinc/96/06/93/558960693.db2.gz RNTMNAIYEXRBGY-QFIPXVFZSA-N 0 0 408.594 4.200 40 0 HIABRN Cc1cc(Cc2ccccc2Cl)cc(C2CCN(C(=O)c3cnccn3)CC2)n1 ZINC000019691641 558960815 /nfs/dbraw/zinc/96/08/15/558960815.db2.gz YWAQVMGDFSMALA-UHFFFAOYSA-N 0 0 406.917 4.444 40 0 HIABRN O=C(CN1CCC(c2ccc(Nc3ccccn3)cn2)CC1)Nc1ccc(F)cc1 ZINC000072374177 558961479 /nfs/dbraw/zinc/96/14/79/558961479.db2.gz RDNNKPHPBSIGKS-UHFFFAOYSA-N 0 0 405.477 4.177 40 0 HIABRN CN(C)c1ncc(-c2cccc(F)c2)c(C2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000019694169 558962383 /nfs/dbraw/zinc/96/23/83/558962383.db2.gz IGXHGGWTLPQIMG-UHFFFAOYSA-N 0 0 404.489 4.369 40 0 HIABRN Cc1nc(C)c(C(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)o1 ZINC000019694373 558962781 /nfs/dbraw/zinc/96/27/81/558962781.db2.gz AEQNLUVRBPADIY-IBGZPJMESA-N 0 0 423.492 4.321 40 0 HIABRN CC(=O)N1CCO[C@H](c2c3ccccc3sc2C(=O)NCC2CCCCC2)C1 ZINC000019696869 558964709 /nfs/dbraw/zinc/96/47/09/558964709.db2.gz KSKQXKFPCAQKEK-SFHVURJKSA-N 0 0 400.544 4.131 40 0 HIABRN Nc1ncc(-c2ccccc2F)c([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000072377039 558966328 /nfs/dbraw/zinc/96/63/28/558966328.db2.gz SHLRHABFPABEGJ-FQEVSTJZSA-N 0 0 408.452 4.300 40 0 HIABRN CCc1nnc2n1C[C@@H](c1ccc(NC(=O)Cc3ccc(OC)c(C)c3)cc1)CC2 ZINC000019699126 558966580 /nfs/dbraw/zinc/96/65/80/558966580.db2.gz MDMYGTNQGGQRMU-IBGZPJMESA-N 0 0 404.514 4.069 40 0 HIABRN CCc1ncc(CN2CCC([C@H]3CCCCN(Cc4ccccc4)C3=O)CC2)cn1 ZINC000019703362 558967532 /nfs/dbraw/zinc/96/75/32/558967532.db2.gz XRCIYVZAERODGL-HSZRJFAPSA-N 0 0 406.574 4.080 40 0 HIABRN Cc1ccc2[nH]c(C3CCN(C(=O)CC[C@@H]4c5ccccc5NC4=O)CC3)nc2c1 ZINC000019714405 558974111 /nfs/dbraw/zinc/97/41/11/558974111.db2.gz DWNUEYKIPNOXLB-GOSISDBHSA-N 0 0 402.498 4.093 40 0 HIABRN CCCc1ccc2[nH]c(=O)c(CNc3ccc(N4CCC[C@@H]4C(=O)OC)cc3)cc2c1 ZINC000072396109 558974978 /nfs/dbraw/zinc/97/49/78/558974978.db2.gz DCUGKCNGHQGTBO-HSZRJFAPSA-N 0 0 419.525 4.235 40 0 HIABRN CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)CC2CCCC2)C1 ZINC000072396035 558975069 /nfs/dbraw/zinc/97/50/69/558975069.db2.gz RGFWBEBYFKWXJZ-RUZDIDTESA-N 0 0 423.557 4.209 40 0 HIABRN COc1ccc2[nH]c(C(=O)N3CCC[C@@H](c4nc5ccccc5n4C)C3)c(C)c2c1 ZINC000019714851 558975147 /nfs/dbraw/zinc/97/51/47/558975147.db2.gz MLCLKMSXQNCSMK-MRXNPFEDSA-N 0 0 402.498 4.391 40 0 HIABRN Cc1ccc(N2C[C@H](C(=O)Nc3cc(-c4csnn4)ccc3C)CC2=O)c(C)c1 ZINC000019714999 558975595 /nfs/dbraw/zinc/97/55/95/558975595.db2.gz WIPFAPJODQBVTR-QGZVFWFLSA-N 0 0 406.511 4.122 40 0 HIABRN O=C(c1cccc(Nc2ncccn2)c1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000019716307 558977924 /nfs/dbraw/zinc/97/79/24/558977924.db2.gz PWWLCWOQXJXHBY-FQEVSTJZSA-N 0 0 416.481 4.359 40 0 HIABRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc(-c2ccccn2)nc2c(C)cccc12 ZINC000019716683 558978814 /nfs/dbraw/zinc/97/88/14/558978814.db2.gz IGOOBVLZLDXMBL-INIZCTEOSA-N 0 0 413.525 4.317 40 0 HIABRN Cc1c(-c2ccnc3cc(C(=O)N4CCC[C@@H]4c4cc(C)ccc4C)nn32)cnn1C ZINC000019719019 558982607 /nfs/dbraw/zinc/98/26/07/558982607.db2.gz GNCUGMLLRQUWIT-OAQYLSRUSA-N 0 0 414.513 4.032 40 0 HIABRN CCn1cc(-c2cc(C(=O)Nc3cccc(-c4cn5cccc(C)c5n4)c3)no2)cn1 ZINC000019719239 558983053 /nfs/dbraw/zinc/98/30/53/558983053.db2.gz ZJWUGLKSRNTLLL-UHFFFAOYSA-N 0 0 412.453 4.433 40 0 HIABRN Cc1ccc(-c2nnc([C@H]3CC[C@H](CNC(=O)c4cccc(F)c4F)CC3)o2)cn1 ZINC000257239579 558993271 /nfs/dbraw/zinc/99/32/71/558993271.db2.gz HPYPMCWVYVUWGU-SHTZXODSSA-N 0 0 412.440 4.422 40 0 HIABRN CC(C)c1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)c3ccn[nH]3)CC2)n1 ZINC000257287738 558999885 /nfs/dbraw/zinc/99/98/85/558999885.db2.gz PRHIDDZGRLZVGC-QAQDUYKDSA-N 0 0 404.518 4.089 40 0 HIABRN O=C1CC[C@@]2(CCCN(c3cc(C(F)(F)F)ncn3)CC2)N1Cc1ccc(F)cc1 ZINC000585100687 559024285 /nfs/dbraw/zinc/02/42/85/559024285.db2.gz SUFBYQDPXSFBTG-HXUWFJFHSA-N 0 0 422.426 4.186 40 0 HIABRN O=C(c1cc(Cl)ccc1F)N1CCC[C@]2(CCN2c2ncnc3ccccc32)C1 ZINC000585102368 559026129 /nfs/dbraw/zinc/02/61/29/559026129.db2.gz YKZKVQCGFCXOQK-QFIPXVFZSA-N 0 0 410.880 4.307 40 0 HIABRN CCC[C@H](NC(=O)CN1CCOCC1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000085565177 559057065 /nfs/dbraw/zinc/05/70/65/559057065.db2.gz NBCFBKHQMZQTCK-KENPWYROSA-N 0 0 410.602 4.444 40 0 HIABRN [NH3+][C@H](CCC(=O)[O-])[C@@H](C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC000095496384 559081378 /nfs/dbraw/zinc/08/13/78/559081378.db2.gz YJXZDXVHCSFKRY-NOZRDPDXSA-N 0 0 415.489 4.318 40 0 HIABRN O=C(Nc1cccnc1)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 ZINC000096037433 559091148 /nfs/dbraw/zinc/09/11/48/559091148.db2.gz VAWVUBNQXRYGHR-UHFFFAOYSA-N 0 0 408.465 4.433 40 0 HIABRN CCN(Cc1ccccc1)C(=O)c1cc(-c2cnc(N(C)C)nc2)cn1CC1CC1 ZINC000096037631 559091366 /nfs/dbraw/zinc/09/13/66/559091366.db2.gz VEYILHDYVIAHFU-UHFFFAOYSA-N 0 0 403.530 4.083 40 0 HIABRN Cc1occc1C(=O)N1CCC2(C[C@H](CC(=O)NC3CCC3)c3ccccc32)CC1 ZINC000096052771 559092384 /nfs/dbraw/zinc/09/23/84/559092384.db2.gz PVAFSBCJWCFETB-SFHVURJKSA-N 0 0 406.526 4.308 40 0 HIABRN CCc1cccc(NC(=O)N2C[C@H](C(=O)Nc3ccccc3)C3(C2)CCOCC3)c1 ZINC000096078706 559094707 /nfs/dbraw/zinc/09/47/07/559094707.db2.gz SONFXRIIMCTNBT-OAQYLSRUSA-N 0 0 407.514 4.148 40 0 HIABRN Cc1nc2nnc3ccc(C(=O)N(C)Cc4ccccn4)cc3c2n1C1CCCC1 ZINC000096146619 559098034 /nfs/dbraw/zinc/09/80/34/559098034.db2.gz SURKKUMDAOSEQF-UHFFFAOYSA-N 0 0 400.486 4.070 40 0 HIABRN Cc1cnc(CNC(=O)c2ccc3onc(-c4coc(-c5cccs5)n4)c3c2)cn1 ZINC000096154372 559098926 /nfs/dbraw/zinc/09/89/26/559098926.db2.gz ZLYOIUCXHJWWKG-UHFFFAOYSA-N 0 0 417.450 4.240 40 0 HIABRN Cc1nc(-c2nc(C(=O)N3CCCC3)c3ccccn32)cn1Cc1ccc(F)cc1F ZINC000096155199 559099479 /nfs/dbraw/zinc/09/94/79/559099479.db2.gz KKIYPLFCROKHRT-UHFFFAOYSA-N 0 0 421.451 4.069 40 0 HIABRN O=C(Cc1ccccc1)N1CCC(c2nc3ccc(-c4cccc(F)c4)cn3n2)CC1 ZINC000096155764 559099881 /nfs/dbraw/zinc/09/98/81/559099881.db2.gz OEAMCHJFGYWIIZ-UHFFFAOYSA-N 0 0 414.484 4.484 40 0 HIABRN Cc1ccccc1N1C[C@]2(CCN(C(=O)c3cccc(C(F)(F)F)c3)C2)CC1=O ZINC000096238608 559103405 /nfs/dbraw/zinc/10/34/05/559103405.db2.gz NTRAKXFPBOFNKQ-OAQYLSRUSA-N 0 0 402.416 4.283 40 0 HIABRN Cc1ccoc1C(=O)N1CCC2(C[C@@H](CC(=O)N3CCCC3)c3ccccc32)CC1 ZINC000096242090 559103775 /nfs/dbraw/zinc/10/37/75/559103775.db2.gz GWEBDZPBBHNGPE-LJQANCHMSA-N 0 0 406.526 4.262 40 0 HIABRN O=C(C[C@H]1CC2(CCN(C(=O)c3cccs3)CC2)c2ccccc21)N1CCCC1 ZINC000096242096 559103787 /nfs/dbraw/zinc/10/37/87/559103787.db2.gz HOCHBGRLMPXIDQ-SFHVURJKSA-N 0 0 408.567 4.422 40 0 HIABRN CCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)c3cccnc3)CC2)c2ccccc21 ZINC000096242333 559103978 /nfs/dbraw/zinc/10/39/78/559103978.db2.gz YPRPEHMVXQFVHI-HXUWFJFHSA-N 0 0 405.542 4.001 40 0 HIABRN Cc1ccsc1C(=O)N1CCC2(CC1)C[C@@H](CC(=O)N(C)C)c1ccccc1O2 ZINC000096242910 559104339 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O=C(c1ccc(F)cc1)N1CCC[C@H](c2cc3nc(C(F)(F)F)ccc3c(=O)[nH]2)C1 ZINC000019331962 558868724 /nfs/dbraw/zinc/86/87/24/558868724.db2.gz VQOAUAVMWCCDCT-ZDUSSCGKSA-N 0 0 419.378 4.101 40 0 HIABRN Fc1ccc(Nc2nc(-c3cccnc3)nc3c2CN(Cc2cccnc2)CC3)cc1 ZINC000019339417 558871192 /nfs/dbraw/zinc/87/11/92/558871192.db2.gz OFNWTLBVFKEYMB-UHFFFAOYSA-N 0 0 412.472 4.375 40 0 HIABRN O=C(CCCc1nc(-c2cccnc2)no1)Nc1ccc(N2CCCCC2)c(F)c1 ZINC000019341110 558871872 /nfs/dbraw/zinc/87/18/72/558871872.db2.gz UQTGMRZFKKKBTD-UHFFFAOYSA-N 0 0 409.465 4.222 40 0 HIABRN NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000019348422 558874377 /nfs/dbraw/zinc/87/43/77/558874377.db2.gz IPIJPZZBFMISME-XMMPIXPASA-N 0 0 422.525 4.043 40 0 HIABRN O[C@H](c1ccccn1)c1cccc(F)c1N1CCN(Cc2ccccc2Cl)CC1 ZINC000019349173 558874815 /nfs/dbraw/zinc/87/48/15/558874815.db2.gz SNLVKLYDPKEMJB-QHCPKHFHSA-N 0 0 411.908 4.278 40 0 HIABRN NC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)Cc2ccccc2)C1 ZINC000019370158 558878436 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568539247 /nfs/dbraw/zinc/53/92/47/568539247.db2.gz VJHUCAPPNHRGFH-HZPDHXFCSA-N 0 0 404.913 4.354 40 0 HIABRN CCCCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000223179547 568540235 /nfs/dbraw/zinc/54/02/35/568540235.db2.gz JRYKIXQCHHWZPI-UHFFFAOYSA-N 0 0 406.573 4.010 40 0 HIABRN CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 ZINC000223225919 568541552 /nfs/dbraw/zinc/54/15/52/568541552.db2.gz OPPAVVZAYMYAIA-RUZDIDTESA-N 0 0 414.549 4.314 40 0 HIABRN Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)cc1 ZINC000223266447 568543245 /nfs/dbraw/zinc/54/32/45/568543245.db2.gz RVVSXDBJWIISCG-GOSISDBHSA-N 0 0 420.534 4.065 40 0 HIABRN CCCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CC ZINC000223265604 568543357 /nfs/dbraw/zinc/54/33/57/568543357.db2.gz UTEOCYSIWSQYIB-QHCPKHFHSA-N 0 0 410.558 4.352 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223266963 568543415 /nfs/dbraw/zinc/54/34/15/568543415.db2.gz UAANPXKPFSJVCU-INIZCTEOSA-N 0 0 404.913 4.355 40 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568546425 /nfs/dbraw/zinc/54/64/25/568546425.db2.gz JGXHMGAVQJLDBO-VXKWHMMOSA-N 0 0 415.522 4.092 40 0 HIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 ZINC000223360165 568546441 /nfs/dbraw/zinc/54/64/41/568546441.db2.gz YVVXTNLVVNUJOW-HXUWFJFHSA-N 0 0 416.949 4.441 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223400493 568547551 /nfs/dbraw/zinc/54/75/51/568547551.db2.gz MLUYTDVCAGPBDL-QHCPKHFHSA-N 0 0 424.585 4.479 40 0 HIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1C ZINC000223404716 568547632 /nfs/dbraw/zinc/54/76/32/568547632.db2.gz JIZNBDKGEXUYGT-FQEVSTJZSA-N 0 0 414.521 4.235 40 0 HIABRN Cc1ccc([C@@H](C)N2CCN(S(=O)(=O)c3ccc(C)c(Cl)c3)CC2)cc1C ZINC000026417032 568547775 /nfs/dbraw/zinc/54/77/75/568547775.db2.gz WDURBHVIXZMZRK-GOSISDBHSA-N 0 0 406.979 4.333 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000223419489 568548353 /nfs/dbraw/zinc/54/83/53/568548353.db2.gz LVLNODXONRXBFU-NRFANRHFSA-N 0 0 414.571 4.039 40 0 HIABRN COc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NCC(C)C)cc1 ZINC000223426124 568548603 /nfs/dbraw/zinc/54/86/03/568548603.db2.gz PPDRWJPMPACNJB-UHFFFAOYSA-N 0 0 420.531 4.129 40 0 HIABRN CCCCNc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(OC)cc1 ZINC000223426046 568548647 /nfs/dbraw/zinc/54/86/47/568548647.db2.gz IPQOPEQHOAMOIQ-UHFFFAOYSA-N 0 0 420.531 4.273 40 0 HIABRN COc1ccc(/C=C/C(=O)NCCOc2ccc(C(C)(C)C)cc2)c(OC)c1OC ZINC000223452167 568549292 /nfs/dbraw/zinc/54/92/92/568549292.db2.gz STSCNLDDERLXFS-RIYZIHGNSA-N 0 0 413.514 4.218 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CCc1cccc2ccccc21 ZINC000223456069 568549390 /nfs/dbraw/zinc/54/93/90/568549390.db2.gz GZCDFMADJWXJCY-DEOSSOPVSA-N 0 0 418.537 4.334 40 0 HIABRN Cc1cc(C)c([C@@H](C)NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cc1C ZINC000223456686 568549392 /nfs/dbraw/zinc/54/93/92/568549392.db2.gz YZBXIEMXJLPVCG-LJQANCHMSA-N 0 0 416.587 4.379 40 0 HIABRN Cc1ccc(N(CCCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)S(C)(=O)=O)cc1 ZINC000223473676 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4.048 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccccc2)N1Cc1ccccn1 ZINC000223545376 568551383 /nfs/dbraw/zinc/55/13/83/568551383.db2.gz VRKPNNXNKMXEEH-PKTZIBPZSA-N 0 0 411.534 4.440 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C)c(C)c1 ZINC000223544980 568551405 /nfs/dbraw/zinc/55/14/05/568551405.db2.gz NMHBKMAQEWCDGM-OAQYLSRUSA-N 0 0 410.558 4.058 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1cccc(Cl)c1 ZINC000223560051 568551685 /nfs/dbraw/zinc/55/16/85/568551685.db2.gz QDMIXGORJSSRHF-GOSISDBHSA-N 0 0 400.950 4.259 40 0 HIABRN CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc4ccccc4c3)n2)cc1 ZINC000223592586 568552583 /nfs/dbraw/zinc/55/25/83/568552583.db2.gz MUNGZVZLOQYYID-UHFFFAOYSA-N 0 0 423.494 4.109 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223592258 568552627 /nfs/dbraw/zinc/55/26/27/568552627.db2.gz YRIOONLJDZOIIC-OAHLLOKOSA-N 0 0 407.341 4.398 40 0 HIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1Cl ZINC000223594690 568552714 /nfs/dbraw/zinc/55/27/14/568552714.db2.gz LQYLFQXQROQGNI-FQEVSTJZSA-N 0 0 416.949 4.443 40 0 HIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1cccc(C)c1C ZINC000223605558 568553102 /nfs/dbraw/zinc/55/31/02/568553102.db2.gz NOVXYRQXKMSZIR-JOCHJYFZSA-N 0 0 410.558 4.406 40 0 HIABRN CC(C)(C)c1ccc(-c2noc(CNS(=O)(=O)Cc3cccc(Cl)c3)n2)cc1 ZINC000223628412 568554004 /nfs/dbraw/zinc/55/40/04/568554004.db2.gz FHADGVWLCHEHQJ-UHFFFAOYSA-N 0 0 419.934 4.307 40 0 HIABRN OCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000223630554 568554093 /nfs/dbraw/zinc/55/40/93/568554093.db2.gz HLWHMMUTJXFHFC-VQTJNVASSA-N 0 0 413.930 4.350 40 0 HIABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCCO ZINC000223636033 568554326 /nfs/dbraw/zinc/55/43/26/568554326.db2.gz NTVQUIHPBBPALC-GOTSBHOMSA-N 0 0 420.582 4.152 40 0 HIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccccc1F ZINC000223652521 568555014 /nfs/dbraw/zinc/55/50/14/568555014.db2.gz LCODQDFRGROGDZ-OAQYLSRUSA-N 0 0 414.521 4.237 40 0 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519742602 /nfs/dbraw/zinc/74/26/02/519742602.db2.gz PWMUKEICTDNLBO-HDICACEKSA-N 0 0 418.655 4.282 40 0 HIABRN CC(=O)Nc1ncc(-c2cccc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)s1 ZINC000072382902 519753428 /nfs/dbraw/zinc/75/34/28/519753428.db2.gz QHFFIEXNVMVWRT-AWEZNQCLSA-N 0 0 402.520 4.278 40 0 HIABRN CC(C)c1ccc(-c2noc(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)n2)cc1 ZINC000225836497 519833963 /nfs/dbraw/zinc/83/39/63/519833963.db2.gz AZYTYEXWZVGELV-UHFFFAOYSA-N 0 0 422.504 4.281 40 0 HIABRN CCN(CC(=O)Nc1ccc(Cl)cc1Cl)S(=O)(=O)c1cc(C)ccc1C ZINC000225933668 520359885 /nfs/dbraw/zinc/35/98/85/520359885.db2.gz LFNYIUUXCPBSGS-UHFFFAOYSA-N 0 0 415.342 4.260 40 0 HIABRN CCOc1ccc(CCCNC(=O)[C@H](CC)Oc2cccc(OC)c2)cc1OC ZINC000044845211 520946625 /nfs/dbraw/zinc/94/66/25/520946625.db2.gz OYOANTCGDZQBBU-FQEVSTJZSA-N 0 0 401.503 4.009 40 0 HIABRN CCOc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000020107603 521255919 /nfs/dbraw/zinc/25/59/19/521255919.db2.gz JBBOPEIWUOISOU-KRWDZBQOSA-N 0 0 424.522 4.377 40 0 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40 0 HIABRN COc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)c1 ZINC000072359196 525729071 /nfs/dbraw/zinc/72/90/71/525729071.db2.gz AFIUSBGRTUKFLH-FQEVSTJZSA-N 0 0 417.509 4.327 40 0 HIABRN Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)c3cccs3)CC2)on1 ZINC000019123102 526046527 /nfs/dbraw/zinc/04/65/27/526046527.db2.gz XQYBAWIXNQJHCA-UHFFFAOYSA-N 0 0 409.515 4.096 40 0 HIABRN Cc1cc(C(=O)N2CCC3(C[C@@]4(CO3)Nc3ccccc3-n3cccc34)CC2)c(C)[nH]1 ZINC000072327261 526242279 /nfs/dbraw/zinc/24/22/79/526242279.db2.gz VGCINFUPTWAOBQ-VWLOTQADSA-N 0 0 416.525 4.138 40 0 HIABRN O=C(NCc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044880727 526674015 /nfs/dbraw/zinc/67/40/15/526674015.db2.gz INLBKNSRULZZSZ-UHFFFAOYSA-N 0 0 418.877 4.210 40 0 HIABRN O=C1CCCN1Cc1ccccc1CNC(=S)Nc1cccc(Br)c1 ZINC000045704146 526978446 /nfs/dbraw/zinc/97/84/46/526978446.db2.gz VCCAXTJMAIHSNH-UHFFFAOYSA-N 0 0 418.360 4.058 40 0 HIABRN O=C1C[C@@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Br)cc1 ZINC000036635843 527021536 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CCC1=NN(C(=O)CCc2ccccc2)[C@@](O)(c2ccc(Br)cc2)C1 ZINC000000799714 557084332 /nfs/dbraw/zinc/08/43/32/557084332.db2.gz XCBHYFNIAQCLLN-FQEVSTJZSA-N 0 0 401.304 4.225 40 0 HIABRN COc1ccc(N2C[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)cc1 ZINC000000806762 557086570 /nfs/dbraw/zinc/08/65/70/557086570.db2.gz PGJAJYWRHPUPJO-LLVKDONJSA-N 0 0 412.795 4.359 40 0 HIABRN CCC(=O)Oc1c(OC)cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1OC ZINC000000822876 557092874 /nfs/dbraw/zinc/09/28/74/557092874.db2.gz RKJAUXCFYRTSIQ-DHDCSXOGSA-N 0 0 415.829 4.017 40 0 HIABRN Cc1ccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000000829935 557095117 /nfs/dbraw/zinc/09/51/17/557095117.db2.gz IEBUYABINWYDEG-UHFFFAOYSA-N 0 0 414.914 4.482 40 0 HIABRN CCc1ccc(OCC(=O)Nc2ccc(I)cc2CC)cc1 ZINC000001266866 557252861 /nfs/dbraw/zinc/25/28/61/557252861.db2.gz MAJZBERQGCEJJV-UHFFFAOYSA-N 0 0 409.267 4.434 40 0 HIABRN COC(=O)CSc1nnc(CSc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000001588664 557274819 /nfs/dbraw/zinc/27/48/19/557274819.db2.gz 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ZINC000019528458 558909629 /nfs/dbraw/zinc/90/96/29/558909629.db2.gz CKPZZCFODRTLGO-AREMUKBSSA-N 0 0 419.569 4.226 40 0 HIABRN CCOc1ccc(CC(=O)N2CCCC[C@@H]2c2n[nH]cc2-c2ccncc2C)cc1 ZINC000019532951 558912818 /nfs/dbraw/zinc/91/28/18/558912818.db2.gz IHJSETNECIEDGX-JOCHJYFZSA-N 0 0 404.514 4.475 40 0 HIABRN COc1cc2c(cc1OC)[C@@H](c1ccc(F)c(F)c1)N[C@@H](c1cccnc1OC)C2 ZINC000019550791 558915408 /nfs/dbraw/zinc/91/54/08/558915408.db2.gz XLCORBKFCKNTTR-DENIHFKCSA-N 0 0 412.436 4.362 40 0 HIABRN COc1ccc(CN(Cc2cnc(-c3ccc(OC)cc3)nc2)C[C@H]2CCCO2)cc1 ZINC000019554846 558917676 /nfs/dbraw/zinc/91/76/76/558917676.db2.gz UOMUVSOGXTYNNX-XMMPIXPASA-N 0 0 419.525 4.342 40 0 HIABRN COc1ccc(NC(=O)c2cc(C3CCN(C(=O)c4ccccc4F)CC3)no2)cc1 ZINC000019556675 558919113 /nfs/dbraw/zinc/91/91/13/558919113.db2.gz ACASPRAYELOBHU-UHFFFAOYSA-N 0 0 423.444 4.094 40 0 HIABRN COc1ccc(-c2n[nH]cc2C(=O)N2CCC(c3noc4cc(F)ccc43)CC2)cc1 ZINC000019557832 558919790 /nfs/dbraw/zinc/91/97/90/558919790.db2.gz FRIQOMCETJHYMW-UHFFFAOYSA-N 0 0 420.444 4.385 40 0 HIABRN Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)c2ccccc2F)c1C ZINC000019558347 558920120 /nfs/dbraw/zinc/92/01/20/558920120.db2.gz DNBYFAWHPDPHIA-LJQANCHMSA-N 0 0 423.492 4.321 40 0 HIABRN COc1ccc(-c2ccc(CN(CCN3CCOCC3)Cc3cccnc3)cc2)cc1 ZINC000019558357 558920136 /nfs/dbraw/zinc/92/01/36/558920136.db2.gz JXQBOJSPKGXIBE-UHFFFAOYSA-N 0 0 417.553 4.092 40 0 HIABRN Cc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C(=O)CCc2ccccc2)c1C ZINC000019558405 558920162 /nfs/dbraw/zinc/92/01/62/558920162.db2.gz YQJPOGIHHZCLQZ-FQEVSTJZSA-N 0 0 419.529 4.111 40 0 HIABRN Cc1noc(-c2cnc(C)nc2[C@@H]2CCCN2C(=O)c2ccc(N(C)C)cc2)c1C ZINC000019558494 558920316 /nfs/dbraw/zinc/92/03/16/558920316.db2.gz MCFQWSDKTIOQDN-FQEVSTJZSA-N 0 0 405.502 4.100 40 0 HIABRN Cc1nc(C)c(CC(=O)N[C@@H](Cc2ccccc2)c2ccc3c(c2)OCCO3)s1 ZINC000019560465 558921471 /nfs/dbraw/zinc/92/14/71/558921471.db2.gz AWDDUJIZCXJOFG-IBGZPJMESA-N 0 0 408.523 4.174 40 0 HIABRN Cc1nc(C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)sc1-c1ccncn1 ZINC000019560702 558921717 /nfs/dbraw/zinc/92/17/17/558921717.db2.gz ZZJXUAMVVIDORY-UHFFFAOYSA-N 0 0 400.454 4.207 40 0 HIABRN Cc1ncsc1-c1nnc([C@@H]2CCCCN2S(=O)(=O)c2cccc(Cl)c2)o1 ZINC000019562717 558923391 /nfs/dbraw/zinc/92/33/91/558923391.db2.gz MIBKOSXNORHENR-AWEZNQCLSA-N 0 0 424.935 4.071 40 0 HIABRN Cc1noc2nc(C3CCN(C(=O)c4cc(C(C)C)n[nH]4)CC3)cc(C(F)(F)F)c12 ZINC000019564853 558924887 /nfs/dbraw/zinc/92/48/87/558924887.db2.gz QUWBXNUQPXVEMG-UHFFFAOYSA-N 0 0 421.423 4.416 40 0 HIABRN Cc1nn(-c2ccccc2)c2nc3c(cc12)CN(C[C@H]1Cc2ccccc2O1)C(=O)O3 ZINC000019565706 558925723 /nfs/dbraw/zinc/92/57/23/558925723.db2.gz QCLJHAJIYDQGKW-LJQANCHMSA-N 0 0 412.449 4.047 40 0 HIABRN Cc1c2ccccc2oc1C(=O)N[C@@H](c1cc(=O)[nH]c(-c2ccccn2)n1)C(C)C ZINC000019566264 558926050 /nfs/dbraw/zinc/92/60/50/558926050.db2.gz YVEYPFGKIZPBPW-HXUWFJFHSA-N 0 0 402.454 4.014 40 0 HIABRN Cc1cc(=O)n(CCC(=O)Nc2ccccc2OC[C@H]2CCCCO2)c2ccccc12 ZINC000019566567 558926134 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KHQSAOAKHCZDHV-UHFFFAOYSA-N 0 0 411.552 4.313 40 0 HIABRN C[C@H]1CCc2c(sc3ncnc(SCC(=O)Nc4ccc5c(c4)OCO5)c32)C1 ZINC000000881304 560539866 /nfs/dbraw/zinc/53/98/66/560539866.db2.gz OJVUPMRZXFBTRH-NSHDSACASA-N 0 0 413.524 4.276 40 0 HIABRN Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCCCCC3)cc2c1 ZINC000000888962 560542245 /nfs/dbraw/zinc/54/22/45/560542245.db2.gz VZALVFWVDJQQKC-QFIPXVFZSA-N 0 0 420.561 4.294 40 0 HIABRN CC(=O)c1cccc(NC(=O)CSc2nnc3c(C)cc4ccc(C)cc4n23)c1 ZINC000000903043 560544713 /nfs/dbraw/zinc/54/47/13/560544713.db2.gz VSPNLBHDWIQUMN-UHFFFAOYSA-N 0 0 404.495 4.433 40 0 HIABRN Cc1cc2cc([C@H](c3nnnn3C3CCCCC3)N3CCCCC3)c(=O)[nH]c2cc1C ZINC000000910513 560546241 /nfs/dbraw/zinc/54/62/41/560546241.db2.gz XWNJJGJLHIQVNR-JOCHJYFZSA-N 0 0 420.561 4.212 40 0 HIABRN O=C(N1Cc2cccn2C[C@H](OCc2ccccn2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000575405841 560547406 /nfs/dbraw/zinc/54/74/06/560547406.db2.gz UMOYKWBDURQTRR-SBTPEUDISA-N 0 0 405.542 4.027 40 0 HIABRN 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HIABRN Cc1ccc(C(=O)Nc2c(F)cccc2F)cc1S(=O)(=O)Nc1ccccc1 ZINC000409410930 560721463 /nfs/dbraw/zinc/72/14/63/560721463.db2.gz ARDAAKMPZJDEKJ-UHFFFAOYSA-N 0 0 402.422 4.326 40 0 HIABRN O=C(Nc1nc2ccccc2s1)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000100580263 560725254 /nfs/dbraw/zinc/72/52/54/560725254.db2.gz YWXSZALMEVSQAW-HZPDHXFCSA-N 0 0 403.463 4.004 40 0 HIABRN C[C@H](CCc1ccccc1)NC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000101694033 560729291 /nfs/dbraw/zinc/72/92/91/560729291.db2.gz VLVFZBDRZUBGBZ-FCEUIQTBSA-N 0 0 417.553 4.340 40 0 HIABRN C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000101694036 560729296 /nfs/dbraw/zinc/72/92/96/560729296.db2.gz VLVFZBDRZUBGBZ-ILWGZMRPSA-N 0 0 417.553 4.340 40 0 HIABRN C[C@H]1CCc2c(sc(NC(=O)COc3ccc(C(C)(C)C)cc3)c2C(N)=O)C1 ZINC000001940116 560729963 /nfs/dbraw/zinc/72/99/63/560729963.db2.gz SWFUAWFOUZENCU-ZDUSSCGKSA-N 0 0 400.544 4.287 40 0 HIABRN CCC[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000102701752 560732057 /nfs/dbraw/zinc/73/20/57/560732057.db2.gz BGOFGNTZSGJLKH-RCCFBDPRSA-N 0 0 405.281 4.472 40 0 HIABRN Cc1c(Cl)cccc1-n1c(O)c2c(-c3ccccc3)nn(-c3ccccc3)c2c1O ZINC000103769141 560734678 /nfs/dbraw/zinc/73/46/78/560734678.db2.gz XIQCJYKEDDRRLD-RBBKRZOGSA-N 0 0 415.880 4.431 40 0 HIABRN Cc1c(Cl)cccc1NCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O ZINC000004526309 560735760 /nfs/dbraw/zinc/73/57/60/560735760.db2.gz QLVBJMUABZAOJE-CAOOACKPSA-N 0 0 402.859 4.483 40 0 HIABRN Cc1cccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1C ZINC000005200024 560737137 /nfs/dbraw/zinc/73/71/37/560737137.db2.gz BQKNHISPPNJNND-UHFFFAOYSA-N 0 0 408.420 4.176 40 0 HIABRN COc1cc(NC(=S)NC(=O)c2ccccc2Cl)ccc1NC(=O)C(C)C ZINC000005944614 560739092 /nfs/dbraw/zinc/73/90/92/560739092.db2.gz FLDMWMKTARKURG-UHFFFAOYSA-N 0 0 405.907 4.070 40 0 HIABRN Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(C)c1 ZINC000006203545 560740260 /nfs/dbraw/zinc/74/02/60/560740260.db2.gz LFFYARJCYMIGAX-UHFFFAOYSA-N 0 0 422.550 4.496 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COc1ccc(-c2nnc(SCCCOc3ccc(C=O)cc3OC)o2)cc1 ZINC000008731652 560755882 /nfs/dbraw/zinc/75/58/82/560755882.db2.gz ABUXPZAHTBTUKA-UHFFFAOYSA-N 0 0 400.456 4.128 40 0 HIABRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1F)c1ccccc1F ZINC000008810666 560756450 /nfs/dbraw/zinc/75/64/50/560756450.db2.gz OZMJFWQKCLGGKP-UHFFFAOYSA-N 0 0 406.385 4.157 40 0 HIABRN Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)c1 ZINC000008810816 560756497 /nfs/dbraw/zinc/75/64/97/560756497.db2.gz LPBKBSHPKLDZKE-UHFFFAOYSA-N 0 0 402.422 4.326 40 0 HIABRN O=C(Nc1nc2ccc(NC(=S)NC(=O)c3ccccc3)cc2s1)c1ccco1 ZINC000008902826 560756894 /nfs/dbraw/zinc/75/68/94/560756894.db2.gz FVPDJVUGHJJWLF-UHFFFAOYSA-N 0 0 422.491 4.268 40 0 HIABRN CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Br)c1OCC ZINC000009236563 560758067 /nfs/dbraw/zinc/75/80/67/560758067.db2.gz HUQATBJBSUNBDK-UKTHLTGXSA-N 0 0 400.294 4.303 40 0 HIABRN Cc1cc(C)c2nc(Nc3nc(CSc4ccccn4)cc(=O)[nH]3)nc(C)c2c1 ZINC000009939039 560760791 /nfs/dbraw/zinc/76/07/91/560760791.db2.gz KUSMEIZJQPGYAL-UHFFFAOYSA-N 0 0 404.499 4.069 40 0 HIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1 ZINC000010112436 560764039 /nfs/dbraw/zinc/76/40/39/560764039.db2.gz ZNILAIHWQHFCEP-UHFFFAOYSA-N 0 0 406.507 4.389 40 0 HIABRN CC[C@@H](C)Oc1cccc(C(=O)Nc2cc(-c3nn4cnnc4s3)ccc2OC)c1 ZINC000010119954 560764398 /nfs/dbraw/zinc/76/43/98/560764398.db2.gz UEFSSMAWOADGCC-CYBMUJFWSA-N 0 0 423.498 4.291 40 0 HIABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccc(Cl)cc3)c2)cc1 ZINC000010315104 560767526 /nfs/dbraw/zinc/76/75/26/560767526.db2.gz ZBVSRZRENGCCJX-UHFFFAOYSA-N 0 0 414.914 4.379 40 0 HIABRN COc1ccc(N([C@H](C)C(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)cc1Cl ZINC000010337819 560767768 /nfs/dbraw/zinc/76/77/68/560767768.db2.gz CZBMRGGSCKMGPV-CQSZACIVSA-N 0 0 424.950 4.265 40 0 HIABRN O=C(Cn1c2ccccc2c(=O)n(-c2ccccc2)c1=O)c1ccc2ccccc2c1 ZINC000010338754 560768065 /nfs/dbraw/zinc/76/80/65/560768065.db2.gz NXLQXXKJDJMEIH-UHFFFAOYSA-N 0 0 406.441 4.189 40 0 HIABRN COc1cc([C@H]2Cc3c(cnn3-c3ccc(Cl)cc3)C(=O)C2)cc(OC)c1OC ZINC000010338869 560768295 /nfs/dbraw/zinc/76/82/95/560768295.db2.gz CMBAHLXRFXQEMW-ZDUSSCGKSA-N 0 0 412.873 4.464 40 0 HIABRN COc1cc([C@@H]2Cc3c(cnn3-c3ccc(Cl)cc3)C(=O)C2)cc(OC)c1OC ZINC000010338868 560768304 /nfs/dbraw/zinc/76/83/04/560768304.db2.gz CMBAHLXRFXQEMW-CYBMUJFWSA-N 0 0 412.873 4.464 40 0 HIABRN Cc1cccc(NC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)c1 ZINC000010434028 560768895 /nfs/dbraw/zinc/76/88/95/560768895.db2.gz UUOQAXUFHORTIP-UHFFFAOYSA-N 0 0 412.486 4.353 40 0 HIABRN CCCNC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 ZINC000011023461 560771042 /nfs/dbraw/zinc/77/10/42/560771042.db2.gz JKVKIWBNKVFSGL-UHFFFAOYSA-N 0 0 400.935 4.130 40 0 HIABRN COc1ccc(OC)c2c1[C@@H](c1cccc(NS(C)(=O)=O)c1)O[C@@H]1CCCC[C@@H]21 ZINC000012420199 560780535 /nfs/dbraw/zinc/78/05/35/560780535.db2.gz KYCRTVRZTWBSCP-DRSNIGMVSA-N 0 0 417.527 4.221 40 0 HIABRN O=C(NC1CCCC1)[C@H](c1ccccc1)N(C(=O)c1csnn1)c1cccc(F)c1 ZINC000012637467 560783323 /nfs/dbraw/zinc/78/33/23/560783323.db2.gz HDYNGYIALMUNPH-FQEVSTJZSA-N 0 0 424.501 4.124 40 0 HIABRN Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)N3CCC[C@H](C)C3)ccc2C)cc1 ZINC000260565683 560794986 /nfs/dbraw/zinc/79/49/86/560794986.db2.gz SDYYQWTWMTZPTE-KRWDZBQOSA-N 0 0 400.544 4.001 40 0 HIABRN COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000113940391 560806640 /nfs/dbraw/zinc/80/66/40/560806640.db2.gz CTLGSACUBRJWKS-CQSZACIVSA-N 0 0 424.950 4.265 40 0 HIABRN Cc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)c1 ZINC000113943529 560806848 /nfs/dbraw/zinc/80/68/48/560806848.db2.gz VIIROTWXLWHCIR-UHFFFAOYSA-N 0 0 400.544 4.285 40 0 HIABRN CCN(c1ccc(OCC(=O)Nc2ccccc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000013585275 560815335 /nfs/dbraw/zinc/81/53/35/560815335.db2.gz SZJURQKYTPPUPS-UHFFFAOYSA-N 0 0 424.522 4.228 40 0 HIABRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2C)cc1 ZINC000013871407 560829124 /nfs/dbraw/zinc/82/91/24/560829124.db2.gz YCRVGRLIADNIOT-IAGOWNOFSA-N 0 0 424.570 4.487 40 0 HIABRN CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccccc1F ZINC000013841870 560830011 /nfs/dbraw/zinc/83/00/11/560830011.db2.gz OEGLCLDONRNBEV-UHFFFAOYSA-N 0 0 420.897 4.400 40 0 HIABRN CC(C)OCCCN(Cc1ccncc1)Cc1cc2c(cc1Br)OCO2 ZINC000013989552 560831487 /nfs/dbraw/zinc/83/14/87/560831487.db2.gz SLASXAOKPPMBPE-UHFFFAOYSA-N 0 0 421.335 4.390 40 0 HIABRN COC(=O)c1cccc(NC(=O)CSc2nc(C)cc(-c3ccc(C)cc3)n2)c1 ZINC000014152927 560839011 /nfs/dbraw/zinc/83/90/11/560839011.db2.gz KRCWRSJZCIVAMM-UHFFFAOYSA-N 0 0 407.495 4.278 40 0 HIABRN COCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000014399885 560842226 /nfs/dbraw/zinc/84/22/26/560842226.db2.gz BRTXBOKSLOONBB-KRWDZBQOSA-N 0 0 412.530 4.156 40 0 HIABRN Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000014404605 560845411 /nfs/dbraw/zinc/84/54/11/560845411.db2.gz CDWNATOTKSQWKD-UHFFFAOYSA-N 0 0 413.275 4.294 40 0 HIABRN Cc1ccc(C(O)=C2[C@@H](c3ccc(C(C)C)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000169680922 560854335 /nfs/dbraw/zinc/85/43/35/560854335.db2.gz KVKVUGPPNZNELY-OPYAIIAOSA-N 0 0 420.431 4.222 40 0 HIABRN Cc1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC2CCCCC2)c2ccco2)cc1 ZINC000015936024 560857540 /nfs/dbraw/zinc/85/75/40/560857540.db2.gz PCSDKDGBLDDLHD-FQEVSTJZSA-N 0 0 424.526 4.277 40 0 HIABRN COc1ccc(NC(=O)c2cc(Br)ccc2OC)cc1Br ZINC000016226809 560859601 /nfs/dbraw/zinc/85/96/01/560859601.db2.gz CFINMGVJZQKIRG-UHFFFAOYSA-N 0 0 415.081 4.481 40 0 HIABRN COc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccccc3C)C2=O)cc1 ZINC000101204274 560860350 /nfs/dbraw/zinc/86/03/50/560860350.db2.gz FSJBFYBIIHAIFO-ZLNRFVROSA-N 0 0 414.461 4.055 40 0 HIABRN O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccc(Br)cc1 ZINC000017082136 560862038 /nfs/dbraw/zinc/86/20/38/560862038.db2.gz RCICLDWDVOHPMC-UHFFFAOYSA-N 0 0 401.285 4.435 40 0 HIABRN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000017091431 560866221 /nfs/dbraw/zinc/86/62/21/560866221.db2.gz BQONPVSSUWNCOH-UHFFFAOYSA-N 0 0 418.478 4.334 40 0 HIABRN 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HIABRN CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(OC)cc1 ZINC000222610584 568520517 /nfs/dbraw/zinc/52/05/17/568520517.db2.gz XKMDKGTWFAHAEI-CVDCTZTESA-N 0 0 410.558 4.002 40 0 HIABRN Cc1ccc([C@@H](C)NC(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)cc1C ZINC000222637516 568521810 /nfs/dbraw/zinc/52/18/10/568521810.db2.gz IZLRTMNIKLBPAY-HXUWFJFHSA-N 0 0 416.587 4.344 40 0 HIABRN Cc1cc(C)c(C)c(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222663822 568522727 /nfs/dbraw/zinc/52/27/27/568522727.db2.gz CZGMLUZFMYMXKO-HXUWFJFHSA-N 0 0 410.558 4.323 40 0 HIABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C)cc1 ZINC000222664987 568522729 /nfs/dbraw/zinc/52/27/29/568522729.db2.gz GYWJKAFBUUQYFL-HNNXBMFYSA-N 0 0 407.341 4.398 40 0 HIABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(Cl)cc1 ZINC000222664844 568522808 /nfs/dbraw/zinc/52/28/08/568522808.db2.gz VWAZPXFKYNSJFP-LBPRGKRZSA-N 0 0 413.732 4.353 40 0 HIABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1cccc(Cl)c1 ZINC000222672107 568523133 /nfs/dbraw/zinc/52/31/33/568523133.db2.gz ZDRORNJNVHRCSV-INIZCTEOSA-N 0 0 402.922 4.051 40 0 HIABRN Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N(C)c3ccccc3)cc2)cc1C ZINC000222681757 568523579 /nfs/dbraw/zinc/52/35/79/568523579.db2.gz QHWRMNQCNJSHKH-UHFFFAOYSA-N 0 0 424.522 4.146 40 0 HIABRN CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000222730378 568524956 /nfs/dbraw/zinc/52/49/56/568524956.db2.gz ZDVWCMDHXLDTJB-OAHLLOKOSA-N 0 0 407.341 4.316 40 0 HIABRN Cc1cccc(CN(C(=O)COc2cccc(C)c2C)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222746084 568525442 /nfs/dbraw/zinc/52/54/42/568525442.db2.gz WOAQUHKTTLZFQN-HXUWFJFHSA-N 0 0 410.558 4.323 40 0 HIABRN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)COc1cccc2c1CCCC2 ZINC000222773654 568526113 /nfs/dbraw/zinc/52/61/13/568526113.db2.gz XFKBCVDJVYFYSA-UHFFFAOYSA-N 0 0 411.889 4.306 40 0 HIABRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc2ccccc2c1 ZINC000222778447 568526334 /nfs/dbraw/zinc/52/63/34/568526334.db2.gz BNLLTLSVMWMJRG-UHFFFAOYSA-N 0 0 422.550 4.253 40 0 HIABRN CC(C)CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 ZINC000222853237 568528517 /nfs/dbraw/zinc/52/85/17/568528517.db2.gz CUYVMIOHVINDHJ-GOSISDBHSA-N 0 0 416.949 4.298 40 0 HIABRN COC(=O)c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1 ZINC000222855747 568528660 /nfs/dbraw/zinc/52/86/60/568528660.db2.gz FUYHGTYVUMDDSY-RTWAWAEBSA-N 0 0 420.538 4.040 40 0 HIABRN C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)N(C)c2ccccc2)cc1)c1ccccc1 ZINC000222859056 568528711 /nfs/dbraw/zinc/52/87/11/568528711.db2.gz MHXTWWHKHVNZQZ-LJQANCHMSA-N 0 0 422.550 4.322 40 0 HIABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F ZINC000222863567 568528843 /nfs/dbraw/zinc/52/88/43/568528843.db2.gz NQNVWGBNYFVZQN-OAHLLOKOSA-N 0 0 404.913 4.354 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccccc1C ZINC000222888163 568529627 /nfs/dbraw/zinc/52/96/27/568529627.db2.gz UWCBKVVQHWOFEW-KRWDZBQOSA-N 0 0 418.990 4.435 40 0 HIABRN COc1ccccc1O[C@H](C)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000222889301 568529709 /nfs/dbraw/zinc/52/97/09/568529709.db2.gz REDWHQJHZRRKGB-CYBMUJFWSA-N 0 0 401.513 4.245 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccccc1 ZINC000222889181 568529721 /nfs/dbraw/zinc/52/97/21/568529721.db2.gz NAJVTZZGXYYWNT-MRXNPFEDSA-N 0 0 404.963 4.376 40 0 HIABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CSCc1ccccc1 ZINC000222900631 568530087 /nfs/dbraw/zinc/53/00/87/568530087.db2.gz SLIYRQPAUFNDLY-JOCHJYFZSA-N 0 0 412.599 4.294 40 0 HIABRN CCc1ccc(O[C@H](CC)C(=O)N(C)Cc2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000222902361 568530201 /nfs/dbraw/zinc/53/02/01/568530201.db2.gz KMIQGKSBSYOVPA-HXUWFJFHSA-N 0 0 409.486 4.124 40 0 HIABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000222923542 568531014 /nfs/dbraw/zinc/53/10/14/568531014.db2.gz KZBLYEAZOYSUIB-JOCHJYFZSA-N 0 0 424.541 4.253 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000222922314 568531021 /nfs/dbraw/zinc/53/10/21/568531021.db2.gz AGUPMLFTXANKNK-IBGZPJMESA-N 0 0 404.963 4.376 40 0 HIABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(OC)c(OC)c1OC ZINC000222928563 568531275 /nfs/dbraw/zinc/53/12/75/568531275.db2.gz WLOPKJDLHHIXCW-IBGZPJMESA-N 0 0 415.530 4.484 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccccc1F ZINC000222932114 568531372 /nfs/dbraw/zinc/53/13/72/568531372.db2.gz NRLKUPRUEKWQKG-HNNXBMFYSA-N 0 0 422.953 4.266 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1cccc(Cl)c1 ZINC000222938385 568531796 /nfs/dbraw/zinc/53/17/96/568531796.db2.gz ZOLBRYUKUUWSCV-HNNXBMFYSA-N 0 0 422.953 4.266 40 0 HIABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N1CCN(c2ccccc2OC)CC1 ZINC000223008781 568534179 /nfs/dbraw/zinc/53/41/79/568534179.db2.gz YWDYDXHSPVHOQO-HXUWFJFHSA-N 0 0 402.922 4.163 40 0 HIABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)NCCCOC ZINC000223021445 568534482 /nfs/dbraw/zinc/53/44/82/568534482.db2.gz YSPBYWBUYRBDHB-HXUWFJFHSA-N 0 0 418.921 4.211 40 0 HIABRN COc1cccc(CN(C(=O)CSc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223025761 568534641 /nfs/dbraw/zinc/53/46/41/568534641.db2.gz HZXLNFQOBZPGPT-QGZVFWFLSA-N 0 0 414.571 4.119 40 0 HIABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000223028756 568534794 /nfs/dbraw/zinc/53/47/94/568534794.db2.gz BJEMNNXFRKTQBL-QGZVFWFLSA-N 0 0 407.894 4.148 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1cc(C)ccc1C ZINC000223032009 568534888 /nfs/dbraw/zinc/53/48/88/568534888.db2.gz HAQJQSUBARWBAP-OAQYLSRUSA-N 0 0 410.558 4.324 40 0 HIABRN COc1cccc(-c2noc(CNC(=O)CSCc3ccc(Cl)cc3F)n2)c1 ZINC000223042899 568535244 /nfs/dbraw/zinc/53/52/44/568535244.db2.gz DTWWAUWPNLOLLN-UHFFFAOYSA-N 0 0 421.881 4.087 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(Cl)cc1 ZINC000223044711 568535368 /nfs/dbraw/zinc/53/53/68/568535368.db2.gz BVRJHICDPXZUQZ-SFHVURJKSA-N 0 0 416.949 4.361 40 0 HIABRN COCc1nn2c(nnc3c2ccn([C@H]2CCC[C@@H](C)[C@@H]2C)c3=O)c1-c1ccccc1 ZINC000223057854 568535979 /nfs/dbraw/zinc/53/59/79/568535979.db2.gz DHKNVZDEKLZGFV-GJYPPUQNSA-N 0 0 417.513 4.250 40 0 HIABRN COc1cccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223059730 568536050 /nfs/dbraw/zinc/53/60/50/568536050.db2.gz JXVNLAUIMZUACT-LJQANCHMSA-N 0 0 410.558 4.187 40 0 HIABRN COc1cccc(CN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223058694 568536051 /nfs/dbraw/zinc/53/60/51/568536051.db2.gz QKOANRUYPXRTSB-INIZCTEOSA-N 0 0 416.949 4.223 40 0 HIABRN COc1cccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223059677 568536066 /nfs/dbraw/zinc/53/60/66/568536066.db2.gz JXVNLAUIMZUACT-IBGZPJMESA-N 0 0 410.558 4.187 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223062067 568536166 /nfs/dbraw/zinc/53/61/66/568536166.db2.gz VAWUTAOYBHKDKW-FQEVSTJZSA-N 0 0 418.990 4.435 40 0 HIABRN COc1cccc(-c2c3c(ccn([C@H]4CCC[C@@H](C)[C@@H]4C)c3=O)nc3ncnn32)c1 ZINC000223064363 568536302 /nfs/dbraw/zinc/53/63/02/568536302.db2.gz WZCRTOYGYSQVGQ-VCBZYWHSSA-N 0 0 403.486 4.112 40 0 HIABRN COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)cc1 ZINC000223064808 568536307 /nfs/dbraw/zinc/53/63/07/568536307.db2.gz IXALRCATVPYXGX-SFTDATJTSA-N 0 0 410.518 4.020 40 0 HIABRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)c(C)c1 ZINC000223067772 568536387 /nfs/dbraw/zinc/53/63/87/568536387.db2.gz AWGWMNGOHQSXEH-DHIUTWEWSA-N 0 0 420.582 4.498 40 0 HIABRN Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCSC(C)(C)C)c1 ZINC000223071922 568536499 /nfs/dbraw/zinc/53/64/99/568536499.db2.gz RBUSGINYFYTMNM-JXAWBTAJSA-N 0 0 402.585 4.475 40 0 HIABRN COc1ccccc1CNC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000223081026 568536708 /nfs/dbraw/zinc/53/67/08/568536708.db2.gz VSSSLEVTFVBIDI-UHFFFAOYSA-N 0 0 418.468 4.357 40 0 HIABRN COCCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C ZINC000223093933 568537412 /nfs/dbraw/zinc/53/74/12/568537412.db2.gz QCEVUQNWKATHFG-VXKWHMMOSA-N 0 0 412.603 4.452 40 0 HIABRN CCCCN1c2ccc(C(=O)NC3CCCCCCC3)cc2S(=O)(=O)N=C1C ZINC000223118545 568538141 /nfs/dbraw/zinc/53/81/41/568538141.db2.gz DSTGENAZYHQNJG-UHFFFAOYSA-N 0 0 405.564 4.257 40 0 HIABRN C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000223117027 568538143 /nfs/dbraw/zinc/53/81/43/568538143.db2.gz ZRVWIGRKZBFCRY-KRWDZBQOSA-N 0 0 400.950 4.257 40 0 HIABRN C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCCOc1ccccc1 ZINC000223118536 568538156 /nfs/dbraw/zinc/53/81/56/568538156.db2.gz MIMYTNCCEMOOLX-FQEVSTJZSA-N 0 0 410.558 4.220 40 0 HIABRN CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1)c1ccc2c(c1)CCCC2 ZINC000223129961 568538678 /nfs/dbraw/zinc/53/86/78/568538678.db2.gz MCLKOWWERCUJQG-HXUWFJFHSA-N 0 0 421.946 4.435 40 0 HIABRN C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1cccc(Cl)c1 ZINC000223131743 568538789 /nfs/dbraw/zinc/53/87/89/568538789.db2.gz NKMSBXZAPXUULK-KRWDZBQOSA-N 0 0 400.950 4.257 40 0 HIABRN Cc1cccc(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1C ZINC000223130936 568538817 /nfs/dbraw/zinc/53/88/17/568538817.db2.gz SBWJAUSUNAUQDJ-FQEVSTJZSA-N 0 0 410.558 4.057 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)cc1C ZINC000223141318 568539237 /nfs/dbraw/zinc/53/92/37/568539237.db2.gz XCQPRKDBSVUSGS-NRFANRHFSA-N 0 0 410.558 4.324 40 0 HIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccc(C)c(C)c1 ZINC000223163415 568539866 /nfs/dbraw/zinc/53/98/66/568539866.db2.gz CVLGXWGZCKEUPB-QFIPXVFZSA-N 0 0 410.558 4.404 40 0 HIABRN COc1ccc(OC)c([C@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000223186730 568540535 /nfs/dbraw/zinc/54/05/35/568540535.db2.gz RSYGRYDGDHHNRW-NSHDSACASA-N 0 0 404.315 4.191 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223197612 568540880 /nfs/dbraw/zinc/54/08/80/568540880.db2.gz TZMSDUXIJKTBMU-IBGZPJMESA-N 0 0 422.953 4.266 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223239019 568542225 /nfs/dbraw/zinc/54/22/25/568542225.db2.gz PLUFBTJNDVXKHI-SFHVURJKSA-N 0 0 411.304 4.228 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C)c(C)c1 ZINC000223268422 568543434 /nfs/dbraw/zinc/54/34/34/568543434.db2.gz LVULCPRHWGRTBZ-LJQANCHMSA-N 0 0 414.521 4.155 40 0 HIABRN CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000223290311 568544210 /nfs/dbraw/zinc/54/42/10/568544210.db2.gz CVKRGBNLHUTRQW-CXUHLZMHSA-N 0 0 408.479 4.039 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cc(Br)cs2)N1C[C@@H]1CCCO1 ZINC000223295124 568544356 /nfs/dbraw/zinc/54/43/56/568544356.db2.gz AUSLSFLLBGLWLH-APHBMKBZSA-N 0 0 424.389 4.057 40 0 HIABRN Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1 ZINC000223301992 568544615 /nfs/dbraw/zinc/54/46/15/568544615.db2.gz UJHMUWDBAHWATH-PMOQBDJRSA-N 0 0 418.566 4.332 40 0 HIABRN COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccccc2SC)cc1 ZINC000223312744 568544886 /nfs/dbraw/zinc/54/48/86/568544886.db2.gz OHIGNBWXWWYBJS-RGEXLXHISA-N 0 0 408.479 4.420 40 0 HIABRN Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1C[C@@H]1CCCO1 ZINC000223317018 568544969 /nfs/dbraw/zinc/54/49/69/568544969.db2.gz HIFSBQPKJNTPAI-NMNUPHIUSA-N 0 0 418.566 4.332 40 0 HIABRN Fc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1 ZINC000223317979 568545102 /nfs/dbraw/zinc/54/51/02/568545102.db2.gz IYNYJOUWPCTIKW-VLCRHTCISA-N 0 0 422.529 4.163 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1cccc(C)c1 ZINC000223325210 568545214 /nfs/dbraw/zinc/54/52/14/568545214.db2.gz PQQIDVZCUFGJMV-LJQANCHMSA-N 0 0 423.340 4.234 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccccn2)N1Cc1ccco1 ZINC000223332210 568545466 /nfs/dbraw/zinc/54/54/66/568545466.db2.gz MITRTLXTIREDKD-RTWAWAEBSA-N 0 0 401.495 4.033 40 0 HIABRN CCn1c2cc(C)c(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2oc1=O ZINC000223354619 568546155 /nfs/dbraw/zinc/54/61/55/568546155.db2.gz FTCQOWCWMAHSAJ-UHFFFAOYSA-N 0 0 401.271 4.030 40 0 HIABRN COc1cc(C)c([C@H](C)NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)cc1C(C)C ZINC000223366553 568546667 /nfs/dbraw/zinc/54/66/67/568546667.db2.gz ORQZHDWPRQWECU-INIZCTEOSA-N 0 0 418.559 4.014 40 0 HIABRN COCCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C ZINC000223381421 568547029 /nfs/dbraw/zinc/54/70/29/568547029.db2.gz HNRSHAIEAXMALD-GOTSBHOMSA-N 0 0 420.582 4.319 40 0 HIABRN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCCC3=CCCCC3)o2)cc1 ZINC000223401734 568547535 /nfs/dbraw/zinc/54/75/35/568547535.db2.gz CJFWCEHLJAUSNC-UHFFFAOYSA-N 0 0 416.543 4.029 40 0 HIABRN Cc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NCC(C)C)cc1 ZINC000223421117 568548556 /nfs/dbraw/zinc/54/85/56/568548556.db2.gz YOCUEJLYKWRRBY-UHFFFAOYSA-N 0 0 404.532 4.429 40 0 HIABRN Cc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1C ZINC000223424530 568548707 /nfs/dbraw/zinc/54/87/07/568548707.db2.gz PUWNCKXLWQQJHK-IAGOWNOFSA-N 0 0 422.978 4.297 40 0 HIABRN Cc1cc(C)c([C@@H](C)NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1C ZINC000223443272 568549029 /nfs/dbraw/zinc/54/90/29/568549029.db2.gz KCFXMBORIORMIR-GOSISDBHSA-N 0 0 420.550 4.175 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223458946 568549493 /nfs/dbraw/zinc/54/94/93/568549493.db2.gz JWMDBHWVTOPWTO-LJQANCHMSA-N 0 0 423.340 4.098 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223469135 568549790 /nfs/dbraw/zinc/54/97/90/568549790.db2.gz LFMZHGZIRYYYSD-HXUWFJFHSA-N 0 0 410.558 4.188 40 0 HIABRN CC(C)C(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccco1)c1ccccc1 ZINC000223486656 568550230 /nfs/dbraw/zinc/55/02/30/568550230.db2.gz SBVPZVMGVFDTCH-JOCHJYFZSA-N 0 0 408.473 4.461 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223505386 568550555 /nfs/dbraw/zinc/55/05/55/568550555.db2.gz DAGIEEBGENHOQN-MRXNPFEDSA-N 0 0 404.963 4.127 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)cc(C)c1 ZINC000223514578 568550783 /nfs/dbraw/zinc/55/07/83/568550783.db2.gz GKDGKYHDKSLNKJ-FQEVSTJZSA-N 0 0 410.558 4.188 40 0 HIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1Cc1ccncc1 ZINC000223517338 568550785 /nfs/dbraw/zinc/55/07/85/568550785.db2.gz QNYPAQXMMONHJY-GOTSBHOMSA-N 0 0 411.534 4.440 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1Cl ZINC000223513459 568550802 /nfs/dbraw/zinc/55/08/02/568550802.db2.gz RMKSGSYBOAAMHP-KRWDZBQOSA-N 0 0 416.949 4.225 40 0 HIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2ccco2)N1Cc1ccccn1 ZINC000223530430 568551013 /nfs/dbraw/zinc/55/10/13/568551013.db2.gz NIQMCMNRWMGKTM-FCHUYYIVSA-N 0 0 415.522 4.092 40 0 HIABRN COc1ccc(CN(C(C)=O)[C@H](C(=O)NCc2ccccc2)c2ccccc2)cc1 ZINC000223541165 568551260 /nfs/dbraw/zinc/55/12/60/568551260.db2.gz YBLSKFNXJCQOFA-DEOSSOPVSA-N 0 0 402.494 4.101 40 0 HIABRN COc1ccc(CN(C(C)=O)[C@@H](C(=O)NCc2ccccc2)c2ccccc2)cc1 ZINC000223541115 568551293 /nfs/dbraw/zinc/55/12/93/568551293.db2.gz YBLSKFNXJCQOFA-XMMPIXPASA-N 0 0 402.494 4.101 40 0 HIABRN COc1ccc(CSCC(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1 ZINC000223574988 568552060 /nfs/dbraw/zinc/55/20/60/568552060.db2.gz OODMQIGIFGQQKO-UHFFFAOYSA-N 0 0 401.513 4.094 40 0 HIABRN CCOc1ccc(CNC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)cc1 ZINC000223578640 568552174 /nfs/dbraw/zinc/55/21/74/568552174.db2.gz WKNZDESIDQTXNX-JCMHNJIXSA-N 0 0 404.466 4.074 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223579172 568552175 /nfs/dbraw/zinc/55/21/75/568552175.db2.gz LBVKCIKRUDIWPR-SFHVURJKSA-N 0 0 416.949 4.361 40 0 HIABRN Cc1c(Cl)cccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)o1 ZINC000223594774 568552694 /nfs/dbraw/zinc/55/26/94/568552694.db2.gz ZTGSDASTKFKBAC-UXHICEINSA-N 0 0 413.930 4.268 40 0 HIABRN Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)o1 ZINC000223594829 568552719 /nfs/dbraw/zinc/55/27/19/568552719.db2.gz ZTGSDASTKFKBAC-VQTJNVASSA-N 0 0 413.930 4.268 40 0 HIABRN COc1ccc(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1C(C)C ZINC000223600297 568553004 /nfs/dbraw/zinc/55/30/04/568553004.db2.gz RNJQKRXJCXCKKD-UHFFFAOYSA-N 0 0 421.906 4.001 40 0 HIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 ZINC000223603718 568553094 /nfs/dbraw/zinc/55/30/94/568553094.db2.gz ZTFZMQZIOBAQFF-NRFANRHFSA-N 0 0 424.541 4.072 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223625919 568553725 /nfs/dbraw/zinc/55/37/25/568553725.db2.gz BNJLCKIUJXVCDV-IBGZPJMESA-N 0 0 410.558 4.225 40 0 HIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(F)cc1 ZINC000223628504 568554003 /nfs/dbraw/zinc/55/40/03/568554003.db2.gz ILYIZAXYONZTII-OAQYLSRUSA-N 0 0 414.521 4.099 40 0 HIABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCCO ZINC000223635942 568554314 /nfs/dbraw/zinc/55/43/14/568554314.db2.gz NTVQUIHPBBPALC-PKTZIBPZSA-N 0 0 420.582 4.152 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000223671073 568555577 /nfs/dbraw/zinc/55/55/77/568555577.db2.gz WHOBQZNPMMRSHQ-GOSISDBHSA-N 0 0 416.949 4.197 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(Cl)c(C)c1 ZINC000223715435 568557210 /nfs/dbraw/zinc/55/72/10/568557210.db2.gz XRWUDWMKIAWJOV-OAHLLOKOSA-N 0 0 423.340 4.234 40 0 HIABRN Cc1cccc(N(CCCC(=O)N(C)Cc2ccc(Cl)cc2)S(C)(=O)=O)c1C ZINC000223732784 568557668 /nfs/dbraw/zinc/55/76/68/568557668.db2.gz PTCOMAZNJCELFJ-UHFFFAOYSA-N 0 0 422.978 4.162 40 0 HIABRN Cc1ccccc1CN(C(=O)COc1ccccc1C)[C@@H](C)C(=O)NC1CCCC1 ZINC000223756751 568558169 /nfs/dbraw/zinc/55/81/69/568558169.db2.gz ACIFQSNKNSXABP-FQEVSTJZSA-N 0 0 408.542 4.158 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccc(C)cc1 ZINC000223755647 568558225 /nfs/dbraw/zinc/55/82/25/568558225.db2.gz QQCFVGXHVHZRJZ-GOSISDBHSA-N 0 0 416.949 4.361 40 0 HIABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccccc1 ZINC000223779490 568558906 /nfs/dbraw/zinc/55/89/06/568558906.db2.gz AMANWUGCCZIJQL-INIZCTEOSA-N 0 0 404.963 4.376 40 0 HIABRN Cc1cccc(CN(C(=O)COc2ccc(C)cc2C)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223807130 568559497 /nfs/dbraw/zinc/55/94/97/568559497.db2.gz PIMMDUBOEADJHD-NRFANRHFSA-N 0 0 422.569 4.467 40 0 HIABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(F)cc1 ZINC000223828309 568560109 /nfs/dbraw/zinc/56/01/09/568560109.db2.gz DKCVMCXHQHPFLM-INIZCTEOSA-N 0 0 416.924 4.498 40 0 HIABRN CCc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000223826540 568560113 /nfs/dbraw/zinc/56/01/13/568560113.db2.gz OYBXFIYGGWIPGE-HNNXBMFYSA-N 0 0 420.962 4.178 40 0 HIABRN COCCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C ZINC000223854724 568561033 /nfs/dbraw/zinc/56/10/33/568561033.db2.gz JENGRBHQMNMBLA-YADHBBJMSA-N 0 0 422.554 4.029 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1C ZINC000223877746 568561690 /nfs/dbraw/zinc/56/16/90/568561690.db2.gz MMODZFZIRSOJNJ-OAHLLOKOSA-N 0 0 423.340 4.234 40 0 HIABRN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1C ZINC000223892149 568562217 /nfs/dbraw/zinc/56/22/17/568562217.db2.gz NZAMBUYARCGISH-VXKWHMMOSA-N 0 0 405.571 4.280 40 0 HIABRN COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)Cc2cccc3ccccc32)c1 ZINC000223902273 568562448 /nfs/dbraw/zinc/56/24/48/568562448.db2.gz VPGUDJHQEDGVMV-UHFFFAOYSA-N 0 0 403.887 4.101 40 0 HIABRN COc1ccc(CNC(=S)Nc2ncc(Cl)c(C)c2Br)cc1 ZINC000223925555 568563126 /nfs/dbraw/zinc/56/31/26/568563126.db2.gz QCDHIDFLGOCGQK-UHFFFAOYSA-N 0 0 400.729 4.301 40 0 HIABRN CCOc1cccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)c1 ZINC000223941163 568563873 /nfs/dbraw/zinc/56/38/73/568563873.db2.gz BLNAUFXFGJBXOH-UHFFFAOYSA-N 0 0 424.522 4.125 40 0 HIABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1 ZINC000223948449 568564164 /nfs/dbraw/zinc/56/41/64/568564164.db2.gz VOYVCIVBGZORGE-QHCPKHFHSA-N 0 0 410.558 4.352 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C ZINC000223964676 568564688 /nfs/dbraw/zinc/56/46/88/568564688.db2.gz PJBUJNQDHHANGI-OAHLLOKOSA-N 0 0 407.341 4.398 40 0 HIABRN CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1)c1ccccc1 ZINC000223985879 568565347 /nfs/dbraw/zinc/56/53/47/568565347.db2.gz PPEJWLWMVNIYST-JOCHJYFZSA-N 0 0 424.522 4.377 40 0 HIABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccccc3C)cc2)cc1 ZINC000223987325 568565445 /nfs/dbraw/zinc/56/54/45/568565445.db2.gz WAGWPCNVXOIRQO-KRWDZBQOSA-N 0 0 424.522 4.295 40 0 HIABRN Cc1cc(C(=O)N2CCCCCC2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000224003957 568565908 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/nfs/dbraw/zinc/77/07/78/557770778.db2.gz PTYIXNJIOZQEAM-UHFFFAOYSA-N 0 0 414.861 4.045 40 0 HIABRN CCOC(=O)C(=Cc1ccc(OCc2ccccc2Cl)c(OC)c1)C(=O)OCC ZINC000408726004 557780275 /nfs/dbraw/zinc/78/02/75/557780275.db2.gz NZMRUYIGDGFTFM-UHFFFAOYSA-N 0 0 418.873 4.437 40 0 HIABRN CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1)c1ccc(C)cc1 ZINC000008305859 557780793 /nfs/dbraw/zinc/78/07/93/557780793.db2.gz DSLLAIZHUWZHJB-JOCHJYFZSA-N 0 0 410.539 4.036 40 0 HIABRN COc1ccc(NC(=O)N(Cc2ccc(F)cc2)c2nnc3n2CCCCC3)cc1 ZINC000008475013 557792564 /nfs/dbraw/zinc/79/25/64/557792564.db2.gz UBEMQOUUYJYLEE-UHFFFAOYSA-N 0 0 409.465 4.391 40 0 HIABRN COc1cccc(CN(C(=O)Nc2cccc(OC)c2)c2nnc3n2CCCCC3)c1 ZINC000008494647 557793244 /nfs/dbraw/zinc/79/32/44/557793244.db2.gz YLLDLCMAXNURAX-UHFFFAOYSA-N 0 0 421.501 4.260 40 0 HIABRN O=Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000035668610 557811420 /nfs/dbraw/zinc/81/14/20/557811420.db2.gz JBBWNVLIDUUPLX-UHFFFAOYSA-N 0 0 413.065 4.042 40 0 HIABRN Cc1cccc(C)c1NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000010009583 557853561 /nfs/dbraw/zinc/85/35/61/557853561.db2.gz WWMBKROPPOUTHV-UHFFFAOYSA-N 0 0 400.525 4.442 40 0 HIABRN C[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1ccccc1 ZINC000010009609 557853613 /nfs/dbraw/zinc/85/36/13/557853613.db2.gz BMRWXXWOPOGDTM-OAHLLOKOSA-N 0 0 400.525 4.064 40 0 HIABRN COc1ccc([C@@H]2Cc3c(cnn3-c3nc4ccccc4s3)C(=O)C2)cc1OC ZINC000010156821 557856055 /nfs/dbraw/zinc/85/60/55/557856055.db2.gz GBPXAEDJRCACLQ-CQSZACIVSA-N 0 0 405.479 4.412 40 0 HIABRN Cc1nccn1CCC(=O)N1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1 ZINC000019719904 558258470 /nfs/dbraw/zinc/25/84/70/558258470.db2.gz ABAVSEFETJZVKP-UHFFFAOYSA-N 0 0 420.460 4.309 40 0 HIABRN Cc1nc([C@H]2CCCCN2C(=O)CC(C)C)nc2c1CC(=O)N2CC1CCCCC1 ZINC000019740221 558261069 /nfs/dbraw/zinc/26/10/69/558261069.db2.gz XLVMGNFXRDHDDC-HXUWFJFHSA-N 0 0 412.578 4.354 40 0 HIABRN Cc1nc([C@@H]2CCCCN2C(=O)CC(C)C)nc2c1CC(=O)N2CC1CCCCC1 ZINC000019740223 558261084 /nfs/dbraw/zinc/26/10/84/558261084.db2.gz XLVMGNFXRDHDDC-FQEVSTJZSA-N 0 0 412.578 4.354 40 0 HIABRN CC(C)Nc1n[nH]c2nc([C@@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)ccc12 ZINC000019742785 558263394 /nfs/dbraw/zinc/26/33/94/558263394.db2.gz DJNGDTGYNMHNGY-MRXNPFEDSA-N 0 0 416.529 4.208 40 0 HIABRN Cc1nc([C@H]2CCCCN2C(=O)c2ccccc2)ncc1C(=O)Nc1ccccc1 ZINC000019753365 558272733 /nfs/dbraw/zinc/27/27/33/558272733.db2.gz YQQMFKYZOIVQRY-OAQYLSRUSA-N 0 0 400.482 4.405 40 0 HIABRN Cc1ncsc1C(=O)N1CCCC[C@H]1c1ncc(C(=O)Nc2ccccc2)c(C)n1 ZINC000019753597 558273152 /nfs/dbraw/zinc/27/31/52/558273152.db2.gz YKZUDOHBPGZMMZ-SFHVURJKSA-N 0 0 421.526 4.170 40 0 HIABRN COC(=O)c1c(C)nc2ccn(-c3ccccc3F)c(=O)c2c1-c1ccc(OC)cc1 ZINC000019819270 558289582 /nfs/dbraw/zinc/28/95/82/558289582.db2.gz NZDOIFLGPMABOE-UHFFFAOYSA-N 0 0 418.424 4.295 40 0 HIABRN Cc1cccc(-c2nc(SCC(=O)Nc3ccccc3Br)n[nH]2)c1 ZINC000019927537 558308296 /nfs/dbraw/zinc/30/82/96/558308296.db2.gz OSYDETCYBUINKG-UHFFFAOYSA-N 0 0 403.305 4.273 40 0 HIABRN CC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccc(C)c(C)c3)o2)c1 ZINC000019927975 558308410 /nfs/dbraw/zinc/30/84/10/558308410.db2.gz ADIVAOUQIAFRKJ-UHFFFAOYSA-N 0 0 411.483 4.199 40 0 HIABRN Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)c3cccc4cccnc43)C2)n1 ZINC000012088626 558323105 /nfs/dbraw/zinc/32/31/05/558323105.db2.gz FCNYPCVPQVSRBQ-HXUWFJFHSA-N 0 0 409.493 4.415 40 0 HIABRN O=S(=O)(c1cccnc1)N1CCCCC[C@@H]1c1cc(-c2ccc(F)cc2)no1 ZINC000012088860 558323442 /nfs/dbraw/zinc/32/34/42/558323442.db2.gz MEJBFYCBJXHNFR-LJQANCHMSA-N 0 0 401.463 4.182 40 0 HIABRN CC[C@H](NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000020037443 558325235 /nfs/dbraw/zinc/32/52/35/558325235.db2.gz HCDFNGZZXFIVIJ-RXVVDRJESA-N 0 0 402.560 4.034 40 0 HIABRN CC[C@@H](NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 ZINC000020042679 558326321 /nfs/dbraw/zinc/32/63/21/558326321.db2.gz LSRRWIFCAQBFRQ-HSZRJFAPSA-N 0 0 422.550 4.458 40 0 HIABRN CCCn1c(CN2CCC(NC(C)=O)(c3ccccc3F)CC2)nc2ccccc21 ZINC000012116978 558328776 /nfs/dbraw/zinc/32/87/76/558328776.db2.gz ZVKPVKKTGYROIO-UHFFFAOYSA-N 0 0 408.521 4.213 40 0 HIABRN Cc1c(Cl)cccc1NC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O ZINC000020063028 558329794 /nfs/dbraw/zinc/32/97/94/558329794.db2.gz ZNPRYISRPXFWFI-UHFFFAOYSA-N 0 0 412.898 4.463 40 0 HIABRN Cc1ccc(C)c(NC(=O)C2=C(c3ccccc3)c3ccccc3N(C)S2(=O)=O)c1 ZINC000020063400 558330161 /nfs/dbraw/zinc/33/01/61/558330161.db2.gz WQLIFCKPYORXGG-UHFFFAOYSA-N 0 0 418.518 4.481 40 0 HIABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 ZINC000020104615 558332750 /nfs/dbraw/zinc/33/27/50/558332750.db2.gz SOBXWDZAQWKPFH-FQEVSTJZSA-N 0 0 412.511 4.032 40 0 HIABRN COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)c3c(Cl)cnn3C)on2)cc1 ZINC000012133922 558333534 /nfs/dbraw/zinc/33/35/34/558333534.db2.gz FPGFTQGWCZTBSL-GOSISDBHSA-N 0 0 414.893 4.495 40 0 HIABRN COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CCc2cccc(C)n2)cc1 ZINC000012145610 558336927 /nfs/dbraw/zinc/33/69/27/558336927.db2.gz PYLNICLHYZHUJB-JOCHJYFZSA-N 0 0 418.541 4.347 40 0 HIABRN O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1cccc(I)c1 ZINC000020137955 558337937 /nfs/dbraw/zinc/33/79/37/558337937.db2.gz CXMSNOLKTBBKNU-UHFFFAOYSA-N 0 0 419.218 4.296 40 0 HIABRN COc1ccccc1CNc1ncc(-c2onc(C)c2C)c(-c2cnc(C)cn2)n1 ZINC000012156427 558340475 /nfs/dbraw/zinc/34/04/75/558340475.db2.gz ZBQSENDFWZXSHK-UHFFFAOYSA-N 0 0 402.458 4.135 40 0 HIABRN CCOc1cccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2C)c1 ZINC000020152656 558341526 /nfs/dbraw/zinc/34/15/26/558341526.db2.gz YIEMSRJLZDTBKD-UHFFFAOYSA-N 0 0 410.495 4.273 40 0 HIABRN Cc1ccc(CC(=O)N2CCC(c3cc4nc(C)cc(C(F)(F)F)n4n3)CC2)cc1 ZINC000012160565 558341792 /nfs/dbraw/zinc/34/17/92/558341792.db2.gz YRNWBTHZTXWYRF-UHFFFAOYSA-N 0 0 416.447 4.314 40 0 HIABRN Cc1cc(C(F)F)n2nc(C(=O)N3[C@@H]4CC[C@H]3CC(c3ccc(F)cc3)C4)nc2n1 ZINC000012181113 558342726 /nfs/dbraw/zinc/34/27/26/558342726.db2.gz RQHFSMCPTIQWGR-VHRNVKJDSA-N 0 0 415.419 4.060 40 0 HIABRN CC(C)C(=O)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3nc(C(C)(C)C)cc3N2)CC1 ZINC000012181514 558342970 /nfs/dbraw/zinc/34/29/70/558342970.db2.gz FFRJGTTVKZOJTC-GOEBONIOSA-N 0 0 400.489 4.363 40 0 HIABRN Cc1ccc2c(c1)oc(=O)n2CCNC(=O)CC1c2ccccc2Oc2ccccc21 ZINC000012188656 558347322 /nfs/dbraw/zinc/34/73/22/558347322.db2.gz HMUOQFZIYRVSHU-UHFFFAOYSA-N 0 0 414.461 4.347 40 0 HIABRN CN(C)c1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)[C@H]3CC=CCC3)cc2)n1 ZINC000012222379 558356389 /nfs/dbraw/zinc/35/63/89/558356389.db2.gz VRUXLVPKTFFOLI-FQEVSTJZSA-N 0 0 413.525 4.244 40 0 HIABRN COc1cc(CNc2ncc(-c3cnccn3)c(-c3ccoc3C)n2)cc(OC)c1 ZINC000012252693 558362459 /nfs/dbraw/zinc/36/24/59/558362459.db2.gz RRTRVDWOQBYGMX-UHFFFAOYSA-N 0 0 403.442 4.131 40 0 HIABRN Cc1ccccc1[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000020451107 558365454 /nfs/dbraw/zinc/36/54/54/558365454.db2.gz SLYGWAZFRQPISV-DEOSSOPVSA-N 0 0 420.534 4.190 40 0 HIABRN Cc1ccc(CN(C)C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1 ZINC000020452392 558366561 /nfs/dbraw/zinc/36/65/61/558366561.db2.gz GDOURZFIQDRQBQ-UHFFFAOYSA-N 0 0 408.523 4.376 40 0 HIABRN CC[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccccc1C(=O)NCCOC ZINC000020460658 558372887 /nfs/dbraw/zinc/37/28/87/558372887.db2.gz GRWNYZZERBRSJX-NRFANRHFSA-N 0 0 406.482 4.012 40 0 HIABRN Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1NS(C)(=O)=O ZINC000020484933 558376224 /nfs/dbraw/zinc/37/62/24/558376224.db2.gz UWQSRIZXWYLNJR-QFIPXVFZSA-N 0 0 408.523 4.194 40 0 HIABRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1C ZINC000020486737 558376763 /nfs/dbraw/zinc/37/67/63/558376763.db2.gz YPPXMDSSVMGIRW-SFHVURJKSA-N 0 0 403.482 4.034 40 0 HIABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 ZINC000020491710 558378271 /nfs/dbraw/zinc/37/82/71/558378271.db2.gz JCGGIWOFVXMIAR-NRFANRHFSA-N 0 0 412.511 4.032 40 0 HIABRN CCc1cccc(C)c1NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000020494416 558379656 /nfs/dbraw/zinc/37/96/56/558379656.db2.gz FHBDGMIIWQEJPY-UHFFFAOYSA-N 0 0 400.544 4.125 40 0 HIABRN COc1ccc(/C=C/C(=O)Nc2nnc(-c3ccc(Br)cc3)o2)cc1 ZINC000020496052 558380359 /nfs/dbraw/zinc/38/03/59/558380359.db2.gz CITIXCSNRPOLHH-NYYWCZLTSA-N 0 0 400.232 4.160 40 0 HIABRN CCCc1nnc2sc(-c3cccc(NC(=O)COc4ccccc4C)c3)nn12 ZINC000020609687 558389768 /nfs/dbraw/zinc/38/97/68/558389768.db2.gz KNLUPZUENQUBGI-UHFFFAOYSA-N 0 0 407.499 4.131 40 0 HIABRN CCCCN1c2nc3ccccc3n2[C@H](c2ccc(F)cc2)[C@@H](C(=O)OCC)C1=O ZINC000020638203 558396719 /nfs/dbraw/zinc/39/67/19/558396719.db2.gz MCXVMSMODQYNGW-WOJBJXKFSA-N 0 0 409.461 4.091 40 0 HIABRN Cc1ccccc1[C@@H](C(=O)OCC1c2ccccc2-c2ccccc21)[C@H]([NH3+])CC(=O)[O-] ZINC000021301755 558435174 /nfs/dbraw/zinc/43/51/74/558435174.db2.gz MGDUHQPPHNBXNJ-ILBGXUMGSA-N 0 0 415.489 4.236 40 0 HIABRN CCCCSc1nc2n(n1)[C@@H](c1cccc(OCC)c1)C(C(=O)OC)C(C)=N2 ZINC000004369477 558462298 /nfs/dbraw/zinc/46/22/98/558462298.db2.gz CJWLUVTWGDRPOA-KRWDZBQOSA-N 0 0 402.520 4.031 40 0 HIABRN Cc1ccc(N2CCC[C@@H](C(=O)NCc3nc(-c4ccc(Cl)cc4)no3)C2)cc1 ZINC000022255860 558474261 /nfs/dbraw/zinc/47/42/61/558474261.db2.gz ILWJCTJDOAGPPM-QGZVFWFLSA-N 0 0 410.905 4.231 40 0 HIABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccc3C(C)(C)C)C2)cc1 ZINC000022258915 558474858 /nfs/dbraw/zinc/47/48/58/558474858.db2.gz RYMODZNOPXIIDM-GOSISDBHSA-N 0 0 414.571 4.332 40 0 HIABRN Cc1ccc([C@@H](C)NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1C ZINC000022330414 558479685 /nfs/dbraw/zinc/47/96/85/558479685.db2.gz BPBOAMVULBOXNA-GOSISDBHSA-N 0 0 402.560 4.070 40 0 HIABRN CC[C@@H](NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O)c1ccc(C)cc1C ZINC000022337154 558481734 /nfs/dbraw/zinc/48/17/34/558481734.db2.gz JGYXDINMKCLDEJ-LJQANCHMSA-N 0 0 422.978 4.299 40 0 HIABRN Cc1ccc([C@H](C)NC(=O)CN(c2cccc3ccccc32)S(C)(=O)=O)cc1C ZINC000022340282 558482094 /nfs/dbraw/zinc/48/20/94/558482094.db2.gz ZUNWWKMKZQZJNR-SFHVURJKSA-N 0 0 410.539 4.100 40 0 HIABRN Cc1cc(C)cc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)c1 ZINC000022379512 558484525 /nfs/dbraw/zinc/48/45/25/558484525.db2.gz FSBYYECJXOUXLG-UHFFFAOYSA-N 0 0 418.515 4.338 40 0 HIABRN CC(C)c1ccccc1N(CC(=O)Nc1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000022382130 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416.949 4.223 40 0 HIABRN COCc1nn2c(nnc3c2ccn([C@@H]2CCC[C@@H](C)[C@@H]2C)c3=O)c1-c1ccccc1 ZINC000223057792 568536021 /nfs/dbraw/zinc/53/60/21/568536021.db2.gz DHKNVZDEKLZGFV-JTDSTZFVSA-N 0 0 417.513 4.250 40 0 HIABRN CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)CC)cc1)c1ccc2c(c1)CCCC2 ZINC000223061580 568536192 /nfs/dbraw/zinc/53/61/92/568536192.db2.gz REDJMYMDUREVST-JOCHJYFZSA-N 0 0 414.571 4.232 40 0 HIABRN CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)CC)cc1)c1ccc2c(c1)CCCC2 ZINC000223071194 568536517 /nfs/dbraw/zinc/53/65/17/568536517.db2.gz DVKCKRPPABOBLV-OAQYLSRUSA-N 0 0 400.544 4.208 40 0 HIABRN CC(C)OCCCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000223077780 568536644 /nfs/dbraw/zinc/53/66/44/568536644.db2.gz DMLOVLFZWZDZDX-UHFFFAOYSA-N 0 0 414.933 4.478 40 0 HIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(F)cc1 ZINC000223080121 568536744 /nfs/dbraw/zinc/53/67/44/568536744.db2.gz DUIPKPCBAIQBQK-HOTGVXAUSA-N 0 0 420.912 4.190 40 0 HIABRN 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CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1F ZINC000223446257 568549085 /nfs/dbraw/zinc/54/90/85/568549085.db2.gz YBUMMSDYCMEYJY-IBGZPJMESA-N 0 0 418.484 4.066 40 0 HIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(F)cc1 ZINC000223447398 568549097 /nfs/dbraw/zinc/54/90/97/568549097.db2.gz JJUIHDAIWPDIPJ-HXUWFJFHSA-N 0 0 402.485 4.229 40 0 HIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1F ZINC000223448782 568549165 /nfs/dbraw/zinc/54/91/65/568549165.db2.gz XCQZAINSBKYFOL-HXUWFJFHSA-N 0 0 402.485 4.229 40 0 HIABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CSCc1cccc(Cl)c1 ZINC000223461951 568549646 /nfs/dbraw/zinc/54/96/46/568549646.db2.gz LFWOPAHENBBFNV-FQEVSTJZSA-N 0 0 418.990 4.169 40 0 HIABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223462550 568549705 /nfs/dbraw/zinc/54/97/05/568549705.db2.gz MDVPBYICNBJAJW-HXUWFJFHSA-N 0 0 418.990 4.418 40 0 HIABRN Cc1cc(C)cc(N(CC(=O)NCC2CCCCC2)S(=O)(=O)c2ccccc2)c1 ZINC000223471035 568549879 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HIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1 ZINC000223592492 568552657 /nfs/dbraw/zinc/55/26/57/568552657.db2.gz VSTUCGLJOFKNNL-HSZRJFAPSA-N 0 0 410.558 4.406 40 0 HIABRN OCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000223630522 568554098 /nfs/dbraw/zinc/55/40/98/568554098.db2.gz HLWHMMUTJXFHFC-UXHICEINSA-N 0 0 413.930 4.350 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223639794 568554477 /nfs/dbraw/zinc/55/44/77/568554477.db2.gz ZBPLAWDZGXIFAD-QGZVFWFLSA-N 0 0 418.990 4.435 40 0 HIABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(F)cc1 ZINC000223699676 568556587 /nfs/dbraw/zinc/55/65/87/568556587.db2.gz PWNNOYRKGAPGBK-JOCHJYFZSA-N 0 0 414.521 4.237 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1c(F)cccc1Cl ZINC000223725685 568557494 /nfs/dbraw/zinc/55/74/94/568557494.db2.gz NACQSWDRUHPICR-CYBMUJFWSA-N 0 0 411.304 4.228 40 0 HIABRN COc1ccc(S(=O)(=O)N(C)Cc2cccc(Oc3ccccc3)c2)cc1OC ZINC000223727601 568557549 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CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(C)cc1 ZINC000223773615 568558712 /nfs/dbraw/zinc/55/87/12/568558712.db2.gz XYHDDRCATPNSNM-KRWDZBQOSA-N 0 0 402.535 4.170 40 0 HIABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccccc1 ZINC000223779429 568558868 /nfs/dbraw/zinc/55/88/68/568558868.db2.gz AMANWUGCCZIJQL-MRXNPFEDSA-N 0 0 404.963 4.376 40 0 HIABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1 ZINC000223786912 568559125 /nfs/dbraw/zinc/55/91/25/568559125.db2.gz VINAEPZMTZTJLE-HNNXBMFYSA-N 0 0 413.470 4.098 40 0 HIABRN Cc1cccc(CN(C(=O)COc2cc(C)cc(C)c2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223805073 568559507 /nfs/dbraw/zinc/55/95/07/568559507.db2.gz MJLGDVFEBNBYID-NRFANRHFSA-N 0 0 422.569 4.467 40 0 HIABRN Cc1ccc(CN(C(=O)COc2cc(C)ccc2C)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000223812326 568559730 /nfs/dbraw/zinc/55/97/30/568559730.db2.gz IWFHGXAGHOBNEY-NRFANRHFSA-N 0 0 422.569 4.467 40 0 HIABRN C[C@@H](CNC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)c1ccccc1 ZINC000223824563 568560011 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CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2ccc(OC)nc2)n1 ZINC000072390664 521543470 /nfs/dbraw/zinc/54/34/70/521543470.db2.gz SXURJRVQXSAHOG-HXUWFJFHSA-N 0 0 417.513 4.262 40 0 HIABRN CCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)[C@H]2C[C@H]2C)CC1 ZINC000072345211 521733466 /nfs/dbraw/zinc/73/34/66/521733466.db2.gz UJRGZIDGHJWMBG-GCJKJVERSA-N 0 0 422.544 4.436 40 0 HIABRN CCc1nn2c(ncc3c2ccn(-c2ccncc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000019821301 522711843 /nfs/dbraw/zinc/71/18/43/522711843.db2.gz LSOOPRHJWCJVHQ-UHFFFAOYSA-N 0 0 401.857 4.311 40 0 HIABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000020454414 522883554 /nfs/dbraw/zinc/88/35/54/522883554.db2.gz DDYHHEAVHGXGOR-RXVVDRJESA-N 0 0 410.514 4.008 40 0 HIABRN CC[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C)c1ccc(OC)cc1 ZINC000225712916 522904922 /nfs/dbraw/zinc/90/49/22/522904922.db2.gz DQHRZFPVFCWCBA-QGZVFWFLSA-N 0 0 420.556 4.082 40 0 HIABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000020486558 523080901 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CCN(CC)C(=O)CSc1nnc(COc2ccc(C)cc2)n1-c1ccccc1 ZINC000016789336 558807109 /nfs/dbraw/zinc/80/71/09/558807109.db2.gz BVYQGDGVOGYPFG-UHFFFAOYSA-N 0 0 410.543 4.115 40 0 HIABRN COc1ccc(OCCCn2cc(-c3ccc(Cl)c(Cl)c3)c(N)nc2=O)cc1 ZINC000017039824 558812367 /nfs/dbraw/zinc/81/23/67/558812367.db2.gz XMQMZWRWTWSINE-UHFFFAOYSA-N 0 0 420.296 4.277 40 0 HIABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000038772262 558815321 /nfs/dbraw/zinc/81/53/21/558815321.db2.gz KVLCVAFCMIARPO-QFIPXVFZSA-N 0 0 417.509 4.425 40 0 HIABRN CCCCOC(=O)c1ccc(NC(=O)CSc2ccc(OC)c(OC)c2)cc1 ZINC000038772648 558815442 /nfs/dbraw/zinc/81/54/42/558815442.db2.gz GXRJOPOWRRSOFU-UHFFFAOYSA-N 0 0 403.500 4.392 40 0 HIABRN O=C(NC1C2CC3CC(C2)CC1C3)c1cc(I)ccc1Cl ZINC000017090408 558819030 /nfs/dbraw/zinc/81/90/30/558819030.db2.gz NFCXQPHYJDNVEC-UHFFFAOYSA-N 0 0 415.702 4.499 40 0 HIABRN O=C(Cc1ccccc1)N1CCC2(CC1)CC(=O)c1cc(Br)ccc1O2 ZINC000039226617 558820058 /nfs/dbraw/zinc/82/00/58/558820058.db2.gz 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Cc1nc(Cn2c(C)nc3ccccc3c2=O)cc(NCCCc2ccc(F)cc2)n1 ZINC000019655842 558949067 /nfs/dbraw/zinc/94/90/67/558949067.db2.gz RVONCVVILMVPMA-UHFFFAOYSA-N 0 0 417.488 4.035 40 0 HIABRN Cc1nc(NCCCc2ccc(F)cc2)cc([C@@H](C)n2ncc3ccccc3c2=O)n1 ZINC000019655838 558949077 /nfs/dbraw/zinc/94/90/77/558949077.db2.gz ZIDIUZVZVUTCDW-MRXNPFEDSA-N 0 0 417.488 4.288 40 0 HIABRN CC[C@H](c1ccc(F)cc1)n1cc(C(=O)Nc2nc(-c3ccccn3)cs2)nn1 ZINC000019656071 558949253 /nfs/dbraw/zinc/94/92/53/558949253.db2.gz DLWKKVREEKHFLC-GOSISDBHSA-N 0 0 408.462 4.187 40 0 HIABRN Cc1cccc(Nc2ccc([C@@H]3CCCN3C(=O)CCc3nnc(C(C)C)o3)nc2)n1 ZINC000072353244 558950169 /nfs/dbraw/zinc/95/01/69/558950169.db2.gz LNXAXGLUGUENHS-IBGZPJMESA-N 0 0 420.517 4.331 40 0 HIABRN CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)Cn1c(=O)oc2ccc(Cl)cc21 ZINC000019659863 558951169 /nfs/dbraw/zinc/95/11/69/558951169.db2.gz XFYGLIOTGRKOHK-ZDUSSCGKSA-N 0 0 412.877 4.056 40 0 HIABRN COc1ccc(-c2nc(C(=O)N(C)Cc3nnc(-c4ccccc4)o3)cs2)cc1 ZINC000019660248 558951398 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HIABRN CNC(=O)[C@]1(c2cccc(C)n2)CCCN1Cc1cccc(OCc2ccccc2)c1 ZINC000257301686 559286038 /nfs/dbraw/zinc/28/60/38/559286038.db2.gz RZKKNRHMEWPZBL-AREMUKBSSA-N 0 0 415.537 4.206 40 0 HIABRN CC(=O)N1CCN(Cc2ccccc2OCc2cccnc2)C[C@@H]1c1ccccc1 ZINC000257302186 559286102 /nfs/dbraw/zinc/28/61/02/559286102.db2.gz SBVOCUVIVZYLHU-XMMPIXPASA-N 0 0 401.510 4.066 40 0 HIABRN O=C(CSc1nnc2c3c4c(sc3ncn12)CCCC4)Nc1ccc(F)cc1 ZINC000000870466 559293308 /nfs/dbraw/zinc/29/33/08/559293308.db2.gz BYTVXZFBZFZYGI-UHFFFAOYSA-N 0 0 413.503 4.088 40 0 HIABRN O=C([O-])C[C@@H]1CC[N@H+](CCCc2ccccc2)C[C@@H]1Cc1nc2cc(F)ccc2[nH]1 ZINC000514289595 560032208 /nfs/dbraw/zinc/03/22/08/560032208.db2.gz WBSKAKMINJHGJA-OALUTQOASA-N 0 0 409.505 4.290 40 0 biogenic,in-vitro HIABRN Cc1cc(OCc2nnc(SCC(=O)N3[C@H](C)CCC[C@H]3C)o2)ccc1Cl ZINC000000876099 560537326 /nfs/dbraw/zinc/53/73/26/560537326.db2.gz YFHFHMQSGRWVBO-ZIAGYGMSSA-N 0 0 409.939 4.492 40 0 HIABRN CCOC(=O)Cc1csc(NC(=O)CSc2nc3ccc(C)cc3cc2C)n1 ZINC000000881317 560539869 /nfs/dbraw/zinc/53/98/69/560539869.db2.gz MPTQJMFHUYJHLN-UHFFFAOYSA-N 0 0 415.540 4.145 40 0 HIABRN Cc1ccc2cc(CN(C3CCCC3)S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000000913830 560546608 /nfs/dbraw/zinc/54/66/08/560546608.db2.gz IORXIEGTLDIHOD-UHFFFAOYSA-N 0 0 414.502 4.109 40 0 HIABRN O=C(c1cc2ccccc2[nH]1)N1CCC2(CC1)OCC[C@@H]2CCOCc1ccccn1 ZINC000575402866 560546891 /nfs/dbraw/zinc/54/68/91/560546891.db2.gz DLCKSGAGKUCGCE-FQEVSTJZSA-N 0 0 419.525 4.181 40 0 HIABRN Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3ccccc3)cc2c1 ZINC000000914429 560547342 /nfs/dbraw/zinc/54/73/42/560547342.db2.gz RFLKFXRICDUDLF-UHFFFAOYSA-N 0 0 422.506 4.129 40 0 HIABRN C[C@@H](NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)c1ccccc1 ZINC000000918133 560554304 /nfs/dbraw/zinc/55/43/04/560554304.db2.gz PAXLNIRETVYTNZ-GFCCVEGCSA-N 0 0 400.360 4.499 40 0 HIABRN Cc1cccc2nc(NC(=O)C=Cc3ccc(CC(=O)c4ccn(C)n4)cc3)sc21 ZINC000001085135 560555759 /nfs/dbraw/zinc/55/57/59/560555759.db2.gz PZYMBDCGNNBNFP-ZHACJKMWSA-N 0 0 416.506 4.416 40 0 HIABRN O=C(CSc1nnc(-c2ccncc2)n1C1CCCCC1)NCc1ccccc1 ZINC000000924479 560556526 /nfs/dbraw/zinc/55/65/26/560556526.db2.gz OTZUUQHCHAEFTD-UHFFFAOYSA-N 0 0 407.543 4.254 40 0 HIABRN Cc1ccc2cc(CN(Cc3nnnn3C3CCCC3)C3CCCCC3)c(=O)[nH]c2c1 ZINC000000926107 560556862 /nfs/dbraw/zinc/55/68/62/560556862.db2.gz PAIGCBDGPINWIN-UHFFFAOYSA-N 0 0 420.561 4.273 40 0 HIABRN COc1ccc(C(=O)CSc2nnc3c4c5c(sc4ncn23)C[C@H](C)CC5)cc1 ZINC000000929571 560557588 /nfs/dbraw/zinc/55/75/88/560557588.db2.gz AVISJLHZLOSYGQ-GFCCVEGCSA-N 0 0 424.551 4.447 40 0 HIABRN COc1cc(NC(=O)CSc2nc3cc4c(cc3cc2C)OCO4)cc(OC)c1 ZINC000000930033 560557742 /nfs/dbraw/zinc/55/77/42/560557742.db2.gz PLFZNFVZWBWQAO-UHFFFAOYSA-N 0 0 412.467 4.020 40 0 HIABRN COC(=O)c1cccc(NC(=O)c2sc3nc4ccc(OC)cc4cc3c2N)c1 ZINC000000933870 560559236 /nfs/dbraw/zinc/55/92/36/560559236.db2.gz LTJBHEGCSIAFND-UHFFFAOYSA-N 0 0 407.451 4.079 40 0 HIABRN CC(=O)N1c2ccc(-c3nc(NC(=O)COc4ccccc4)sc3C)cc2C[C@H]1C ZINC000001238074 560572774 /nfs/dbraw/zinc/57/27/74/560572774.db2.gz PRDIUPIFKYGZCV-CQSZACIVSA-N 0 0 421.522 4.434 40 0 HIABRN CCc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=O)Nc3ccc(F)cc3)cc2c1 ZINC000001327126 560573440 /nfs/dbraw/zinc/57/34/40/560573440.db2.gz RBQDNPCWWYYIEL-OAQYLSRUSA-N 0 0 423.488 4.443 40 0 HIABRN CC(C)OC(=O)CSc1nnc2c3c4c(sc3nc(C3CC3)n12)C[C@H](C)CC4 ZINC000001339611 560575303 /nfs/dbraw/zinc/57/53/03/560575303.db2.gz RIVQMPOUWNOENG-LLVKDONJSA-N 0 0 416.572 4.385 40 0 HIABRN CC(C)(C)c1nc2ccccc2c(SCC(=O)N2CC(=O)Nc3ccccc32)n1 ZINC000001342549 560575940 /nfs/dbraw/zinc/57/59/40/560575940.db2.gz TYKKFLAYESJWIR-UHFFFAOYSA-N 0 0 406.511 4.005 40 0 HIABRN O=C(Nc1ccccc1-c1ccccc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000001345901 560576301 /nfs/dbraw/zinc/57/63/01/560576301.db2.gz QDTCPBQALVQMOA-FQEVSTJZSA-N 0 0 420.534 4.393 40 0 HIABRN Cc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2csnn2)c2ccccc2)c1 ZINC000001357080 560577680 /nfs/dbraw/zinc/57/76/80/560577680.db2.gz FAGYWSXIZDNCNN-NRFANRHFSA-N 0 0 420.538 4.293 40 0 HIABRN Cc1ccc(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)c(Cl)c3)C2)c1 ZINC000001363616 560579595 /nfs/dbraw/zinc/57/95/95/560579595.db2.gz FIWNQMBXHQWLIM-KRWDZBQOSA-N 0 0 420.962 4.305 40 0 HIABRN Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H](c2nc(-c3cccs3)no2)C1 ZINC000001364266 560579797 /nfs/dbraw/zinc/57/97/97/560579797.db2.gz XJFNDDFMLIYVJD-CYBMUJFWSA-N 0 0 423.947 4.328 40 0 HIABRN CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)c3ccco3)cc2c1 ZINC000001366984 560580585 /nfs/dbraw/zinc/58/05/85/560580585.db2.gz LAMHVEPTIUIFOA-UHFFFAOYSA-N 0 0 416.477 4.405 40 0 HIABRN Cc1cccc2c(SCC(=O)NC[C@@H]3CCCO3)nc(-c3ccc(F)cc3)nc12 ZINC000001367392 560580708 /nfs/dbraw/zinc/58/07/08/560580708.db2.gz CEZNOHQWEHKPJP-KRWDZBQOSA-N 0 0 411.502 4.132 40 0 HIABRN Cc1cccc2cc(CN(C(=O)c3ccc(F)cc3)C3CCCC3)c3nnnn3c12 ZINC000001376719 560581483 /nfs/dbraw/zinc/58/14/83/560581483.db2.gz CABQFVSYZPMXKA-UHFFFAOYSA-N 0 0 403.461 4.310 40 0 HIABRN Cc1cccc(NC(=S)N(CCCO)Cc2cc3cc(C)cc(C)c3[nH]c2=O)c1 ZINC000004128328 560599249 /nfs/dbraw/zinc/59/92/49/560599249.db2.gz IEYRLIMSSSVHDY-UHFFFAOYSA-N 0 0 409.555 4.035 40 0 HIABRN Cc1cccc2cc(CN(CCCO)C(=S)Nc3cccc(Cl)c3)c(=O)[nH]c12 ZINC000004131785 560599726 /nfs/dbraw/zinc/59/97/26/560599726.db2.gz VARVREHPOXTFJP-UHFFFAOYSA-N 0 0 415.946 4.071 40 0 HIABRN COCCCNC(=S)N(Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000004131880 560599780 /nfs/dbraw/zinc/59/97/80/560599780.db2.gz NKILRRRNSYPEHZ-UHFFFAOYSA-N 0 0 423.582 4.058 40 0 HIABRN CCCCNC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1 ZINC000004160451 560601368 /nfs/dbraw/zinc/60/13/68/560601368.db2.gz UKSAGRRJJSEACF-UHFFFAOYSA-N 0 0 415.559 4.066 40 0 HIABRN O=C(CN(Cc1cccs1)C(=O)c1ccc(-c2ccccc2)[nH]1)NC1CCCC1 ZINC000004161197 560601813 /nfs/dbraw/zinc/60/18/13/560601813.db2.gz RRXQKDXNPSEBJM-UHFFFAOYSA-N 0 0 407.539 4.444 40 0 HIABRN CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(C)c(C)c2[nH]c1=O)N1CCC[C@H](C)C1 ZINC000004161777 560601950 /nfs/dbraw/zinc/60/19/50/560601950.db2.gz PKMBOXDYUVSEEH-BTYIYWSLSA-N 0 0 422.577 4.098 40 0 HIABRN Cc1ccc(C)c(NC(=S)N(CCCO)Cc2cc3ccc(C)c(C)c3[nH]c2=O)c1 ZINC000004161957 560602063 /nfs/dbraw/zinc/60/20/63/560602063.db2.gz MNMHPWXUNKZSCJ-UHFFFAOYSA-N 0 0 423.582 4.343 40 0 HIABRN CCc1nc2sc(C)c(C)c2c(SCC(=O)NCc2ccc3c(c2)OCO3)n1 ZINC000004241057 560603475 /nfs/dbraw/zinc/60/34/75/560603475.db2.gz DLFPLYPNULRJCY-UHFFFAOYSA-N 0 0 415.540 4.008 40 0 HIABRN COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)C2CC2)c1 ZINC000004847981 560609556 /nfs/dbraw/zinc/60/95/56/560609556.db2.gz KLZKKRIDZAKGJP-JOCHJYFZSA-N 0 0 412.555 4.090 40 0 HIABRN COc1ccc(NC(=O)NCCNc2nc(C)nc3sc4c(c32)CCCC4)cc1 ZINC000004848580 560610252 /nfs/dbraw/zinc/61/02/52/560610252.db2.gz CTJZKSUMCPNTNQ-UHFFFAOYSA-N 0 0 411.531 4.121 40 0 HIABRN O=S(=O)(NCc1ccccc1)c1ccc(Nc2ccc(-c3ccccc3)nn2)cc1 ZINC000004859032 560612664 /nfs/dbraw/zinc/61/26/64/560612664.db2.gz JECXULINBMVAGL-UHFFFAOYSA-N 0 0 416.506 4.366 40 0 HIABRN Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2F)n1Cc1ccco1 ZINC000004860637 560613490 /nfs/dbraw/zinc/61/34/90/560613490.db2.gz BZVYWJOWPSFKOV-UHFFFAOYSA-N 0 0 412.446 4.358 40 0 HIABRN C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1 ZINC000004860989 560613664 /nfs/dbraw/zinc/61/36/64/560613664.db2.gz SUGYJJLMJVJCGE-ROUUACIJSA-N 0 0 421.570 4.270 40 0 HIABRN CCOc1ccccc1C(=O)NC1CCN(C(=S)Nc2ccc(Cl)cc2)CC1 ZINC000004888646 560615000 /nfs/dbraw/zinc/61/50/00/560615000.db2.gz DOAIDGHAIFULFX-UHFFFAOYSA-N 0 0 417.962 4.330 40 0 HIABRN CCC(=O)Nc1nnc(SCC(=O)N(C2CCCCC2)C2CCCCC2)s1 ZINC000004905689 560617658 /nfs/dbraw/zinc/61/76/58/560617658.db2.gz BWDJCZFUAMNEOB-UHFFFAOYSA-N 0 0 410.609 4.473 40 0 HIABRN Cn1c(CNC(=O)C2(c3cccc(F)c3)CCCC2)nnc1SCc1ccccc1 ZINC000005001725 560620220 /nfs/dbraw/zinc/62/02/20/560620220.db2.gz LJHLQIBAKXUNSM-UHFFFAOYSA-N 0 0 424.545 4.375 40 0 HIABRN Cn1c(C(=O)O[C@H](C(=O)NCc2ccccc2)c2ccccc2)cc2sccc21 ZINC000004967047 560621943 /nfs/dbraw/zinc/62/19/43/560621943.db2.gz VVZHLXSMATYCEA-NRFANRHFSA-N 0 0 404.491 4.454 40 0 HIABRN Cc1cc(C)nc(N2CCC[C@H](C(=O)NCC(c3ccccc3)c3ccccc3)C2)n1 ZINC000004967828 560622114 /nfs/dbraw/zinc/62/21/14/560622114.db2.gz OASXGGSGEFNKAV-QHCPKHFHSA-N 0 0 414.553 4.258 40 0 HIABRN CCC(=O)Nc1ccc(C(=O)CSc2nnc3c(n2)[C@@]2(C)CC[C@@H]3C2(C)C)cc1 ZINC000005060069 560624118 /nfs/dbraw/zinc/62/41/18/560624118.db2.gz SMWWPLLULOVTKJ-OYHNWAKOSA-N 0 0 410.543 4.370 40 0 HIABRN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc3c(c1)OCO3)S[C@@H](C)C(=O)N2 ZINC000006679061 560633263 /nfs/dbraw/zinc/63/32/63/560633263.db2.gz JVFHPSUJUYKQEX-XOBRGWDASA-N 0 0 407.495 4.381 40 0 HIABRN Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1ccc3c(c1)OCO3)S[C@H](C)C(=O)N2 ZINC000006679222 560633446 /nfs/dbraw/zinc/63/34/46/560633446.db2.gz XPZAVUXUDVPJCR-BLVKFPJESA-N 0 0 411.458 4.212 40 0 HIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@H]3c2ccccc2OC)cc1 ZINC000006679302 560633464 /nfs/dbraw/zinc/63/34/64/560633464.db2.gz YHWKAOYDZZABFK-XOBRGWDASA-N 0 0 409.511 4.361 40 0 HIABRN COc1ccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@@H]3c2ccccc2OC)cc1 ZINC000006679297 560633479 /nfs/dbraw/zinc/63/34/79/560633479.db2.gz YHWKAOYDZZABFK-VBKZILBWSA-N 0 0 409.511 4.361 40 0 HIABRN CCOC(=O)c1ccccc1NC(=O)CSCc1cccc(Br)c1 ZINC000408772830 560639231 /nfs/dbraw/zinc/63/92/31/560639231.db2.gz IGEXIMSDLUSXCI-UHFFFAOYSA-N 0 0 408.317 4.498 40 0 HIABRN O=Cc1cc(Br)c(OCc2ccccc2)c(I)c1 ZINC000408843301 560646728 /nfs/dbraw/zinc/64/67/28/560646728.db2.gz FHFQASGPVAHYJS-UHFFFAOYSA-N 0 0 417.040 4.445 40 0 HIABRN O=C(CSCc1cccc(Br)c1)NCCSCc1ccco1 ZINC000408925560 560654651 /nfs/dbraw/zinc/65/46/51/560654651.db2.gz UVJVHUAHMFIGDH-UHFFFAOYSA-N 0 0 400.363 4.325 40 0 HIABRN CSc1ccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 ZINC000408929027 560655287 /nfs/dbraw/zinc/65/52/87/560655287.db2.gz OXRBZPVRNRRJHP-MHWRWJLKSA-N 0 0 403.301 4.264 40 0 HIABRN Cc1cc(OCC(=O)N2NC3=C(CCCCC3)[C@]2(O)C(F)(F)F)ccc1Cl ZINC000408956517 560657878 /nfs/dbraw/zinc/65/78/78/560657878.db2.gz QSUWBCYBHAUEGU-GUYCJALGSA-N 0 0 404.816 4.057 40 0 HIABRN COc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(Cl)c3C)CC2)cc1OC ZINC000408971639 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Cc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc4c(c3)CCCC4)n2)cc1 ZINC000223617020 568553511 /nfs/dbraw/zinc/55/35/11/568553511.db2.gz MOLMDZJZQZTUNH-KRWDZBQOSA-N 0 0 405.498 4.350 40 0 HIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 ZINC000223633185 568554258 /nfs/dbraw/zinc/55/42/58/568554258.db2.gz OQXOLXAQYMSWNA-JOCHJYFZSA-N 0 0 410.558 4.350 40 0 HIABRN Cc1cc(OCC(=O)Nc2nnc(-c3ccccc3)s2)ccc1Br ZINC000223636337 568554315 /nfs/dbraw/zinc/55/43/15/568554315.db2.gz DBTZMSHRLOZKSB-UHFFFAOYSA-N 0 0 404.289 4.294 40 0 HIABRN Cc1c(C)n(-c2ccccc2)c(C)c1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCCO ZINC000223635895 568554319 /nfs/dbraw/zinc/55/43/19/568554319.db2.gz NTVQUIHPBBPALC-DHIUTWEWSA-N 0 0 420.582 4.152 40 0 HIABRN CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CC ZINC000223636151 568554363 /nfs/dbraw/zinc/55/43/63/568554363.db2.gz DAOXEBGZIYMSEZ-IBGZPJMESA-N 0 0 407.341 4.479 40 0 HIABRN CSc1ccc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1NC(=O)C(C)C ZINC000223648141 568554852 /nfs/dbraw/zinc/55/48/52/568554852.db2.gz NTHILYGBWGPFBB-GOSISDBHSA-N 0 0 418.584 4.359 40 0 HIABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C ZINC000223655238 568555130 /nfs/dbraw/zinc/55/51/30/568555130.db2.gz VIFCIHOOAPATHG-JOCHJYFZSA-N 0 0 410.558 4.406 40 0 HIABRN CCCC[C@H](CC)CNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000223663903 568555405 /nfs/dbraw/zinc/55/54/05/568555405.db2.gz FOWIXQYKSMPXIZ-ZDUSSCGKSA-N 0 0 409.379 4.092 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)(C)C ZINC000223680573 568555995 /nfs/dbraw/zinc/55/59/95/568555995.db2.gz NRLXFZDYWOIEFO-LJQANCHMSA-N 0 0 410.558 4.225 40 0 HIABRN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC)c3ccc(C)c(C)c3)ccc21 ZINC000223715455 568557192 /nfs/dbraw/zinc/55/71/92/568557192.db2.gz KMMREUQATSHKEX-FQEVSTJZSA-N 0 0 400.544 4.032 40 0 HIABRN CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000223730552 568557550 /nfs/dbraw/zinc/55/75/50/568557550.db2.gz ZTKVKPAUAHCRIG-UHFFFAOYSA-N 0 0 410.495 4.258 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 ZINC000223727526 568557585 /nfs/dbraw/zinc/55/75/85/568557585.db2.gz YNXJTJXSCJNBOP-INIZCTEOSA-N 0 0 404.963 4.294 40 0 HIABRN COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 ZINC000223735731 568557674 /nfs/dbraw/zinc/55/76/74/568557674.db2.gz KZRFNJUTQGWOMD-FCHUYYIVSA-N 0 0 421.522 4.267 40 0 HIABRN CCc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000223826477 568560078 /nfs/dbraw/zinc/56/00/78/568560078.db2.gz OYBXFIYGGWIPGE-OAHLLOKOSA-N 0 0 420.962 4.178 40 0 HIABRN Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccn2)cc1 ZINC000223844755 568560687 /nfs/dbraw/zinc/56/06/87/568560687.db2.gz GKCHVHULEFRHSC-FCHUYYIVSA-N 0 0 413.506 4.150 40 0 HIABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccccc1 ZINC000223844236 568560715 /nfs/dbraw/zinc/56/07/15/568560715.db2.gz LAMAGWQSUCKKEG-QGZVFWFLSA-N 0 0 402.535 4.002 40 0 HIABRN Cc1cc(O[C@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc(C)c1Cl ZINC000223855756 568561054 /nfs/dbraw/zinc/56/10/54/568561054.db2.gz BJBYSQPIXOBBBM-HUUCEWRRSA-N 0 0 409.935 4.005 40 0 HIABRN CC(C)(C)CC(C)(C)NC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000223874721 568561511 /nfs/dbraw/zinc/56/15/11/568561511.db2.gz TXDVMTNKQHNMSX-UHFFFAOYSA-N 0 0 409.379 4.090 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1cccc(C)c1 ZINC000223874877 568561545 /nfs/dbraw/zinc/56/15/45/568561545.db2.gz ZANURIZVYRCJMT-HNNXBMFYSA-N 0 0 423.340 4.234 40 0 HIABRN C[C@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000223894699 568562331 /nfs/dbraw/zinc/56/23/31/568562331.db2.gz HMPNVUJNYROTRF-LBPRGKRZSA-N 0 0 400.327 4.207 40 0 HIABRN COC(=O)c1cccc(S(=O)(=O)N(C)Cc2cccc(Oc3ccccc3)c2)c1 ZINC000223894681 568562398 /nfs/dbraw/zinc/56/23/98/568562398.db2.gz JVTFMKYZOJXGKF-UHFFFAOYSA-N 0 0 411.479 4.086 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(F)cc1 ZINC000223919466 568562894 /nfs/dbraw/zinc/56/28/94/568562894.db2.gz YGEBUHLZRMYAEW-ZDUSSCGKSA-N 0 0 411.304 4.228 40 0 HIABRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H](C)c3ccccc3)cc2)cc1 ZINC000223930451 568563266 /nfs/dbraw/zinc/56/32/66/568563266.db2.gz JQLOBDWWKIMGRS-GOSISDBHSA-N 0 0 408.523 4.329 40 0 HIABRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)[nH]c2C)cc1 ZINC000223961622 568564623 /nfs/dbraw/zinc/56/46/23/568564623.db2.gz IQSBMXFBQPCJGI-SFTDATJTSA-N 0 0 405.527 4.162 40 0 HIABRN O=C(N[C@@H]1CCCc2ccccc21)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000223967108 568564784 /nfs/dbraw/zinc/56/47/84/568564784.db2.gz YIRZTGANPRNFIY-JOCHJYFZSA-N 0 0 424.497 4.434 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000223992677 568565523 /nfs/dbraw/zinc/56/55/23/568565523.db2.gz LFZJJAIODAVSKQ-LJQANCHMSA-N 0 0 424.585 4.479 40 0 HIABRN CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(NC(C)=O)cc1 ZINC000223994361 568565672 /nfs/dbraw/zinc/56/56/72/568565672.db2.gz LELXCJQPLZEUDF-LEWJYISDSA-N 0 0 405.527 4.039 40 0 HIABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(C)cc3)cc2C)cc1 ZINC000224011338 568566258 /nfs/dbraw/zinc/56/62/58/568566258.db2.gz COLSKEXQCAUFCN-UHFFFAOYSA-N 0 0 424.522 4.043 40 0 HIABRN O=C(NCCCc1ccco1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000224016548 568566540 /nfs/dbraw/zinc/56/65/40/568566540.db2.gz OTBOMRWIJWTSFI-UHFFFAOYSA-N 0 0 418.902 4.096 40 0 HIABRN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCCC3)c(Cl)c2)cc1 ZINC000224023022 568566632 /nfs/dbraw/zinc/56/66/32/568566632.db2.gz NHJIKUYWPZKWQL-UHFFFAOYSA-N 0 0 422.934 4.166 40 0 HIABRN S=C(Nc1ncc(Br)nc1Br)NC1CCCCCC1 ZINC000224041439 568567359 /nfs/dbraw/zinc/56/73/59/568567359.db2.gz VWECYJLLHIJRBB-UHFFFAOYSA-N 0 0 408.163 4.011 40 0 HIABRN COc1ccc(S(=O)(=O)Nc2cc(C(=O)NC3CCCCCC3)ccc2C)cc1 ZINC000224060114 568568139 /nfs/dbraw/zinc/56/81/39/568568139.db2.gz LTMPCFWYCXXJOU-UHFFFAOYSA-N 0 0 416.543 4.257 40 0 HIABRN CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1cc(C)ccc1C ZINC000224064620 568568292 /nfs/dbraw/zinc/56/82/92/568568292.db2.gz OBLIWTAQYQQCMU-QHCPKHFHSA-N 0 0 424.585 4.448 40 0 HIABRN CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccc(C)cc1C ZINC000224073551 568568548 /nfs/dbraw/zinc/56/85/48/568568548.db2.gz VEWIDOIAXZGUII-HSZRJFAPSA-N 0 0 424.585 4.448 40 0 HIABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)COc1ccccc1Cl ZINC000224076228 568568649 /nfs/dbraw/zinc/56/86/49/568568649.db2.gz IUKXYCJNLIJAMI-OAHLLOKOSA-N 0 0 420.912 4.190 40 0 HIABRN Cc1cc(C)cc(OCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000224074246 568568666 /nfs/dbraw/zinc/56/86/66/568568666.db2.gz SOQXENSCKHBOJU-SFHVURJKSA-N 0 0 414.521 4.153 40 0 HIABRN COc1ccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 ZINC000224076544 568568838 /nfs/dbraw/zinc/56/88/38/568568838.db2.gz UGAKMCXFLJIMNO-FQEVSTJZSA-N 0 0 422.569 4.331 40 0 HIABRN Cc1ccc(OCCCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224097440 568569749 /nfs/dbraw/zinc/56/97/49/568569749.db2.gz HUPPCCRKECQIPS-NRFANRHFSA-N 0 0 410.558 4.344 40 0 HIABRN CN(Cc1cccs1)C(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000224104059 568570061 /nfs/dbraw/zinc/57/00/61/568570061.db2.gz WBSXCLLOWFPLES-UHFFFAOYSA-N 0 0 420.943 4.475 40 0 HIABRN Cc1ccc(C)c(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 ZINC000224105230 568570077 /nfs/dbraw/zinc/57/00/77/568570077.db2.gz WISSNMTVLQKIKJ-OAQYLSRUSA-N 0 0 406.570 4.365 40 0 HIABRN COc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 ZINC000224108014 568570257 /nfs/dbraw/zinc/57/02/57/568570257.db2.gz BMFJVQVTYLLYGS-KRWDZBQOSA-N 0 0 424.522 4.011 40 0 HIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1cccc2ccccc21 ZINC000224124465 568570873 /nfs/dbraw/zinc/57/08/73/568570873.db2.gz AZRKWRIMSLJANU-QFIPXVFZSA-N 0 0 404.510 4.162 40 0 HIABRN Cc1ccccc1CN(C(=O)Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCC(C)C ZINC000224129552 568570982 /nfs/dbraw/zinc/57/09/82/568570982.db2.gz ZNQZHGXYPFUCQX-GOSISDBHSA-N 0 0 400.950 4.380 40 0 HIABRN Cc1ccccc1CN(C(=O)Cc1ccccc1Cl)[C@@H](C)C(=O)NCC(C)C ZINC000224141881 568571398 /nfs/dbraw/zinc/57/13/98/568571398.db2.gz PXOHDCFYMGFOKA-SFHVURJKSA-N 0 0 400.950 4.380 40 0 HIABRN COc1ccccc1[C@@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C ZINC000224152773 568571656 /nfs/dbraw/zinc/57/16/56/568571656.db2.gz OTPVZBVWBQFCGI-QGZVFWFLSA-N 0 0 424.522 4.295 40 0 HIABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)COc1ccccc1 ZINC000224154950 568571815 /nfs/dbraw/zinc/57/18/15/568571815.db2.gz IWEOJLWBXCDOPM-QHCPKHFHSA-N 0 0 408.542 4.240 40 0 HIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCCOc1ccc(C)cc1 ZINC000224166034 568572129 /nfs/dbraw/zinc/57/21/29/568572129.db2.gz VCNDYPQXXDKPIH-QHCPKHFHSA-N 0 0 410.558 4.406 40 0 HIABRN Cc1cccc(CN(C(=O)COc2ccc(C)cc2C)[C@H](C)C(=O)NCC(C)C)c1 ZINC000224173472 568572544 /nfs/dbraw/zinc/57/25/44/568572544.db2.gz KHJNKXMLFIRNNG-OAQYLSRUSA-N 0 0 410.558 4.180 40 0 HIABRN CCOc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000224189864 568573077 /nfs/dbraw/zinc/57/30/77/568573077.db2.gz MAHFLGQHBBMTDO-UHFFFAOYSA-N 0 0 424.522 4.471 40 0 HIABRN Cc1cccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)c(C)c2)c1 ZINC000224197250 568573378 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408.951 4.152 40 0 HIABRN CCc1ccc(-n2cnc3nc(N4c5ccccc5C[C@H]4C)[nH]c(=O)c3c2=S)cc1 ZINC000040385776 523867089 /nfs/dbraw/zinc/86/70/89/523867089.db2.gz NSLQMUOZCYXSDV-CQSZACIVSA-N 0 0 415.522 4.483 40 0 HIABRN COc1ccc(C2=NN(C(=O)c3ccc(C(C)(C)C)cc3)[C@](O)(C(F)(F)F)C2)cc1 ZINC000032101005 523877122 /nfs/dbraw/zinc/87/71/22/523877122.db2.gz YHLZRJJTFPZASY-OAQYLSRUSA-N 0 0 420.431 4.494 40 0 HIABRN COc1ccc(CCC(=O)N2CCC[C@@H]2c2nc(N)ncc2-c2cccc(F)c2)cc1 ZINC000072354772 523918488 /nfs/dbraw/zinc/91/84/88/523918488.db2.gz OAUPRDPHDUUPMX-OAQYLSRUSA-N 0 0 420.488 4.170 40 0 HIABRN CCc1ccc(NC(=O)Cc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000225980610 523976778 /nfs/dbraw/zinc/97/67/78/523976778.db2.gz OBKFQAGZETYDDA-UHFFFAOYSA-N 0 0 408.523 4.255 40 0 HIABRN COc1ccc(CNC(=O)CSCc2ccc(Br)cc2)cc1OC ZINC000020107590 524053373 /nfs/dbraw/zinc/05/33/73/524053373.db2.gz KRTQZJQVXYGLIU-UHFFFAOYSA-N 0 0 410.333 4.016 40 0 HIABRN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc4ccccc43)C2)c1 ZINC000225922017 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O=c1c2ccccc2nc(-c2ccc(-c3ccccc3)cc2)n1CCN1CCOCC1 ZINC000013637362 558554778 /nfs/dbraw/zinc/55/47/78/558554778.db2.gz DKJUMMCAQMQYON-UHFFFAOYSA-N 0 0 411.505 4.063 40 0 HIABRN C[C@@H]1CCCN(C(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)C1 ZINC000013648076 558557408 /nfs/dbraw/zinc/55/74/08/558557408.db2.gz CCHJDOLPOJZZBN-MRXNPFEDSA-N 0 0 420.962 4.178 40 0 HIABRN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3ccccc3F)c2)cc1 ZINC000023484350 558559738 /nfs/dbraw/zinc/55/97/38/558559738.db2.gz USSDVEGQAMNKOX-UHFFFAOYSA-N 0 0 412.486 4.207 40 0 HIABRN Cc1ccc(CCCNC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000013669541 558561183 /nfs/dbraw/zinc/56/11/83/558561183.db2.gz FDPFSEUKSZRMAJ-UHFFFAOYSA-N 0 0 422.550 4.467 40 0 HIABRN C[C@H](NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000013670374 558561984 /nfs/dbraw/zinc/56/19/84/558561984.db2.gz WGYMUCULPBPXHR-HNNXBMFYSA-N 0 0 422.978 4.281 40 0 HIABRN C[C@@H](NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000013673194 558563178 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COc1ccc(CCNC(=O)c2ccccc2NC(=O)C2CCCCC2)cc1OC ZINC000013686691 558569955 /nfs/dbraw/zinc/56/99/55/558569955.db2.gz NBZRRZSNUIFQCW-UHFFFAOYSA-N 0 0 410.514 4.195 40 0 HIABRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000013708726 558575278 /nfs/dbraw/zinc/57/52/78/558575278.db2.gz CNDUNCNSJSZPLK-TYOLEZHBSA-N 0 0 400.522 4.465 40 0 HIABRN C[C@H](Oc1cccc2ccccc21)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000013709497 558575406 /nfs/dbraw/zinc/57/54/06/558575406.db2.gz XCOHBDMQIZVBGK-MAIVGLDJSA-N 0 0 400.522 4.465 40 0 HIABRN CC[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N(c1ccccc1)S(C)(=O)=O ZINC000013711593 558576290 /nfs/dbraw/zinc/57/62/90/558576290.db2.gz LCLASICNZKOAEE-INIZCTEOSA-N 0 0 401.315 4.177 40 0 HIABRN CC[C@H](C(=O)Nc1c(Cl)cccc1Cl)N(c1ccccc1)S(C)(=O)=O ZINC000013711760 558576298 /nfs/dbraw/zinc/57/62/98/558576298.db2.gz LOMZZBRYGFAAOM-OAHLLOKOSA-N 0 0 401.315 4.177 40 0 HIABRN CC[C@@H](C(=O)Nc1cccc(Cl)c1C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712250 558576586 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CC(C)c1ccc(OCCc2cc([C@@H]3CCN(C(=O)Cc4ccccn4)C3)[nH]n2)cc1 ZINC000072371345 558958033 /nfs/dbraw/zinc/95/80/33/558958033.db2.gz KYTHOHSGWXVELL-HXUWFJFHSA-N 0 0 418.541 4.108 40 0 HIABRN CNc1cc(C(=O)N2CCC(c3ccc(Cc4ccccc4F)cn3)CC2)ccn1 ZINC000019690467 558960080 /nfs/dbraw/zinc/96/00/80/558960080.db2.gz ULERINFONLIZGN-UHFFFAOYSA-N 0 0 404.489 4.268 40 0 HIABRN COc1ccc(Cc2cc(C)nc(C3CCN(C(=O)c4cn(C)nc4C)CC3)c2)cc1 ZINC000019691577 558960809 /nfs/dbraw/zinc/96/08/09/558960809.db2.gz JPMNZRHAUWNRAA-UHFFFAOYSA-N 0 0 418.541 4.051 40 0 HIABRN Cc1nc(Cn2nnc3ccccc32)cc(N[C@@H](C)COc2ccc(Cl)cc2)n1 ZINC000072373305 558961118 /nfs/dbraw/zinc/96/11/18/558961118.db2.gz JCMUBVSNNKKFQP-AWEZNQCLSA-N 0 0 408.893 4.111 40 0 HIABRN COc1ccccc1CCN1CCCc2c(C)nc([C@H]3CCCN3C(=O)C(C)C)nc21 ZINC000072373803 558961306 /nfs/dbraw/zinc/96/13/06/558961306.db2.gz HVHNFYBHTJAUDG-OAQYLSRUSA-N 0 0 422.573 4.108 40 0 HIABRN CCS(=O)(=O)[C@](Cl)(Br)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000096518188 558963202 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/nfs/dbraw/zinc/52/61/29/568526129.db2.gz SBAOBQQXZIQTGO-MOPGFXCFSA-N 0 0 405.552 4.474 40 0 HIABRN CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(Cl)c1 ZINC000222776708 568526342 /nfs/dbraw/zinc/52/63/42/568526342.db2.gz KVHZZNIQCYGHCV-LBPRGKRZSA-N 0 0 413.732 4.353 40 0 HIABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1Cc1ccncc1 ZINC000222817642 568527266 /nfs/dbraw/zinc/52/72/66/568527266.db2.gz SIVGEQAONACYLT-YADHBBJMSA-N 0 0 405.571 4.324 40 0 HIABRN Cc1cccc(OCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000222820679 568527311 /nfs/dbraw/zinc/52/73/11/568527311.db2.gz CMHCXYSOPFXNIR-QGZVFWFLSA-N 0 0 416.949 4.359 40 0 HIABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc(F)cc1 ZINC000222821254 568527366 /nfs/dbraw/zinc/52/73/66/568527366.db2.gz BPKFPEMGICEXKT-OAHLLOKOSA-N 0 0 420.912 4.190 40 0 HIABRN CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCc1ccc(OC)cc1 ZINC000222830193 568527701 /nfs/dbraw/zinc/52/77/01/568527701.db2.gz DTKJZPVABBJFJB-INIZCTEOSA-N 0 0 402.922 4.182 40 0 HIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(Cl)cc1 ZINC000222831199 568527753 /nfs/dbraw/zinc/52/77/53/568527753.db2.gz FDCCAUVSSRPPCT-NRFANRHFSA-N 0 0 416.949 4.223 40 0 HIABRN CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1Cl ZINC000222847887 568528313 /nfs/dbraw/zinc/52/83/13/568528313.db2.gz IKFMSZSAEIOGIH-NRFANRHFSA-N 0 0 416.949 4.223 40 0 HIABRN COc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)n2)c1 ZINC000222858094 568528741 /nfs/dbraw/zinc/52/87/41/568528741.db2.gz ZUCTZTDXDXFJCI-AWEZNQCLSA-N 0 0 415.877 4.133 40 0 HIABRN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCOC2CCCC2)cc1 ZINC000222872759 568529177 /nfs/dbraw/zinc/52/91/77/568529177.db2.gz RMCDGFAXTBEUKA-PGMHBOJBSA-N 0 0 412.555 4.293 40 0 HIABRN CC1CCN(S(=O)(=O)c2cccc(C(=O)NCc3cccc4ccccc43)c2)CC1 ZINC000222880972 568529420 /nfs/dbraw/zinc/52/94/20/568529420.db2.gz OLZRZHAHCVOWFC-UHFFFAOYSA-N 0 0 422.550 4.190 40 0 HIABRN Cc1ccccc1N(CCCC(=O)NCc1cccc2ccccc21)S(C)(=O)=O ZINC000222886636 568529609 /nfs/dbraw/zinc/52/96/09/568529609.db2.gz BOOMDGBPLGSARE-UHFFFAOYSA-N 0 0 410.539 4.011 40 0 HIABRN Cc1ccc(C)c(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222892736 568529862 /nfs/dbraw/zinc/52/98/62/568529862.db2.gz KUDJGSOTOAFCFF-SFHVURJKSA-N 0 0 414.521 4.153 40 0 HIABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000222903251 568530281 /nfs/dbraw/zinc/53/02/81/568530281.db2.gz AJQGRPHPNKIWBH-AWEZNQCLSA-N 0 0 422.903 4.493 40 0 HIABRN C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(Cl)c1 ZINC000222902773 568530291 /nfs/dbraw/zinc/53/02/91/568530291.db2.gz YQLKBWIDYZGERQ-HNNXBMFYSA-N 0 0 404.913 4.354 40 0 HIABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NCCOC ZINC000222923706 568531011 /nfs/dbraw/zinc/53/10/11/568531011.db2.gz BYOBWRVSXHKDIS-OAQYLSRUSA-N 0 0 412.530 4.156 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1cc(C)cc(C)c1C ZINC000222924119 568531151 /nfs/dbraw/zinc/53/11/51/568531151.db2.gz JQVRFYDHBDHJCY-GOSISDBHSA-N 0 0 416.949 4.197 40 0 HIABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000222929090 568531285 /nfs/dbraw/zinc/53/12/85/568531285.db2.gz KXJBPIRWURMXKV-NRFANRHFSA-N 0 0 400.950 4.257 40 0 HIABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000222960511 568532287 /nfs/dbraw/zinc/53/22/87/568532287.db2.gz GHDQYPVCLUZNEI-RXVVDRJESA-N 0 0 410.514 4.008 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1cccc2ccccc21 ZINC000222980959 568532988 /nfs/dbraw/zinc/53/29/88/568532988.db2.gz JFNATRADVHIGBQ-SFHVURJKSA-N 0 0 406.501 4.465 40 0 HIABRN COc1ccc(S(=O)(=O)N2c3ccc(Br)cc3C[C@@H]2C)cc1Cl ZINC000222979176 568532998 /nfs/dbraw/zinc/53/29/98/568532998.db2.gz OATORJODLWJEAP-JTQLQIEISA-N 0 0 416.724 4.251 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1Cl ZINC000222981433 568533107 /nfs/dbraw/zinc/53/31/07/568533107.db2.gz WQEGJRCKBUEJMS-QGZVFWFLSA-N 0 0 402.922 4.052 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222983769 568533208 /nfs/dbraw/zinc/53/32/08/568533208.db2.gz LRHMTNYTYOCQMX-ZDUSSCGKSA-N 0 0 411.304 4.228 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)cc1Cl ZINC000222983715 568533217 /nfs/dbraw/zinc/53/32/17/568533217.db2.gz LRHMTNYTYOCQMX-CYBMUJFWSA-N 0 0 411.304 4.228 40 0 HIABRN Cc1cccc(CCCNC(=O)/C(=C/c2ccco2)NC(=O)c2cccc(C)c2)c1 ZINC000222989182 568533333 /nfs/dbraw/zinc/53/33/33/568533333.db2.gz ILPCBHVGSUCAPH-QJOMJCCJSA-N 0 0 402.494 4.416 40 0 HIABRN COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)ccc1Cl ZINC000222997897 568533735 /nfs/dbraw/zinc/53/37/35/568533735.db2.gz MABQQWPFTBAWBN-ZDUSSCGKSA-N 0 0 407.919 4.045 40 0 HIABRN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccccc2C)cc1OC ZINC000223010489 568534255 /nfs/dbraw/zinc/53/42/55/568534255.db2.gz OCAACIKHLPLMNR-RGEXLXHISA-N 0 0 422.506 4.483 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1Cl ZINC000223061850 568536188 /nfs/dbraw/zinc/53/61/88/568536188.db2.gz ZJWFRQDFDXLMSY-HXUWFJFHSA-N 0 0 418.990 4.435 40 0 HIABRN CC[C@H](NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1)c1ccc2c(c1)CCCC2 ZINC000223068225 568536388 /nfs/dbraw/zinc/53/63/88/568536388.db2.gz QBXBPDJRQBSISA-FQEVSTJZSA-N 0 0 400.544 4.126 40 0 HIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(OC)cc1 ZINC000223070648 568536410 /nfs/dbraw/zinc/53/64/10/568536410.db2.gz SLPYTXVDIOUHHE-SJORKVTESA-N 0 0 416.949 4.223 40 0 HIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(Cl)cc1 ZINC000223085131 568537021 /nfs/dbraw/zinc/53/70/21/568537021.db2.gz XFZGDOSESXOHIN-CVEARBPZSA-N 0 0 420.912 4.190 40 0 HIABRN COc1ccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223093896 568537294 /nfs/dbraw/zinc/53/72/94/568537294.db2.gz JOSFKXIFPSNRRK-IBGZPJMESA-N 0 0 410.558 4.187 40 0 HIABRN C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)COc1ccc(Cl)cc1 ZINC000223094470 568537413 /nfs/dbraw/zinc/53/74/13/568537413.db2.gz VCUHWSAWWVCJHE-QGZVFWFLSA-N 0 0 416.949 4.093 40 0 HIABRN C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CSCc1ccccc1 ZINC000223095588 568537429 /nfs/dbraw/zinc/53/74/29/568537429.db2.gz BHOSZEZHOIXOLM-LJQANCHMSA-N 0 0 412.599 4.294 40 0 HIABRN COc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@H]3C)cc1 ZINC000223105501 568537715 /nfs/dbraw/zinc/53/77/15/568537715.db2.gz HQBBZTXHAAKIQI-LLVKDONJSA-N 0 0 413.271 4.142 40 0 HIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(C)c(C)c1 ZINC000223118071 568538114 /nfs/dbraw/zinc/53/81/14/568538114.db2.gz PPFBDFXDWFBEKA-RBUKOAKNSA-N 0 0 414.521 4.153 40 0 HIABRN CCC1(CC)C[C@@H](NS(=O)(=O)c2ccc(OC)c(OC)c2)c2ccccc2O1 ZINC000223130291 568538670 /nfs/dbraw/zinc/53/86/70/568538670.db2.gz DOJPYGJSGWJPDV-QGZVFWFLSA-N 0 0 405.516 4.065 40 0 HIABRN Cc1ccc(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c(C)c1 ZINC000223131067 568538805 /nfs/dbraw/zinc/53/88/05/568538805.db2.gz IDBUKXFDSJEHRL-FQEVSTJZSA-N 0 0 410.558 4.057 40 0 HIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1c(F)cccc1Cl ZINC000223140789 568539233 /nfs/dbraw/zinc/53/92/33/568539233.db2.gz QQXDCKPSCGVALW-LSDHHAIUSA-N 0 0 422.903 4.493 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1F ZINC000223147310 568539480 /nfs/dbraw/zinc/53/94/80/568539480.db2.gz OMKDMMYYHDJWDN-IBGZPJMESA-N 0 0 422.953 4.266 40 0 HIABRN COc1ccc(-c2ncc(C(=O)Nc3cc(-c4cccc(F)c4)[nH]n3)c(C)n2)cc1 ZINC000223147403 568539509 /nfs/dbraw/zinc/53/95/09/568539509.db2.gz GENZXGKKUIGUPX-UHFFFAOYSA-N 0 0 403.417 4.242 40 0 HIABRN CSc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1C(=O)N1CCCC1 ZINC000026114517 568540058 /nfs/dbraw/zinc/54/00/58/568540058.db2.gz ONOZKWSIMFOUEX-UHFFFAOYSA-N 0 0 404.557 4.062 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(F)cc1 ZINC000223186437 568540542 /nfs/dbraw/zinc/54/05/42/568540542.db2.gz NIALSUUQFBPBLV-LJQANCHMSA-N 0 0 422.953 4.266 40 0 HIABRN CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCc1ccccc1 ZINC000223190499 568540628 /nfs/dbraw/zinc/54/06/28/568540628.db2.gz JZFJCVCYILTNSN-RUZDIDTESA-N 0 0 418.512 4.144 40 0 HIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(F)cc1 ZINC000223221519 568541446 /nfs/dbraw/zinc/54/14/46/568541446.db2.gz GMLUFWXMOTVFET-NRFANRHFSA-N 0 0 414.521 4.235 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223225127 568541545 /nfs/dbraw/zinc/54/15/45/568541545.db2.gz RDAYQZJBJWMNHC-HXUWFJFHSA-N 0 0 420.912 4.192 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F ZINC000223238132 568542235 /nfs/dbraw/zinc/54/22/35/568542235.db2.gz DHAUKQWMVHCBMK-INIZCTEOSA-N 0 0 404.913 4.355 40 0 HIABRN CC[C@@H](NC(=O)[C@@H](C)Oc1cccc2c1CCCC2)c1ccc(S(C)(=O)=O)cc1 ZINC000223258074 568542842 /nfs/dbraw/zinc/54/28/42/568542842.db2.gz IQNBAEHVOUTHBX-IIBYNOLFSA-N 0 0 415.555 4.004 40 0 HIABRN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1 ZINC000223265959 568543312 /nfs/dbraw/zinc/54/33/12/568543312.db2.gz RULASZBRLHRKDW-QGZVFWFLSA-N 0 0 418.518 4.029 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccccc1 ZINC000223268630 568543527 /nfs/dbraw/zinc/54/35/27/568543527.db2.gz CLMOEFPIFNLYCZ-IBGZPJMESA-N 0 0 414.521 4.318 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 ZINC000223275225 568543627 /nfs/dbraw/zinc/54/36/27/568543627.db2.gz SCMPXQLFTTZPPB-IBGZPJMESA-N 0 0 407.341 4.398 40 0 HIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cc(Br)cs2)N1C[C@@H]1CCCO1 ZINC000223295182 568544387 /nfs/dbraw/zinc/54/43/87/568544387.db2.gz AUSLSFLLBGLWLH-RCBQFDQVSA-N 0 0 424.389 4.057 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(F)cc1 ZINC000223326626 568545217 /nfs/dbraw/zinc/54/52/17/568545217.db2.gz OISOCVQKKAZDKT-SFHVURJKSA-N 0 0 411.304 4.228 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1F ZINC000223327980 568545361 /nfs/dbraw/zinc/54/53/61/568545361.db2.gz USFOOTFUBOAKED-GOSISDBHSA-N 0 0 411.304 4.228 40 0 HIABRN CCCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccccn1)c1ccccc1 ZINC000223344713 568545826 /nfs/dbraw/zinc/54/58/26/568545826.db2.gz RZJPQWRVNKABGU-XMMPIXPASA-N 0 0 401.510 4.268 40 0 HIABRN CCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccccc1OC)c1ccccc1 ZINC000223341090 568545871 /nfs/dbraw/zinc/54/58/71/568545871.db2.gz NPVSWWIDWQTNLB-RUZDIDTESA-N 0 0 416.521 4.492 40 0 HIABRN CC(C)C(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1cccnc1)c1ccccc1 ZINC000223349390 568546073 /nfs/dbraw/zinc/54/60/73/568546073.db2.gz REEPAMROAYORBU-HSZRJFAPSA-N 0 0 401.510 4.124 40 0 HIABRN CCn1c2cc(C)c(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)cc2oc1=O ZINC000223354877 568546206 /nfs/dbraw/zinc/54/62/06/568546206.db2.gz JAODLNNBQWKGPK-UHFFFAOYSA-N 0 0 401.271 4.030 40 0 HIABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C[C@@H]2CCCO2)N1Cc1ccccc1 ZINC000223378160 568547016 /nfs/dbraw/zinc/54/70/16/568547016.db2.gz AVNBFCSMUPMQCJ-AJSBUHFISA-N 0 0 418.566 4.235 40 0 HIABRN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3cccc(C)c3C)o2)cc1 ZINC000223402411 568547515 /nfs/dbraw/zinc/54/75/15/568547515.db2.gz UNTPHQNYOGCMLT-UHFFFAOYSA-N 0 0 412.511 4.278 40 0 HIABRN CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCc1ccncc1)c1ccccc1 ZINC000223406341 568547792 /nfs/dbraw/zinc/54/77/92/568547792.db2.gz SYNLUXOVBUAIRP-QFIPXVFZSA-N 0 0 407.901 4.141 40 0 HIABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C)c2C)cc1 ZINC000223417442 568548243 /nfs/dbraw/zinc/54/82/43/568548243.db2.gz FFUQXPJCFOFNHK-FGZHOGPDSA-N 0 0 406.555 4.218 40 0 HIABRN COc1ccc([C@@H](C)NC(=O)/C(=C/c2ccco2)NC(=O)c2cccc(C)c2)cc1 ZINC000223448412 568549186 /nfs/dbraw/zinc/54/91/86/568549186.db2.gz PCLAMXSTSWIPQF-JVDNRXPZSA-N 0 0 404.466 4.245 40 0 HIABRN CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccncc1)c1ccccc1 ZINC000223482898 568550101 /nfs/dbraw/zinc/55/01/01/568550101.db2.gz SZRHTSNXKQQQEO-DEOSSOPVSA-N 0 0 419.500 4.407 40 0 HIABRN CC[C@H](C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)N(c1cccc(C)c1)S(C)(=O)=O ZINC000223481272 568550107 /nfs/dbraw/zinc/55/01/07/568550107.db2.gz SZZJUZVBPUOISD-SIKLNZKXSA-N 0 0 416.587 4.342 40 0 HIABRN CC(C)C(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccncc1)c1ccccc1 ZINC000223487310 568550226 /nfs/dbraw/zinc/55/02/26/568550226.db2.gz NVDKZLPYDAPXCU-HSZRJFAPSA-N 0 0 419.500 4.263 40 0 HIABRN CC(C)C(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccncc1)c1ccccc1 ZINC000223487371 568550229 /nfs/dbraw/zinc/55/02/29/568550229.db2.gz NVDKZLPYDAPXCU-QHCPKHFHSA-N 0 0 419.500 4.263 40 0 HIABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223502427 568550547 /nfs/dbraw/zinc/55/05/47/568550547.db2.gz XTFPDKSWMCZEBJ-IBGZPJMESA-N 0 0 407.341 4.132 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl ZINC000223505221 568550620 /nfs/dbraw/zinc/55/06/20/568550620.db2.gz FNORNHISIVZLGT-INIZCTEOSA-N 0 0 404.963 4.127 40 0 HIABRN O=C(NCCSCc1ccco1)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000223523939 568550917 /nfs/dbraw/zinc/55/09/17/568550917.db2.gz IQIDARRZHYXMBZ-RGEXLXHISA-N 0 0 412.536 4.162 40 0 HIABRN Cc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc4c(c3)CCCC4)n2)c1 ZINC000223528584 568551023 /nfs/dbraw/zinc/55/10/23/568551023.db2.gz NNERTNXOTKPDLW-QGZVFWFLSA-N 0 0 405.498 4.350 40 0 HIABRN Cc1ccc(N(CC(=O)NCC2=CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000223545494 568551345 /nfs/dbraw/zinc/55/13/45/568551345.db2.gz LVMDJBVFPDSAGR-UHFFFAOYSA-N 0 0 412.555 4.115 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223581996 568552275 /nfs/dbraw/zinc/55/22/75/568552275.db2.gz NYXOMKCRXVLETM-LJQANCHMSA-N 0 0 410.558 4.225 40 0 HIABRN Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)o1 ZINC000223594714 568552728 /nfs/dbraw/zinc/55/27/28/568552728.db2.gz ZTGSDASTKFKBAC-WOJBJXKFSA-N 0 0 413.930 4.268 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(Cl)cc1 ZINC000223595239 568552799 /nfs/dbraw/zinc/55/27/99/568552799.db2.gz ZDBNXZYDJLFBCX-KRWDZBQOSA-N 0 0 418.990 4.435 40 0 HIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccccc1C ZINC000223607707 568553260 /nfs/dbraw/zinc/55/32/60/568553260.db2.gz IHTDKVFGRDNWKV-JOCHJYFZSA-N 0 0 410.558 4.406 40 0 HIABRN CC(C)(C)c1ccc(-c2noc(CNS(=O)(=O)Cc3ccccc3Cl)n2)cc1 ZINC000223627444 568553901 /nfs/dbraw/zinc/55/39/01/568553901.db2.gz UJYUCXNYABOAKQ-UHFFFAOYSA-N 0 0 419.934 4.307 40 0 HIABRN OCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000223630611 568554124 /nfs/dbraw/zinc/55/41/24/568554124.db2.gz HLWHMMUTJXFHFC-WOJBJXKFSA-N 0 0 413.930 4.350 40 0 HIABRN CN(Cc1nc(-c2ccccc2Cl)no1)S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000223644948 568554729 /nfs/dbraw/zinc/55/47/29/568554729.db2.gz LCZYGJPSYKDDKH-UHFFFAOYSA-N 0 0 412.298 4.005 40 0 HIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1 ZINC000223652164 568555067 /nfs/dbraw/zinc/55/50/67/568555067.db2.gz KTCAOKODRIXDSB-HSZRJFAPSA-N 0 0 410.558 4.406 40 0 HIABRN CN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000223654777 568555137 /nfs/dbraw/zinc/55/51/37/568555137.db2.gz QDBYMXKVJNPOFO-UHFFFAOYSA-N 0 0 412.298 4.005 40 0 HIABRN CCOc1ccccc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(OC)cc1 ZINC000223670777 568555582 /nfs/dbraw/zinc/55/55/82/568555582.db2.gz CFBNAXRSWWSWSO-HKWRFOASSA-N 0 0 406.438 4.097 40 0 HIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(F)cc1 ZINC000223673044 568555726 /nfs/dbraw/zinc/55/57/26/568555726.db2.gz QJXFTWPQRFDLPO-NRFANRHFSA-N 0 0 414.521 4.099 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1cccc2ccccc21 ZINC000223715140 568557183 /nfs/dbraw/zinc/55/71/83/568557183.db2.gz BCRJQYGMLGVPMG-KRWDZBQOSA-N 0 0 424.928 4.425 40 0 HIABRN CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC)c3ccc(C)c(C)c3)ccc21 ZINC000223715516 568557189 /nfs/dbraw/zinc/55/71/89/568557189.db2.gz KMMREUQATSHKEX-HXUWFJFHSA-N 0 0 400.544 4.032 40 0 HIABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSCc1ccccc1 ZINC000223720397 568557407 /nfs/dbraw/zinc/55/74/07/568557407.db2.gz BBCROEHGKPADTL-IBGZPJMESA-N 0 0 410.583 4.396 40 0 HIABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1nc(-c2ccccc2C)no1 ZINC000223747260 568557975 /nfs/dbraw/zinc/55/79/75/568557975.db2.gz CXGRLMCJXHAIEC-OAQYLSRUSA-N 0 0 405.498 4.398 40 0 HIABRN C[C@H](CNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccccc1 ZINC000223747928 568557978 /nfs/dbraw/zinc/55/79/78/568557978.db2.gz DGKFXWFUUFMSCA-LJQANCHMSA-N 0 0 422.550 4.186 40 0 HIABRN Cc1cc(C)cc(OCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223778386 568558714 /nfs/dbraw/zinc/55/87/14/568558714.db2.gz NUBAUBMLKUZLCW-NRFANRHFSA-N 0 0 422.569 4.467 40 0 HIABRN CCn1c2ccccc2c2cc(NS(=O)(=O)c3cccc(C(=O)OC)c3)ccc21 ZINC000223794568 568559410 /nfs/dbraw/zinc/55/94/10/568559410.db2.gz NJLQLSLXMLGXLB-UHFFFAOYSA-N 0 0 408.479 4.402 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1C(C)(C)C ZINC000223831353 568560177 /nfs/dbraw/zinc/56/01/77/568560177.db2.gz HTSYQHQYVBIKRJ-KRWDZBQOSA-N 0 0 414.521 4.055 40 0 HIABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(CC)cc1 ZINC000223831400 568560183 /nfs/dbraw/zinc/56/01/83/568560183.db2.gz AZWKCZZPPRGOPK-QGZVFWFLSA-N 0 0 416.949 4.225 40 0 HIABRN CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)oc1ccccc12)c1cccc(F)c1 ZINC000223835783 568560321 /nfs/dbraw/zinc/56/03/21/568560321.db2.gz RPMKAKARFFHZPO-UHFFFAOYSA-N 0 0 412.442 4.130 40 0 HIABRN COCCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C ZINC000223854779 568561038 /nfs/dbraw/zinc/56/10/38/568561038.db2.gz JENGRBHQMNMBLA-FCHUYYIVSA-N 0 0 422.554 4.029 40 0 HIABRN COC(=O)c1ccc(C)c(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c1 ZINC000223863108 568561150 /nfs/dbraw/zinc/56/11/50/568561150.db2.gz YALOWWINZZHLCV-UHFFFAOYSA-N 0 0 409.507 4.173 40 0 HIABRN C[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000223894519 568562259 /nfs/dbraw/zinc/56/22/59/568562259.db2.gz LNMGQNQVEIGRHP-GFCCVEGCSA-N 0 0 400.327 4.207 40 0 HIABRN COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(C(C)(C)C)cc2)ccc1Cl ZINC000223899010 568562412 /nfs/dbraw/zinc/56/24/12/568562412.db2.gz VPPHVSUMQWHKFZ-UHFFFAOYSA-N 0 0 409.935 4.245 40 0 HIABRN Cc1ccc(CNC(=S)Nc2nc(C)c(Br)cc2Br)o1 ZINC000223904464 568562568 /nfs/dbraw/zinc/56/25/68/568562568.db2.gz CAFIYLMEASWPPM-UHFFFAOYSA-N 0 0 419.142 4.303 40 0 HIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2cccs2)N1c1ccc(N2CCOCC2)cc1 ZINC000223919666 568562907 /nfs/dbraw/zinc/56/29/07/568562907.db2.gz BZLBPUYKJMTVIR-SFTDATJTSA-N 0 0 422.579 4.157 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1C ZINC000223920971 568562988 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CCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 ZINC000223949390 568564158 /nfs/dbraw/zinc/56/41/58/568564158.db2.gz DZBQGJYVXAMXJI-UHFFFAOYSA-N 0 0 424.522 4.125 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(OC)cc1 ZINC000223956764 568564448 /nfs/dbraw/zinc/56/44/48/568564448.db2.gz CMTDHLNBQUZOLF-AWEZNQCLSA-N 0 0 423.340 4.098 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc(C)cc1 ZINC000223962407 568564617 /nfs/dbraw/zinc/56/46/17/568564617.db2.gz FPPQPJUOXQQXBI-OAHLLOKOSA-N 0 0 423.340 4.234 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(F)cc1 ZINC000223963814 568564699 /nfs/dbraw/zinc/56/46/99/568564699.db2.gz AYUHPJXCBJNAQC-ZDUSSCGKSA-N 0 0 411.304 4.228 40 0 HIABRN CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1)c1ccccc1 ZINC000223985928 568565313 /nfs/dbraw/zinc/56/53/13/568565313.db2.gz PPEJWLWMVNIYST-QFIPXVFZSA-N 0 0 424.522 4.377 40 0 HIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 ZINC000223992410 568565504 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4.212 40 0 HIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1F ZINC000224031760 568567070 /nfs/dbraw/zinc/56/70/70/568567070.db2.gz QBDWFPNQMIRAJC-QFIPXVFZSA-N 0 0 414.521 4.101 40 0 HIABRN COc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCc4ccccc43)c2)cc1 ZINC000224042811 568567541 /nfs/dbraw/zinc/56/75/41/568567541.db2.gz VDBMLVWCYYFWQS-UHFFFAOYSA-N 0 0 422.506 4.089 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000224048868 568567696 /nfs/dbraw/zinc/56/76/96/568567696.db2.gz PFYYGIMVRQAZBW-CQSZACIVSA-N 0 0 423.340 4.098 40 0 HIABRN COc1ccc(CCCNC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(C)cc2)cc1 ZINC000224062246 568568170 /nfs/dbraw/zinc/56/81/70/568568170.db2.gz CXHPUPKYBMSJOH-QJOMJCCJSA-N 0 0 418.493 4.117 40 0 HIABRN O=C(c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl)N1CCCCC1 ZINC000224064781 568568309 /nfs/dbraw/zinc/56/83/09/568568309.db2.gz XEASRDXXTLQWEA-UHFFFAOYSA-N 0 0 413.326 4.420 40 0 HIABRN CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(OC)cc1 ZINC000224066979 568568333 /nfs/dbraw/zinc/56/83/33/568568333.db2.gz ZNJUDJSRDSNBHJ-HSZRJFAPSA-N 0 0 410.558 4.004 40 0 HIABRN CCC[C@H](C)NC(=O)c1cc(NS(=O)(=O)c2ccc(OC)cc2)ccc1Cl ZINC000224072343 568568537 /nfs/dbraw/zinc/56/85/37/568568537.db2.gz LIHKTTNVHXRMIE-ZDUSSCGKSA-N 0 0 410.923 4.068 40 0 HIABRN CCCCCNC(=O)c1cc(NS(=O)(=O)c2ccc(OC)cc2)ccc1Cl ZINC000224072156 568568598 /nfs/dbraw/zinc/56/85/98/568568598.db2.gz JZIQESUMLSPAGD-UHFFFAOYSA-N 0 0 410.923 4.069 40 0 HIABRN Cc1ccc(OCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)cc1C ZINC000224074414 568568647 /nfs/dbraw/zinc/56/86/47/568568647.db2.gz XLLFINVNWOVQQU-GOSISDBHSA-N 0 0 414.521 4.153 40 0 HIABRN Cc1cc(C)cc(OCCNC(=O)COc2ccc(Br)cc2Cl)c1 ZINC000224085188 568569223 /nfs/dbraw/zinc/56/92/23/568569223.db2.gz HMJVWCDUMWQVLE-UHFFFAOYSA-N 0 0 412.711 4.293 40 0 HIABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)Cc1c(F)cccc1Cl ZINC000224086785 568569318 /nfs/dbraw/zinc/56/93/18/568569318.db2.gz JCWZYPAJEXVWGU-CQSZACIVSA-N 0 0 422.903 4.493 40 0 HIABRN CN(Cc1ccco1)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000224093286 568569649 /nfs/dbraw/zinc/56/96/49/568569649.db2.gz QYZVKBNUFQKMNO-UHFFFAOYSA-N 0 0 404.875 4.006 40 0 HIABRN CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccccc1Cl ZINC000224096450 568569695 /nfs/dbraw/zinc/56/96/95/568569695.db2.gz YOFGKQUPALQFQR-UHFFFAOYSA-N 0 0 421.733 4.047 40 0 HIABRN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)Cc3cccs3)ccc2C)cc1 ZINC000224101539 568569954 /nfs/dbraw/zinc/56/99/54/568569954.db2.gz KUAAYXFFUAQKJZ-UHFFFAOYSA-N 0 0 414.552 4.438 40 0 HIABRN COc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3C)c2)cc1 ZINC000224114950 568570500 /nfs/dbraw/zinc/57/05/00/568570500.db2.gz QZXAERVNZNOTMU-UHFFFAOYSA-N 0 0 410.495 4.081 40 0 HIABRN Cc1ccccc1CN(C(=O)COc1ccccc1Cl)[C@H](C)C(=O)NCC(C)C ZINC000224132475 568571019 /nfs/dbraw/zinc/57/10/19/568571019.db2.gz AGQYMGZZBDHRMM-GOSISDBHSA-N 0 0 416.949 4.217 40 0 HIABRN Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)NCc3ccccc3C)c2)c1 ZINC000224132575 568571098 /nfs/dbraw/zinc/57/10/98/568571098.db2.gz LZUCOTOURGXEKB-UHFFFAOYSA-N 0 0 408.523 4.059 40 0 HIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000224134929 568571186 /nfs/dbraw/zinc/57/11/86/568571186.db2.gz FONAHKLKAGBJJH-IBGZPJMESA-N 0 0 407.341 4.479 40 0 HIABRN CCOc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(C)c3)c2)c1 ZINC000224138637 568571257 /nfs/dbraw/zinc/57/12/57/568571257.db2.gz LSMHNAHIBWWGCW-UHFFFAOYSA-N 0 0 424.522 4.471 40 0 HIABRN Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)N3c4ccccc4C[C@@H]3C)c2)c1 ZINC000224139136 568571289 /nfs/dbraw/zinc/57/12/89/568571289.db2.gz MQLLMRWZTUJIDN-SFHVURJKSA-N 0 0 420.534 4.412 40 0 HIABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccc(F)cc1 ZINC000224152680 568571698 /nfs/dbraw/zinc/57/16/98/568571698.db2.gz GUTBIQMWWMDMOP-QFIPXVFZSA-N 0 0 412.505 4.071 40 0 HIABRN Cc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1Cl ZINC000224171135 568572394 /nfs/dbraw/zinc/57/23/94/568572394.db2.gz BKQMGRDHCDEZBQ-CYBMUJFWSA-N 0 0 412.711 4.373 40 0 HIABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1C ZINC000224182419 568572850 /nfs/dbraw/zinc/57/28/50/568572850.db2.gz IZBLXGKYNYJLGB-QFIPXVFZSA-N 0 0 412.599 4.480 40 0 HIABRN CCN(Cc1ccccc1)C(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000224186485 568572889 /nfs/dbraw/zinc/57/28/89/568572889.db2.gz MRBFVQCUBLNVNM-UHFFFAOYSA-N 0 0 414.552 4.236 40 0 HIABRN Cc1cc(C(=O)N2CCc3ccccc32)ccc1N(C)S(=O)(=O)c1ccccc1 ZINC000224197400 568573345 /nfs/dbraw/zinc/57/33/45/568573345.db2.gz XTODHQMDOLALHX-UHFFFAOYSA-N 0 0 406.507 4.023 40 0 HIABRN Cc1ccc(CN(C(=O)COc2cccc(Cl)c2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224204982 568573651 /nfs/dbraw/zinc/57/36/51/568573651.db2.gz NIKDAFXCSKPFIE-SFHVURJKSA-N 0 0 416.949 4.217 40 0 HIABRN CC(C)CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000224244125 568575203 /nfs/dbraw/zinc/57/52/03/568575203.db2.gz ZYPDDNLUNNDZRP-UHFFFAOYSA-N 0 0 415.342 4.204 40 0 HIABRN CCC(C)(C)NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1Cl ZINC000224250990 568575338 /nfs/dbraw/zinc/57/53/38/568575338.db2.gz XJBMJBGMACTLQY-UHFFFAOYSA-N 0 0 424.950 4.092 40 0 HIABRN O=C(COc1ccc2ccccc2c1Br)NCCc1ccc(F)cc1 ZINC000224256349 568575559 /nfs/dbraw/zinc/57/55/59/568575559.db2.gz POXKHYPXHUNDOT-UHFFFAOYSA-N 0 0 402.263 4.479 40 0 HIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc(Cl)cc1 ZINC000224268300 568575936 /nfs/dbraw/zinc/57/59/36/568575936.db2.gz GKHSINFWMKNLNH-IBGZPJMESA-N 0 0 423.340 4.316 40 0 HIABRN COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000224277086 568576285 /nfs/dbraw/zinc/57/62/85/568576285.db2.gz NQHKETOULKHLQD-UHFFFAOYSA-N 0 0 424.522 4.389 40 0 HIABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1 ZINC000224279275 568576364 /nfs/dbraw/zinc/57/63/64/568576364.db2.gz LYEPTHMRHYUOHP-MRXNPFEDSA-N 0 0 420.912 4.047 40 0 HIABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSc1ccccc1 ZINC000224279862 568576396 /nfs/dbraw/zinc/57/63/96/568576396.db2.gz REWBFWOSRQZZDJ-QGZVFWFLSA-N 0 0 402.535 4.107 40 0 HIABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 ZINC000224281153 568576502 /nfs/dbraw/zinc/57/65/02/568576502.db2.gz OSCGLELOOGFBPM-GOSISDBHSA-N 0 0 416.562 4.497 40 0 HIABRN COc1ccccc1NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccccc2)c1 ZINC000224289939 568576613 /nfs/dbraw/zinc/57/66/13/568576613.db2.gz LPHVZCGGTMSXNA-UHFFFAOYSA-N 0 0 410.495 4.081 40 0 HIABRN Cc1ccc(C(=O)NC2CCCCCC2)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000224293265 568576747 /nfs/dbraw/zinc/57/67/47/568576747.db2.gz MPBFVXICHPQHNL-UHFFFAOYSA-N 0 0 400.544 4.273 40 0 HIABRN COc1cccc(NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000224305636 568577240 /nfs/dbraw/zinc/57/72/40/568577240.db2.gz ZIHQICZFCKSMPV-UHFFFAOYSA-N 0 0 424.522 4.389 40 0 HIABRN Cc1ccccc1-c1noc(CN(C)C(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)n1 ZINC000224309930 568577392 /nfs/dbraw/zinc/57/73/92/568577392.db2.gz JQDPQQIIKUGHHJ-QGZVFWFLSA-N 0 0 405.498 4.350 40 0 HIABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl ZINC000224314043 568577604 /nfs/dbraw/zinc/57/76/04/568577604.db2.gz CGBCQGTWCXEJTN-INIZCTEOSA-N 0 0 404.913 4.211 40 0 HIABRN CCN1CCN(C(=O)c2ccc(OC)c(COc3ccc4ccccc4c3)c2)CC1 ZINC000224318273 568577762 /nfs/dbraw/zinc/57/77/62/568577762.db2.gz RIXZPQHRJYVGLZ-UHFFFAOYSA-N 0 0 404.510 4.205 40 0 HIABRN COc1ccc(OCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 ZINC000224337311 568578338 /nfs/dbraw/zinc/57/83/38/568578338.db2.gz ZKIVLAVDIISHGU-UHFFFAOYSA-N 0 0 402.494 4.067 40 0 HIABRN COc1ccc2cc(S(=O)(=O)NCCSCc3ccc(C)cc3)ccc2c1 ZINC000224341128 568578429 /nfs/dbraw/zinc/57/84/29/568578429.db2.gz WCEREYOCDYJFMN-UHFFFAOYSA-N 0 0 401.553 4.369 40 0 HIABRN CCN(c1ccc(C(=O)NCCCc2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000224361964 568579190 /nfs/dbraw/zinc/57/91/90/568579190.db2.gz KHHCNSFSXFWWJO-UHFFFAOYSA-N 0 0 422.550 4.264 40 0 HIABRN Cc1ccc(C(=O)NCCCSC2CCCCC2)cc1N1CCCCS1(=O)=O ZINC000224398916 568580244 /nfs/dbraw/zinc/58/02/44/568580244.db2.gz IJRKVBBVCLZWLX-UHFFFAOYSA-N 0 0 424.632 4.111 40 0 HIABRN COc1ccc([C@@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 ZINC000224403561 568580330 /nfs/dbraw/zinc/58/03/30/568580330.db2.gz ODFCHNBCIZPPNN-KQRQPNSISA-N 0 0 406.507 4.405 40 0 HIABRN Cc1ccc([C@H](C)NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000224414337 568580725 /nfs/dbraw/zinc/58/07/25/568580725.db2.gz CUYXVDPNFYRUEZ-IBGZPJMESA-N 0 0 422.550 4.307 40 0 HIABRN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)cc1 ZINC000224419784 568580791 /nfs/dbraw/zinc/58/07/91/568580791.db2.gz LNHXHCBLQYUWHT-IBGZPJMESA-N 0 0 422.550 4.307 40 0 HIABRN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N3CCCC(C)(C)C3)cc2)cc1 ZINC000224428881 568581049 /nfs/dbraw/zinc/58/10/49/568581049.db2.gz PPLXGTFEKMMOLV-UHFFFAOYSA-N 0 0 414.571 4.078 40 0 HIABRN Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C[C@@H]1CCCO1 ZINC000224428321 568581063 /nfs/dbraw/zinc/58/10/63/568581063.db2.gz QMMZBZXPMIRLPF-WQTXXOFMSA-N 0 0 422.529 4.378 40 0 HIABRN CN(Cc1ccc(C(=O)N2CCCCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224432059 568581215 /nfs/dbraw/zinc/58/12/15/568581215.db2.gz AHTJHDWJKVCYRI-UHFFFAOYSA-N 0 0 420.962 4.177 40 0 HIABRN CCC(C)(C)NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000224435000 568581226 /nfs/dbraw/zinc/58/12/26/568581226.db2.gz BQVAJKWMGWTLKJ-UHFFFAOYSA-N 0 0 408.951 4.079 40 0 HIABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 ZINC000224438985 568581315 /nfs/dbraw/zinc/58/13/15/568581315.db2.gz FWWSDOXCOOEUQK-LJQANCHMSA-N 0 0 407.341 4.479 40 0 HIABRN CCc1ccc(CCC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224447769 568581552 /nfs/dbraw/zinc/58/15/52/568581552.db2.gz SNKNBWFVDYFUOY-HXUWFJFHSA-N 0 0 424.585 4.380 40 0 HIABRN COc1ccc(CN(C(=O)Cc2ccc(C)c(C)c2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224472953 568582046 /nfs/dbraw/zinc/58/20/46/568582046.db2.gz GJOZBAJRBNEIJJ-FQEVSTJZSA-N 0 0 410.558 4.044 40 0 HIABRN CCOc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1COc1ccc(C)cc1 ZINC000224469666 568582079 /nfs/dbraw/zinc/58/20/79/568582079.db2.gz GOFDUMXZONEXEI-UHFFFAOYSA-N 0 0 404.466 4.324 40 0 HIABRN COc1ccc(CN(C(=O)Cc2ccccc2Cl)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224482340 568582437 /nfs/dbraw/zinc/58/24/37/568582437.db2.gz LYOWYCPDSBUWPX-QGZVFWFLSA-N 0 0 416.949 4.081 40 0 HIABRN Cc1cccc(CN(C)C(=O)c2cccc(S(=O)(=O)N(C)c3cccc(C)c3)c2)c1 ZINC000224487616 568582632 /nfs/dbraw/zinc/58/26/32/568582632.db2.gz FYBVKFDEZONLRK-UHFFFAOYSA-N 0 0 422.550 4.401 40 0 HIABRN CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1 ZINC000224502807 568582965 /nfs/dbraw/zinc/58/29/65/568582965.db2.gz YFUYKXQCWAJGEE-SFHVURJKSA-N 0 0 400.950 4.115 40 0 HIABRN CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000224511871 568583149 /nfs/dbraw/zinc/58/31/49/568583149.db2.gz NUVQEHQPDGFTKB-UHFFFAOYSA-N 0 0 414.571 4.186 40 0 HIABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1 ZINC000224529246 568583748 /nfs/dbraw/zinc/58/37/48/568583748.db2.gz CIBZOPCIDLTBCJ-HSZRJFAPSA-N 0 0 408.542 4.104 40 0 HIABRN COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)ccc1Cl ZINC000224547221 568584600 /nfs/dbraw/zinc/58/46/00/568584600.db2.gz WSOCJGKITTWIPS-ZDUSSCGKSA-N 0 0 409.935 4.464 40 0 HIABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 ZINC000224568914 568585544 /nfs/dbraw/zinc/58/55/44/568585544.db2.gz QYUIGUDISOPLKC-XMMPIXPASA-N 0 0 422.569 4.494 40 0 HIABRN CCN1c2ccccc2C(c2ccccc2)=C(C(=O)NCC2CCCCC2)S1(=O)=O ZINC000224571190 568585794 /nfs/dbraw/zinc/58/57/94/568585794.db2.gz BZKFDGTVVNEFTP-UHFFFAOYSA-N 0 0 424.566 4.312 40 0 HIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1 ZINC000224590611 568586715 /nfs/dbraw/zinc/58/67/15/568586715.db2.gz LTBDKEXODWGVKR-QHCPKHFHSA-N 0 0 410.558 4.262 40 0 HIABRN COc1ccc(CCNC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)cc1 ZINC000224616168 568588297 /nfs/dbraw/zinc/58/82/97/568588297.db2.gz DGRIBXXABGFPKP-JWGURIENSA-N 0 0 420.534 4.195 40 0 HIABRN CC(C)(C)CC(C)(C)NC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000224632047 568589603 /nfs/dbraw/zinc/58/96/03/568589603.db2.gz GDGGZFPBWBZOHP-UHFFFAOYSA-N 0 0 402.988 4.217 40 0 HIABRN Cc1ccccc1N(CCCC(=O)Nc1ccc2c3c(cccc31)CC2)S(C)(=O)=O ZINC000224642882 568590267 /nfs/dbraw/zinc/59/02/67/568590267.db2.gz DUYGKMKRCMOJQP-UHFFFAOYSA-N 0 0 422.550 4.432 40 0 HIABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1F ZINC000224664099 568591245 /nfs/dbraw/zinc/59/12/45/568591245.db2.gz CHBDEBLABPKOPN-OAQYLSRUSA-N 0 0 414.521 4.093 40 0 HIABRN CCCOCc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1OCC ZINC000224709396 568593211 /nfs/dbraw/zinc/59/32/11/568593211.db2.gz NHPSMMWEEOIROS-UHFFFAOYSA-N 0 0 400.494 4.113 40 0 HIABRN CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000224737448 568594324 /nfs/dbraw/zinc/59/43/24/568594324.db2.gz UPJCOUQNQORRHW-VWLOTQADSA-N 0 0 414.549 4.394 40 0 HIABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(F)cc1 ZINC000224773363 568596221 /nfs/dbraw/zinc/59/62/21/568596221.db2.gz IFJNNOVZAAGTBH-NRFANRHFSA-N 0 0 402.485 4.087 40 0 HIABRN O=C(C1CC1)N1CCc2cc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)ccc21 ZINC000224799517 568597191 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ZINC000032641092 524121288 /nfs/dbraw/zinc/12/12/88/524121288.db2.gz PLACMEFDGFEXOF-CTNGQTDRSA-N 0 0 414.596 4.195 40 0 HIABRN COc1cccc([C@@H]2c3cc4c(cc3O[C@@](C)(N3CCCC3)[C@H]2C)OCO4)c1OC ZINC000073334471 524135322 /nfs/dbraw/zinc/13/53/22/524135322.db2.gz QUAKHYXKSRPYCZ-HRCLSFSHSA-N 0 0 411.498 4.405 40 0 HIABRN Cc1ccc(CNC(=O)CCc2nc(-c3ccc(Br)cc3)no2)cc1 ZINC000225817890 524500194 /nfs/dbraw/zinc/50/01/94/524500194.db2.gz UANXQNDZVSRXIS-UHFFFAOYSA-N 0 0 400.276 4.057 40 0 HIABRN Cc1ccc(CNC(=S)Nc2nc(Cl)cc(N3CCc4ccccc4C3)n2)o1 ZINC000225916835 524570426 /nfs/dbraw/zinc/57/04/26/524570426.db2.gz WPHIDLVXUKIWIZ-UHFFFAOYSA-N 0 0 413.934 4.081 40 0 HIABRN Cc1ccc(Cl)cc1N1CCN(C(=O)c2snnc2-c2ccc(F)cc2)CC1 ZINC000225780949 524733870 /nfs/dbraw/zinc/73/38/70/524733870.db2.gz GNXBVOCRRIIHIG-UHFFFAOYSA-N 0 0 416.909 4.268 40 0 HIABRN COc1ccc(OC)c(NC(=O)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1 ZINC000225804349 524847406 /nfs/dbraw/zinc/84/74/06/524847406.db2.gz MENLCQUAWSQEHL-UHFFFAOYSA-N 0 0 421.375 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0 0 408.468 4.156 40 0 HIABRN Cc1cccc(N(CC(=O)N2c3ccccc3C[C@@H]2C)S(=O)(=O)c2ccccc2)c1 ZINC000013612520 558549012 /nfs/dbraw/zinc/54/90/12/558549012.db2.gz ROQUYYPAZCNQNS-IBGZPJMESA-N 0 0 420.534 4.168 40 0 HIABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)N1CCCc2ccccc21 ZINC000013632197 558552488 /nfs/dbraw/zinc/55/24/88/558552488.db2.gz BPYKOYHSPVUOSW-UHFFFAOYSA-N 0 0 406.507 4.389 40 0 HIABRN O=c1c2cnc(N3CCCCC3)nc2ccn1CCc1c[nH]c2ccc(Cl)cc12 ZINC000013638596 558555245 /nfs/dbraw/zinc/55/52/45/558555245.db2.gz NUZJMYFYLPRGII-UHFFFAOYSA-N 0 0 407.905 4.159 40 0 HIABRN Cc1c(Cl)cccc1N(CC(=O)N1CCC[C@@H](C)C1)S(=O)(=O)c1ccccc1 ZINC000013646651 558557055 /nfs/dbraw/zinc/55/70/55/558557055.db2.gz MZGFOYRQWUZKTN-MRXNPFEDSA-N 0 0 420.962 4.102 40 0 HIABRN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000013649436 558558106 /nfs/dbraw/zinc/55/81/06/558558106.db2.gz HNCDRCDYOQPXQZ-SFHVURJKSA-N 0 0 420.534 4.244 40 0 HIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)c2ccccc2)c2cccc(C)c2)cc1 ZINC000013667842 558560205 /nfs/dbraw/zinc/56/02/05/558560205.db2.gz NMKULPCHEHMTQQ-UHFFFAOYSA-N 0 0 408.523 4.162 40 0 HIABRN C[C@H]1Cc2ccccc2N1C(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O ZINC000013670114 558561740 /nfs/dbraw/zinc/56/17/40/558561740.db2.gz ZEVGVQFBOJJHOU-SFHVURJKSA-N 0 0 420.534 4.244 40 0 HIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N2c3ccccc3C[C@H]2C)c2ccccc2)cc1 ZINC000013675044 558564039 /nfs/dbraw/zinc/56/40/39/558564039.db2.gz LJEUPEBFJHKTEW-LJQANCHMSA-N 0 0 420.534 4.168 40 0 HIABRN CN(c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1)S(=O)(=O)c1cccs1 ZINC000013680921 558566638 /nfs/dbraw/zinc/56/66/38/558566638.db2.gz TZSFHSFGJQLWRD-UHFFFAOYSA-N 0 0 408.451 4.104 40 0 HIABRN CC[C@H](C(=O)Nc1ccc(OC(C)C)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712699 558576930 /nfs/dbraw/zinc/57/69/30/558576930.db2.gz IEBSJTCCUFEJKF-LJQANCHMSA-N 0 0 424.950 4.311 40 0 HIABRN CC[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713929 558577812 /nfs/dbraw/zinc/57/78/12/558577812.db2.gz GRYHHWSDBGERRS-QGZVFWFLSA-N 0 0 415.342 4.485 40 0 HIABRN CC[C@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714632 558578164 /nfs/dbraw/zinc/57/81/64/558578164.db2.gz WBQXIYWFWRWKJI-GOSISDBHSA-N 0 0 408.951 4.449 40 0 HIABRN CC[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715261 558578718 /nfs/dbraw/zinc/57/87/18/558578718.db2.gz MYLVMEHDFPPMCN-INIZCTEOSA-N 0 0 418.412 4.028 40 0 HIABRN Cc1ccc(N(CC(=O)NC[C@@H](C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000024037023 558585777 /nfs/dbraw/zinc/58/57/77/558585777.db2.gz WOVOILYODDSEIB-HXUWFJFHSA-N 0 0 422.550 4.110 40 0 HIABRN Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000013993615 558611429 /nfs/dbraw/zinc/61/14/29/558611429.db2.gz FVFODRINDSGGHZ-KRWDZBQOSA-N 0 0 410.495 4.202 40 0 HIABRN Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000013993617 558611535 /nfs/dbraw/zinc/61/15/35/558611535.db2.gz FVFODRINDSGGHZ-QGZVFWFLSA-N 0 0 410.495 4.202 40 0 HIABRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCSC3CCCC3)c2)cc1 ZINC000025246511 558635812 /nfs/dbraw/zinc/63/58/12/558635812.db2.gz RRFOHCGVAVAQAA-UHFFFAOYSA-N 0 0 418.584 4.201 40 0 HIABRN O=C1C[C@@H](N2Cc3[nH]c4ccccc4c3[C@H](c3ccccc3)C2)C(=O)N1c1ccccc1 ZINC000038830254 558666075 /nfs/dbraw/zinc/66/60/75/558666075.db2.gz OYMXKRWBPZMFCD-XUZZJYLKSA-N 0 0 421.500 4.448 40 0 HIABRN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCc3cccc(C)c3)c2)cc1 ZINC000026885086 558666305 /nfs/dbraw/zinc/66/63/05/558666305.db2.gz YSYNBIJNYMXHHD-UHFFFAOYSA-N 0 0 408.523 4.059 40 0 HIABRN CCCn1ncc2c1nc(C1CC1)cc2C(=O)N(C)Cc1nn(C)c(Cl)c1Cl ZINC000036616671 558730911 /nfs/dbraw/zinc/73/09/11/558730911.db2.gz QXLHAABQJHHHLY-UHFFFAOYSA-N 0 0 421.332 4.031 40 0 HIABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3cccc(F)c3)c2)c1 ZINC000015383543 558736535 /nfs/dbraw/zinc/73/65/35/558736535.db2.gz INDAAGRMHLGPFG-UHFFFAOYSA-N 0 0 412.486 4.207 40 0 HIABRN CN(C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)C1CCCCC1 ZINC000030755591 558737204 /nfs/dbraw/zinc/73/72/04/558737204.db2.gz NFHNXLAWGGLEJK-UHFFFAOYSA-N 0 0 420.962 4.326 40 0 HIABRN Cc1cccc(N(CC(=O)N(C)C2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000030849873 558739818 /nfs/dbraw/zinc/73/98/18/558739818.db2.gz QOTQONDSSAPTCD-UHFFFAOYSA-N 0 0 420.962 4.245 40 0 HIABRN COc1ccccc1[C@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000015471365 558740838 /nfs/dbraw/zinc/74/08/38/558740838.db2.gz WPZHLYFSPCETPU-KRWDZBQOSA-N 0 0 424.522 4.295 40 0 HIABRN O=C(CCn1c2nn(C3CCCC3)cc2c(C(F)F)cc1=O)Nc1ccccc1 ZINC000036621429 558740995 /nfs/dbraw/zinc/74/09/95/558740995.db2.gz TYFUQLVXSOQAJI-UHFFFAOYSA-N 0 0 400.429 4.280 40 0 HIABRN CCOc1cccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)c1 ZINC000030856735 558741033 /nfs/dbraw/zinc/74/10/33/558741033.db2.gz BUDOSFDVJNISPZ-UHFFFAOYSA-N 0 0 424.522 4.125 40 0 HIABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000030858372 558741506 /nfs/dbraw/zinc/74/15/06/558741506.db2.gz UMRYRHZVAGWCBQ-INIZCTEOSA-N 0 0 403.500 4.218 40 0 HIABRN CC[C@H](NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000030867732 558742953 /nfs/dbraw/zinc/74/29/53/558742953.db2.gz JEVUEGVXCODWOQ-BEFAXECRSA-N 0 0 408.951 4.070 40 0 HIABRN O=C1C[C@@H](N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2)C(=O)N1c1ccccc1 ZINC000030874380 558743838 /nfs/dbraw/zinc/74/38/38/558743838.db2.gz YVZRKSJKOBBHGS-BVAGGSTKSA-N 0 0 421.500 4.448 40 0 HIABRN O=C(NCc1ccccc1Cl)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000015584322 558744861 /nfs/dbraw/zinc/74/48/61/558744861.db2.gz MWKVKIJOUOSTIJ-UHFFFAOYSA-N 0 0 418.877 4.210 40 0 HIABRN CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2Cl)c1 ZINC000015584282 558744869 /nfs/dbraw/zinc/74/48/69/558744869.db2.gz BCIJHUREBRSEPM-UHFFFAOYSA-N 0 0 414.914 4.095 40 0 HIABRN Cc1ccccc1[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000015686372 558749003 /nfs/dbraw/zinc/74/90/03/558749003.db2.gz FDMFYMKBQRTNPU-GOSISDBHSA-N 0 0 408.523 4.311 40 0 HIABRN CC(C)(Sc1cc(Cl)c(Cl)c(Cl)c1)C(=O)OCCN1CCOCC1 ZINC000031794217 558752452 /nfs/dbraw/zinc/75/24/52/558752452.db2.gz CVZJQNLQCCWAMG-UHFFFAOYSA-N 0 0 412.766 4.393 40 0 HIABRN CCc1ccccc1NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000016162471 558774926 /nfs/dbraw/zinc/77/49/26/558774926.db2.gz LNKJJIJFSOWSGG-UHFFFAOYSA-N 0 0 422.550 4.121 40 0 HIABRN Cc1ccc(/C=C2/N=C(c3cc(I)ccc3Cl)NC2=O)cc1 ZINC000016291503 558783877 /nfs/dbraw/zinc/78/38/77/558783877.db2.gz RCJRJXFFGBVZGN-OVCLIPMQSA-N 0 0 422.653 4.171 40 0 HIABRN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl ZINC000016312923 558785772 /nfs/dbraw/zinc/78/57/72/558785772.db2.gz VKOXYOIWFYGLLQ-UHFFFAOYSA-N 0 0 421.733 4.214 40 0 HIABRN COc1ccc(CC(=O)N(C)c2nnc(-c3ccc(Cl)cc3)s2)cc1OC ZINC000035315152 558790095 /nfs/dbraw/zinc/79/00/95/558790095.db2.gz FNZNJIGBRRMMEH-UHFFFAOYSA-N 0 0 403.891 4.081 40 0 HIABRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)NC1CCCCCCC1 ZINC000016491232 558794572 /nfs/dbraw/zinc/79/45/72/558794572.db2.gz JPOUVEMHNYCOCU-UHFFFAOYSA-N 0 0 406.592 4.239 40 0 HIABRN O=C1C[C@H](Nc2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1Cl ZINC000036635895 558800548 /nfs/dbraw/zinc/80/05/48/558800548.db2.gz DOQGDQCVHNDCMM-ZDUSSCGKSA-N 0 0 414.086 4.500 40 0 HIABRN COc1ccc(N[C@H]2SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 ZINC000016740556 558803476 /nfs/dbraw/zinc/80/34/76/558803476.db2.gz PBXONQCZRQLGDB-HNNXBMFYSA-N 0 0 407.289 4.091 40 0 HIABRN CCc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)cc1 ZINC000016755845 558805668 /nfs/dbraw/zinc/80/56/68/558805668.db2.gz UXMQRAKGFSUBQI-UHFFFAOYSA-N 0 0 409.559 4.250 40 0 HIABRN O=c1/c(=C\c2ccc(Cl)cc2Cl)sc2nc(/C=C/c3ccccc3)nn12 ZINC000016779400 558806676 /nfs/dbraw/zinc/80/66/76/558806676.db2.gz TWZNLPYEOLMILB-FYGXEABWSA-N 0 0 400.290 4.176 40 0 HIABRN COCc1nn2c(ncc(C(=O)Nc3ccc(F)cc3)c2C)c1-c1ccc(OC)cc1 ZINC000038829748 558816393 /nfs/dbraw/zinc/81/63/93/558816393.db2.gz ANXVRVLCWGMQLG-UHFFFAOYSA-N 0 0 420.444 4.251 40 0 HIABRN COCc1nn2c(nnc(C(=O)Nc3ccc(C)c(C)c3)c2C)c1-c1ccc(F)cc1 ZINC000039963924 558822826 /nfs/dbraw/zinc/82/28/26/558822826.db2.gz VHHRQFMELGUMIH-UHFFFAOYSA-N 0 0 419.460 4.254 40 0 HIABRN C[C@@H]1CCCC[C@@H]1N1C(=O)[C@@H](CC(=O)NCc2ccccc2)n2c3ccccc3nc21 ZINC000039964066 558822993 /nfs/dbraw/zinc/82/29/93/558822993.db2.gz ZNFDZRXWYYBPDK-PIPMEXSNSA-N 0 0 416.525 4.209 40 0 HIABRN O=C(C[C@@H]1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1cccc(C(F)(F)F)c1 ZINC000039964110 558823180 /nfs/dbraw/zinc/82/31/80/558823180.db2.gz QYLAKOMKSFYCGX-QGZVFWFLSA-N 0 0 414.387 4.134 40 0 HIABRN CCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 ZINC000039985298 558823324 /nfs/dbraw/zinc/82/33/24/558823324.db2.gz LOISHIGCKLMRAT-UHFFFAOYSA-N 0 0 420.840 4.008 40 0 HIABRN CN(Cc1cccc(F)c1)C(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000018080989 558830667 /nfs/dbraw/zinc/83/06/67/558830667.db2.gz NZUAFZBORNLPDC-UHFFFAOYSA-N 0 0 416.449 4.038 40 0 HIABRN Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3n[nH]c(C)c3Br)c12 ZINC000013641933 558830973 /nfs/dbraw/zinc/83/09/73/558830973.db2.gz BYCSSEQBMXQPEN-UHFFFAOYSA-N 0 0 418.276 4.306 40 0 HIABRN CC(C)(C)c1ncc(C(=O)N2CCC[C@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)cn1 ZINC000019084784 558840925 /nfs/dbraw/zinc/84/09/25/558840925.db2.gz KSHYBIFSJJTIEQ-AWEZNQCLSA-N 0 0 423.542 4.018 40 0 HIABRN COc1ccc([C@H](C)NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)c2ccccc12 ZINC000019117322 558842256 /nfs/dbraw/zinc/84/22/56/558842256.db2.gz CTBOBRLQNLBQSQ-LBPRGKRZSA-N 0 0 411.412 4.023 40 0 HIABRN Cc1cc(C(F)F)nn1CC(=O)N[C@H](Cc1ccsc1)c1nc(C)c(C)s1 ZINC000019119229 558842725 /nfs/dbraw/zinc/84/27/25/558842725.db2.gz UTEUGHKVUPORGV-OAHLLOKOSA-N 0 0 410.515 4.364 40 0 HIABRN Cc1cc(C(F)F)nn1CC(=O)N[C@@H](Cc1ccsc1)c1nc(C)c(C)s1 ZINC000019119226 558842728 /nfs/dbraw/zinc/84/27/28/558842728.db2.gz UTEUGHKVUPORGV-HNNXBMFYSA-N 0 0 410.515 4.364 40 0 HIABRN Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1 ZINC000019209700 558848033 /nfs/dbraw/zinc/84/80/33/558848033.db2.gz JUJCSDDHDVUTPO-JOCHJYFZSA-N 0 0 415.541 4.209 40 0 HIABRN O=C(Cc1cccc(Br)c1)Nc1ccc(I)cc1 ZINC000050041009 558851883 /nfs/dbraw/zinc/85/18/83/558851883.db2.gz NGBHNAOTKHZDEL-UHFFFAOYSA-N 0 0 416.056 4.235 40 0 HIABRN Cc1nc2ccccc2n1C[C@H](C)C(=O)NCC1(c2cccc(C)c2)CCOCC1 ZINC000019234530 558853840 /nfs/dbraw/zinc/85/38/40/558853840.db2.gz UQMDDTWSMHPZFQ-IBGZPJMESA-N 0 0 405.542 4.154 40 0 HIABRN Cc1cccc(CC(=O)N2CC[C@](Cc3ccc(-c4ccsc4)cc3)(C(N)=O)C2)c1 ZINC000019234588 558853866 /nfs/dbraw/zinc/85/38/66/558853866.db2.gz CSBZFSLXFXEABG-RUZDIDTESA-N 0 0 418.562 4.213 40 0 HIABRN Cc1noc(C)c1Cc1c(C)onc1C(=O)N1CCC[C@@H](COc2ccccc2C)C1 ZINC000019237359 558856574 /nfs/dbraw/zinc/85/65/74/558856574.db2.gz RPAAVXHMPFTMQC-LJQANCHMSA-N 0 0 423.513 4.418 40 0 HIABRN Cc1ccccc1-c1cccc(C[C@H]2CN(C(=O)c3cccc(F)c3)CCNC2=O)c1 ZINC000019237469 558856624 /nfs/dbraw/zinc/85/66/24/558856624.db2.gz SYPUMAFLEUIVOE-QFIPXVFZSA-N 0 0 416.496 4.232 40 0 HIABRN Cc1cnc(-c2nnc(C3CCN(C(=O)c4csc5ccccc45)CC3)o2)cn1 ZINC000019239251 558857826 /nfs/dbraw/zinc/85/78/26/558857826.db2.gz BQOFKRNSBDGXBH-UHFFFAOYSA-N 0 0 405.483 4.070 40 0 HIABRN COc1ccc(CC(=O)N2CCCC[C@@H]2c2n[nH]cc2-c2ccncc2C)cc1F ZINC000019239576 558858238 /nfs/dbraw/zinc/85/82/38/558858238.db2.gz PDWMEEZMDBGWSZ-HXUWFJFHSA-N 0 0 408.477 4.224 40 0 HIABRN COc1ccc(OC(C)(C)C(=O)N2CCC[C@@H]2c2n[nH]cc2-c2ccncc2C)cc1 ZINC000019239608 558858244 /nfs/dbraw/zinc/85/82/44/558858244.db2.gz PHXIOGLOHHITBA-OAQYLSRUSA-N 0 0 420.513 4.310 40 0 HIABRN C[C@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000052754448 558860987 /nfs/dbraw/zinc/86/09/87/558860987.db2.gz QKUSWJIPSUFIJO-SFHVURJKSA-N 0 0 407.535 4.366 40 0 HIABRN Cn1nc(C(F)(F)F)cc1C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000019288777 558861621 /nfs/dbraw/zinc/86/16/21/558861621.db2.gz PBJSCBNJNKLRQQ-UHFFFAOYSA-N 0 0 409.408 4.143 40 0 HIABRN COc1ccc2c(cc(C(=O)Nc3ccccc3OC[C@H]3CCCCO3)n2C)c1OC ZINC000019289704 558862144 /nfs/dbraw/zinc/86/21/44/558862144.db2.gz QRJJNMWYHFXPMY-MRXNPFEDSA-N 0 0 424.497 4.396 40 0 HIABRN Cn1ccnc1C(=O)N1CCC[C@@H](c2nc(Nc3cccc(F)c3)n3ccsc23)C1 ZINC000019291149 558863375 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O=C(C1CCCC1)N1CCC(O)(Cn2ncc3cc(Nc4ccccc4)ccc32)CC1 ZINC000019373344 558880525 /nfs/dbraw/zinc/88/05/25/558880525.db2.gz TXENAOWHHABDCO-UHFFFAOYSA-N 0 0 418.541 4.324 40 0 HIABRN COc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4C)N(c4ccccc4)O[C@@H]3C2=O)cc1 ZINC000013804914 558883651 /nfs/dbraw/zinc/88/36/51/558883651.db2.gz FSJBFYBIIHAIFO-VJBWXMMDSA-N 0 0 414.461 4.055 40 0 HIABRN CC(C)Cc1ccc(CN2CCC[C@@H](C3=NS(=O)(=O)c4ccccc4N3)C2)s1 ZINC000019447526 558886724 /nfs/dbraw/zinc/88/67/24/558886724.db2.gz AELPNHUJGYANGE-MRXNPFEDSA-N 0 0 417.600 4.372 40 0 HIABRN COCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1Cl ZINC000057254702 558887972 /nfs/dbraw/zinc/88/79/72/558887972.db2.gz DNXDIVCJDCDJNI-UHFFFAOYSA-N 0 0 407.869 4.191 40 0 HIABRN CC(C)c1cc(C(=O)N2CCC(c3nc4cnccn4c3NC(C)(C)C)CC2)on1 ZINC000019452806 558890549 /nfs/dbraw/zinc/89/05/49/558890549.db2.gz STJYGCBYZBPSQY-UHFFFAOYSA-N 0 0 410.522 4.071 40 0 HIABRN Cc1ccc2c(c1)C(=O)CC1(CCN(CC(=O)c3cn(C)c4ccccc34)CC1)O2 ZINC000057823013 558890870 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40 0 HIABRN CCn1nc(C)c(C(=O)N2CCC[C@H]2c2nnc(-c3nccc4ccccc43)o2)c1C ZINC000019523712 558904914 /nfs/dbraw/zinc/90/49/14/558904914.db2.gz QWUOISVTCCHGDG-SFHVURJKSA-N 0 0 416.485 4.095 40 0 HIABRN CCN(CC)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)C(C)(C)C)C1 ZINC000019526147 558907441 /nfs/dbraw/zinc/90/74/41/558907441.db2.gz VHPRRACUBSWLGS-SANMLTNESA-N 0 0 421.585 4.424 40 0 HIABRN CCNC(=O)[C@@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCN(C(=O)C2CC2)C1 ZINC000019528372 558909446 /nfs/dbraw/zinc/90/94/46/558909446.db2.gz QWPMCRUXLGEPCR-AREMUKBSSA-N 0 0 420.553 4.060 40 0 HIABRN CCNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCCN(C(=O)CC(C)(C)C)C1 ZINC000019528491 558909815 /nfs/dbraw/zinc/90/98/15/558909815.db2.gz HUXLIYWDVJVJLZ-SANMLTNESA-N 0 0 421.585 4.472 40 0 HIABRN CCNc1nc(C)c(C(=O)N2CCCC[C@H]2c2nc(C)ncc2-c2ccncc2)s1 ZINC000019529432 558911260 /nfs/dbraw/zinc/91/12/60/558911260.db2.gz KXJPBUZXOQNIBR-SFHVURJKSA-N 0 0 422.558 4.411 40 0 HIABRN CCOc1ccc(CC(=O)N2CCCC[C@H]2c2c(-c3onc(C)c3C)cnn2C)cc1 ZINC000019532984 558913032 /nfs/dbraw/zinc/91/30/32/558913032.db2.gz GQULFTAMPSDKKA-NRFANRHFSA-N 0 0 422.529 4.387 40 0 HIABRN COc1cc2[nH]c(C(=O)N3CCC[C@@H](c4cc5ncccc5[nH]4)C3)cc2c(OC)c1 ZINC000019550492 558915212 /nfs/dbraw/zinc/91/52/12/558915212.db2.gz NYEUWABXLCSALY-CQSZACIVSA-N 0 0 404.470 4.081 40 0 HIABRN Cc1nc(N(C)C)ncc1C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000019552794 558916030 /nfs/dbraw/zinc/91/60/30/558916030.db2.gz VUUYBAPLGVJGSO-UHFFFAOYSA-N 0 0 421.448 4.169 40 0 HIABRN COc1ccc(CCC(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[nH]2)cc1 ZINC000019554550 558917533 /nfs/dbraw/zinc/91/75/33/558917533.db2.gz GVXLTZQXENJQMZ-FQEVSTJZSA-N 0 0 423.538 4.193 40 0 HIABRN Cc1sc2[nH]c([C@@H]3CCCN(C(=O)c4nccc5ccccc54)C3)nc(=O)c2c1C ZINC000019561617 558922403 /nfs/dbraw/zinc/92/24/03/558922403.db2.gz CYCKGGWMHYYBBG-MRXNPFEDSA-N 0 0 418.522 4.169 40 0 HIABRN COc1ccc(C(=O)N2CCC[C@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)cn1 ZINC000019561855 558922581 /nfs/dbraw/zinc/92/25/81/558922581.db2.gz FXRYHBYVBBOUIU-ZDUSSCGKSA-N 0 0 404.392 4.005 40 0 HIABRN Cc1noc(C)c1C(=O)N1CCC(c2cc(C(F)(F)F)c3c(C)noc3n2)CC1 ZINC000019564845 558924773 /nfs/dbraw/zinc/92/47/73/558924773.db2.gz UQNBEQWCYXGZKB-UHFFFAOYSA-N 0 0 408.380 4.175 40 0 HIABRN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(C(=O)C[C@@H](C)n2cccn2)C1 ZINC000019568588 558927754 /nfs/dbraw/zinc/92/77/54/558927754.db2.gz QRJICQHPIGKJOG-ZIAGYGMSSA-N 0 0 421.423 4.104 40 0 HIABRN COc1ccc(CN(Cc2c(C)nn(C(C)C)c2C)C[C@@H]2CCCO2)cc1OC ZINC000019577424 558933050 /nfs/dbraw/zinc/93/30/50/558933050.db2.gz FVRWPRDRLVTTIX-FQEVSTJZSA-N 0 0 401.551 4.279 40 0 HIABRN CC[C@@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000072325097 558933433 /nfs/dbraw/zinc/93/34/33/558933433.db2.gz PRYYRYNMEVTVDL-IBGZPJMESA-N 0 0 415.965 4.038 40 0 HIABRN CN(C)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCCN(C(=O)C2CCCC2)C1 ZINC000019578918 558934507 /nfs/dbraw/zinc/93/45/07/558934507.db2.gz AQIHSRDNQHGSFX-SANMLTNESA-N 0 0 419.569 4.178 40 0 HIABRN CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)C2CCC2)C1 ZINC000019579740 558935339 /nfs/dbraw/zinc/93/53/39/558935339.db2.gz JKVLZHRTLPIXRD-RUZDIDTESA-N 0 0 408.517 4.142 40 0 HIABRN Cc1noc(C)c1CC(=O)N1CCC(c2cc(C(F)(F)F)c3c(C)noc3n2)CC1 ZINC000019580316 558936011 /nfs/dbraw/zinc/93/60/11/558936011.db2.gz DLUMHLASYISYAN-UHFFFAOYSA-N 0 0 422.407 4.104 40 0 HIABRN COc1cc(CN2[C@@H]3CC[C@H]2Cc2c3cnc3cc(C(C)(C)C)nn32)cc2c1OCO2 ZINC000072337374 558937845 /nfs/dbraw/zinc/93/78/45/558937845.db2.gz CWXIWBILGILQCX-DOTOQJQBSA-N 0 0 420.513 4.026 40 0 HIABRN CCOc1ccc(C(=O)N2CCC(c3cc(C(F)(F)F)n4nc(C)cc4n3)CC2)o1 ZINC000072340816 558939298 /nfs/dbraw/zinc/93/92/98/558939298.db2.gz WBDXESBRWLOWDB-UHFFFAOYSA-N 0 0 422.407 4.068 40 0 HIABRN CCC(=O)N1CCC(c2nnc([C@H]3CCCCN3C(=O)CCC3CCCC3)o2)CC1 ZINC000072344850 558941305 /nfs/dbraw/zinc/94/13/05/558941305.db2.gz SSLPAGGEIBIPRP-LJQANCHMSA-N 0 0 416.566 4.210 40 0 HIABRN CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)CC2CCCC2)C1 ZINC000019591064 558941326 /nfs/dbraw/zinc/94/13/26/558941326.db2.gz UYWGNXHCLGVHIW-AREMUKBSSA-N 0 0 419.569 4.226 40 0 HIABRN CNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2ccccn2)CC1 ZINC000072345055 558941427 /nfs/dbraw/zinc/94/14/27/558941427.db2.gz JMYOTDCCJYAUIG-UHFFFAOYSA-N 0 0 419.550 4.021 40 0 HIABRN CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)CC2CCCC2)C1 ZINC000019591420 558941924 /nfs/dbraw/zinc/94/19/24/558941924.db2.gz CBZVAMDGUQVMID-AREMUKBSSA-N 0 0 404.554 4.441 40 0 HIABRN CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCN(C(=O)CC2CCCCC2)C1 ZINC000019591429 558942079 /nfs/dbraw/zinc/94/20/79/558942079.db2.gz TULFHVHEARHSGJ-SANMLTNESA-N 0 0 419.569 4.226 40 0 HIABRN Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)COc3ccccc3)C2)n1 ZINC000072346015 558942740 /nfs/dbraw/zinc/94/27/40/558942740.db2.gz CBEAPRCWWFGGSR-QGZVFWFLSA-N 0 0 422.916 4.164 40 0 HIABRN COCC(=O)N1CCCC[C@@H]1c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000019592822 558943619 /nfs/dbraw/zinc/94/36/19/558943619.db2.gz WOCPXOLCJAOALF-CQSZACIVSA-N 0 0 424.448 4.177 40 0 HIABRN COCC(=O)N1CCc2sccc2[C@H]1c1ccc(NC(=O)c2cccc(F)c2)cc1 ZINC000019592927 558943791 /nfs/dbraw/zinc/94/37/91/558943791.db2.gz ABCJAUFSHSKMDT-JOCHJYFZSA-N 0 0 424.497 4.260 40 0 HIABRN Cc1cccc(CSCC(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1 ZINC000061239893 558944981 /nfs/dbraw/zinc/94/49/81/558944981.db2.gz ZYEDPDUGFOHYLN-UHFFFAOYSA-N 0 0 405.523 4.192 40 0 HIABRN COCCOc1cccc([C@@H]2N[C@H](c3cccnc3OC)Cc3cc(OC)ccc32)c1 ZINC000019593814 558945154 /nfs/dbraw/zinc/94/51/54/558945154.db2.gz TYQGBKHMBQGHNX-ZEQRLZLVSA-N 0 0 420.509 4.100 40 0 HIABRN COc1ccc2c(c1)c(C[C@@H](C)NC(=O)c1ccc(C(F)(F)F)nc1C)cn2C ZINC000019658299 558950261 /nfs/dbraw/zinc/95/02/61/558950261.db2.gz KGKHVUOZXFNBPR-GFCCVEGCSA-N 0 0 405.420 4.270 40 0 HIABRN Cc1cccc(-c2noc(CCC(=O)Nc3nnc(-c4ccccc4F)s3)n2)c1 ZINC000019659682 558950960 /nfs/dbraw/zinc/95/09/60/558950960.db2.gz HFQDULNCFISUDS-UHFFFAOYSA-N 0 0 409.446 4.274 40 0 HIABRN Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(C(=O)c3cnccn3)C2)n1 ZINC000072353839 558951077 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CC[C@@H](C)Nc1nc(Nc2ccc(C)cc2Br)cc(-c2ccncc2)n1 ZINC000329028677 522140305 /nfs/dbraw/zinc/14/03/05/522140305.db2.gz PWOREXMPAABNJX-CQSZACIVSA-N 0 0 412.335 4.407 40 0 HIABRN CC[C@H](NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000020492617 522381843 /nfs/dbraw/zinc/38/18/43/522381843.db2.gz ZKYKLFRUBIEFEP-NRFANRHFSA-N 0 0 402.560 4.152 40 0 HIABRN CC[C@@H](NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O)c1ccccc1 ZINC000044904448 522685043 /nfs/dbraw/zinc/68/50/43/522685043.db2.gz USUYOFRLBSKJPP-OAHLLOKOSA-N 0 0 415.342 4.027 40 0 HIABRN COc1cc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)ccc1-c1ccc(CO)o1 ZINC000020143202 522717254 /nfs/dbraw/zinc/71/72/54/522717254.db2.gz XQNBMMIXLAHEBF-UHFFFAOYSA-N 0 0 413.298 4.395 40 0 HIABRN COc1cc(NC(=O)c2sc3nc(C(F)(F)F)cc(C)c3c2N)cc(OC)c1 ZINC000032117783 522734851 /nfs/dbraw/zinc/73/48/51/522734851.db2.gz CYNKWRXHGCHIFW-UHFFFAOYSA-N 0 0 411.405 4.475 40 0 HIABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000044844767 522867690 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PLACMEFDGFEXOF-TZIWHRDSSA-N 0 0 414.596 4.195 40 0 HIABRN Cc1cc(C)cc(N(CC(=O)N(C)C2CCCCC2)S(=O)(=O)c2ccccc2)c1 ZINC000020482188 524405199 /nfs/dbraw/zinc/40/51/99/524405199.db2.gz MBFVNVOUOBIKRM-UHFFFAOYSA-N 0 0 414.571 4.290 40 0 HIABRN Cc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(C)c(C)c2)cc1C ZINC000032641080 524641037 /nfs/dbraw/zinc/64/10/37/524641037.db2.gz LOOVPWJXKXJAIS-LEWJYISDSA-N 0 0 414.596 4.195 40 0 HIABRN Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)c3ccnn3C)C2)n1 ZINC000072354090 524843292 /nfs/dbraw/zinc/84/32/92/524843292.db2.gz SJSIJDQEUQFOFJ-LJQANCHMSA-N 0 0 408.933 4.388 40 0 HIABRN COc1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000044842735 524969088 /nfs/dbraw/zinc/96/90/88/524969088.db2.gz FUUBIIACYFAFHB-QGZVFWFLSA-N 0 0 413.495 4.233 40 0 HIABRN COc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000044842729 524970550 /nfs/dbraw/zinc/97/05/50/524970550.db2.gz FUUBIIACYFAFHB-KRWDZBQOSA-N 0 0 413.495 4.233 40 0 HIABRN Cc1cc(N2CCc3ccccc3C2)nc(NC(=S)NCc2ccccc2Cl)n1 ZINC000225938349 525095809 /nfs/dbraw/zinc/09/58/09/525095809.db2.gz UTJDRQOHHDPROP-UHFFFAOYSA-N 0 0 423.973 4.488 40 0 HIABRN Cc1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044903609 525165278 /nfs/dbraw/zinc/16/52/78/525165278.db2.gz MDDZBJYNIKCMIK-UHFFFAOYSA-N 0 0 414.914 4.379 40 0 HIABRN Cc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCC2)c2cccc(C)c2C)cc1 ZINC000044905070 525502657 /nfs/dbraw/zinc/50/26/57/525502657.db2.gz BTTGCDKLDWUKME-UHFFFAOYSA-N 0 0 414.571 4.208 40 0 HIABRN Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000044839129 525522288 /nfs/dbraw/zinc/52/22/88/525522288.db2.gz CFKOKSYTPSHVNR-QGZVFWFLSA-N 0 0 418.534 4.046 40 0 HIABRN COc1ccc2c(cc(C)c3nnc(SCC(=O)N4CCCc5ccccc54)n32)c1 ZINC000000928511 525613884 /nfs/dbraw/zinc/61/38/84/525613884.db2.gz JQWFXNFUNCMKBU-UHFFFAOYSA-N 0 0 418.522 4.271 40 0 HIABRN Cc1cnc(Nc2cc([C@@H]3CCCN3S(=O)(=O)C3CCCCC3)nc(C)n2)s1 ZINC000072359916 526096896 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423.962 4.477 40 0 HIABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1c(C)c(C)n(-c2ccccc2)c1C ZINC000223033740 568535035 /nfs/dbraw/zinc/53/50/35/568535035.db2.gz WVEDHRPEHDPJTE-XZOQPEGZSA-N 0 0 420.582 4.416 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1cccc(Cl)c1 ZINC000223041358 568535304 /nfs/dbraw/zinc/53/53/04/568535304.db2.gz MHTIVKUXQPQMMU-GOSISDBHSA-N 0 0 416.949 4.361 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl ZINC000223058804 568536077 /nfs/dbraw/zinc/53/60/77/568536077.db2.gz SPRXCRSQCOFDFW-IBGZPJMESA-N 0 0 407.341 4.398 40 0 HIABRN COc1cccc(CN(C(=O)Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000223058550 568536125 /nfs/dbraw/zinc/53/61/25/568536125.db2.gz XKNRVRUITIWLJX-INIZCTEOSA-N 0 0 416.949 4.223 40 0 HIABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1F ZINC000223079803 568536722 /nfs/dbraw/zinc/53/67/22/568536722.db2.gz RCTYZABFDUJCAS-CVEARBPZSA-N 0 0 420.912 4.190 40 0 HIABRN CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1F ZINC000223079861 568536768 /nfs/dbraw/zinc/53/67/68/568536768.db2.gz RCTYZABFDUJCAS-HOTGVXAUSA-N 0 0 420.912 4.190 40 0 HIABRN COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223079091 568536779 /nfs/dbraw/zinc/53/67/79/568536779.db2.gz CVDTWHLKHWXJRG-MRXNPFEDSA-N 0 0 416.949 4.223 40 0 HIABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccc(Cl)cc1 ZINC000223085076 568537042 /nfs/dbraw/zinc/53/70/42/568537042.db2.gz XFZGDOSESXOHIN-JKSUJKDBSA-N 0 0 420.912 4.190 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1cccc(Cl)c1 ZINC000223090521 568537191 /nfs/dbraw/zinc/53/71/91/568537191.db2.gz BRHNLHQNDKRXNN-GOSISDBHSA-N 0 0 416.949 4.361 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(C)cc1 ZINC000223107848 568537759 /nfs/dbraw/zinc/53/77/59/568537759.db2.gz RDXAGJGGVLWEMZ-HXUWFJFHSA-N 0 0 418.990 4.435 40 0 HIABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1cc(C)cc(C)c1 ZINC000223117761 568538122 /nfs/dbraw/zinc/53/81/22/568538122.db2.gz PBTIRWYWDKHHDG-RTBURBONSA-N 0 0 414.521 4.153 40 0 HIABRN Cc1cc(C)cc(OCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000223118320 568538142 /nfs/dbraw/zinc/53/81/42/568538142.db2.gz LJCOWCOVUXYCRA-HXUWFJFHSA-N 0 0 410.558 4.057 40 0 HIABRN COc1ccc(C(=O)N2CCC(C(=O)N[C@@H](C)c3ccc(Cl)cc3)CC2)cc1 ZINC000223124077 568538425 /nfs/dbraw/zinc/53/84/25/568538425.db2.gz IMLJFKISFBHVLP-HNNXBMFYSA-N 0 0 400.906 4.078 40 0 HIABRN COc1ccc(C(=O)N2CCC(C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1OC ZINC000223125100 568538470 /nfs/dbraw/zinc/53/84/70/568538470.db2.gz WFZTUUMIAYMHLD-UHFFFAOYSA-N 0 0 410.514 4.120 40 0 HIABRN CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1)c1ccc2c(c1)CCCC2 ZINC000223130018 568538679 /nfs/dbraw/zinc/53/86/79/568538679.db2.gz MCLKOWWERCUJQG-FQEVSTJZSA-N 0 0 421.946 4.435 40 0 HIABRN CCOc1c(Br)cc(/C=C2\SC(=O)N(C)C2=O)cc1Br ZINC000408818235 568538894 /nfs/dbraw/zinc/53/88/94/568538894.db2.gz PFGJIVZZFLCYJV-POHAHGRESA-N 0 0 421.110 4.276 40 0 HIABRN CCOc1ccc(C(=O)N(C)Cc2nc(-c3cccc(OC)c3)no2)cc1Cl ZINC000223139480 568539160 /nfs/dbraw/zinc/53/91/60/568539160.db2.gz URKGGJLWDCZURV-UHFFFAOYSA-N 0 0 401.850 4.070 40 0 HIABRN COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc3cc(OC)ccc3c2)c1 ZINC000223142436 568539368 /nfs/dbraw/zinc/53/93/68/568539368.db2.gz PNFNRUQYFRGELR-UHFFFAOYSA-N 0 0 405.859 4.089 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1 ZINC000223143329 568539375 /nfs/dbraw/zinc/53/93/75/568539375.db2.gz LTJRJSQSTQKEPZ-KRWDZBQOSA-N 0 0 402.922 4.052 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 ZINC000223151931 568539610 /nfs/dbraw/zinc/53/96/10/568539610.db2.gz LAMHENWDJIQYSX-LJQANCHMSA-N 0 0 404.963 4.294 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 ZINC000223151873 568539619 /nfs/dbraw/zinc/53/96/19/568539619.db2.gz LAMHENWDJIQYSX-IBGZPJMESA-N 0 0 404.963 4.294 40 0 HIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1Cl ZINC000223165684 568539829 /nfs/dbraw/zinc/53/98/29/568539829.db2.gz GBFMSWHPIQEPSJ-IBGZPJMESA-N 0 0 416.949 4.441 40 0 HIABRN COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1 ZINC000223175332 568540082 /nfs/dbraw/zinc/54/00/82/568540082.db2.gz ZUIQDAPLDHKRLH-UHFFFAOYSA-N 0 0 411.907 4.368 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1cccc(C)c1 ZINC000223192069 568540740 /nfs/dbraw/zinc/54/07/40/568540740.db2.gz NMZXGTASANZGFN-FQEVSTJZSA-N 0 0 418.990 4.435 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C ZINC000223192525 568540762 /nfs/dbraw/zinc/54/07/62/568540762.db2.gz CIQCDEZPEFNYTK-SFHVURJKSA-N 0 0 416.949 4.361 40 0 HIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(F)cc1 ZINC000223221577 568541451 /nfs/dbraw/zinc/54/14/51/568541451.db2.gz GMLUFWXMOTVFET-OAQYLSRUSA-N 0 0 414.521 4.235 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 ZINC000223236774 568542091 /nfs/dbraw/zinc/54/20/91/568542091.db2.gz NJHKWSPXNVDGJY-INIZCTEOSA-N 0 0 404.913 4.355 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc21 ZINC000223236231 568542108 /nfs/dbraw/zinc/54/21/08/568542108.db2.gz KYLSNPNOTIPBQR-HSZRJFAPSA-N 0 0 406.501 4.465 40 0 HIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1F ZINC000223267171 568543388 /nfs/dbraw/zinc/54/33/88/568543388.db2.gz HMTZSGFEKWJSDP-HXUWFJFHSA-N 0 0 414.521 4.235 40 0 HIABRN C[C@@H]1Cc2cc(S(=O)(=O)N3CCc4ccccc43)ccc2N1C(=O)c1ccccc1 ZINC000223269040 568543525 /nfs/dbraw/zinc/54/35/25/568543525.db2.gz OVVMJHLQQYXGAA-QGZVFWFLSA-N 0 0 418.518 4.029 40 0 HIABRN COc1cc(C)c([C@H](C)NC(=O)c2ccc(CN3CCOCC3)cc2)cc1C(C)C ZINC000223269310 568543561 /nfs/dbraw/zinc/54/35/61/568543561.db2.gz HPVGFBWWNULYMG-IBGZPJMESA-N 0 0 410.558 4.450 40 0 HIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C ZINC000223269945 568543578 /nfs/dbraw/zinc/54/35/78/568543578.db2.gz VBPKTMLKCCRXDS-NRFANRHFSA-N 0 0 410.558 4.404 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(C)cc1 ZINC000223325349 568545245 /nfs/dbraw/zinc/54/52/45/568545245.db2.gz BWXOCPYDJPETBT-LJQANCHMSA-N 0 0 423.340 4.234 40 0 HIABRN CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccccc1C ZINC000223328211 568545354 /nfs/dbraw/zinc/54/53/54/568545354.db2.gz IHHQSUUQWQEGHC-SFHVURJKSA-N 0 0 423.340 4.234 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccccn2)N1Cc1ccco1 ZINC000223332107 568545464 /nfs/dbraw/zinc/54/54/64/568545464.db2.gz MITRTLXTIREDKD-NHCUHLMSSA-N 0 0 401.495 4.033 40 0 HIABRN COc1ccc(Br)cc1S(=O)(=O)NCCCc1ccccc1Cl ZINC000223331563 568545486 /nfs/dbraw/zinc/54/54/86/568545486.db2.gz RIZOLYBHTVJYJM-UHFFFAOYSA-N 0 0 418.740 4.022 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2ccccn2)N1Cc1ccco1 ZINC000223360293 568546432 /nfs/dbraw/zinc/54/64/32/568546432.db2.gz JGXHMGAVQJLDBO-YADHBBJMSA-N 0 0 415.522 4.092 40 0 HIABRN Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)Nc4cccc(C)c4)ccc32)cc1 ZINC000223373934 568546814 /nfs/dbraw/zinc/54/68/14/568546814.db2.gz HHRRKARHUJORKN-UHFFFAOYSA-N 0 0 406.507 4.307 40 0 HIABRN COCCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C ZINC000223381320 568547052 /nfs/dbraw/zinc/54/70/52/568547052.db2.gz HNRSHAIEAXMALD-PKTZIBPZSA-N 0 0 420.582 4.319 40 0 HIABRN Cc1cc(C)c([C@H](C)NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cc1C ZINC000223412563 568547972 /nfs/dbraw/zinc/54/79/72/568547972.db2.gz JTEWATWHIHEIHA-IBGZPJMESA-N 0 0 416.587 4.379 40 0 HIABRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C)c2C)cc1 ZINC000223417358 568548267 /nfs/dbraw/zinc/54/82/67/568548267.db2.gz FFUQXPJCFOFNHK-YADHBBJMSA-N 0 0 406.555 4.218 40 0 HIABRN CCCC[C@@H](CC)CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000223460958 568549468 /nfs/dbraw/zinc/54/94/68/568549468.db2.gz JMSARYGJWUDSKB-LJQANCHMSA-N 0 0 402.560 4.215 40 0 HIABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CSc1ccc(Cl)cc1 ZINC000223461218 568549544 /nfs/dbraw/zinc/54/95/44/568549544.db2.gz NDEGHPQSUVFGFW-LJQANCHMSA-N 0 0 404.963 4.028 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1cccc(Cl)c1 ZINC000223468212 568549716 /nfs/dbraw/zinc/54/97/16/568549716.db2.gz CZTZHJULWVWIHL-QGZVFWFLSA-N 0 0 416.949 4.225 40 0 HIABRN S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1Cc1cccnc1 ZINC000223479559 568550090 /nfs/dbraw/zinc/55/00/90/568550090.db2.gz WZLKNXVJANSKAZ-GOTSBHOMSA-N 0 0 411.534 4.440 40 0 HIABRN Cc1cc(C)c([C@H](C)NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1C ZINC000223484739 568550268 /nfs/dbraw/zinc/55/02/68/568550268.db2.gz AFKHOHWVPPBEGN-SFHVURJKSA-N 0 0 420.550 4.175 40 0 HIABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223502342 568550569 /nfs/dbraw/zinc/55/05/69/568550569.db2.gz ZMPAMGJWWTVAMF-LJQANCHMSA-N 0 0 407.341 4.132 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl ZINC000223505175 568550577 /nfs/dbraw/zinc/55/05/77/568550577.db2.gz FNORNHISIVZLGT-MRXNPFEDSA-N 0 0 404.963 4.127 40 0 HIABRN COC(=O)c1cc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc(C(=O)OC)c1 ZINC000223532498 568551063 /nfs/dbraw/zinc/55/10/63/568551063.db2.gz ZCKGRXJOJIVFNM-HNNXBMFYSA-N 0 0 413.470 4.098 40 0 HIABRN COc1ccc(CN(C(C)=O)[C@H](C(=O)NCc2ccc(C)cc2)c2ccccc2)cc1 ZINC000223541314 568551300 /nfs/dbraw/zinc/55/13/00/568551300.db2.gz CPKBDJBQPZHKFY-VWLOTQADSA-N 0 0 416.521 4.410 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc(Cl)cc1 ZINC000223550083 568551472 /nfs/dbraw/zinc/55/14/72/568551472.db2.gz LARCNBJELMSFSO-KRWDZBQOSA-N 0 0 418.990 4.435 40 0 HIABRN CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCc1ccco1)c1ccccc1 ZINC000223551303 568551581 /nfs/dbraw/zinc/55/15/81/568551581.db2.gz WGBSTDMMLRXSCR-DEOSSOPVSA-N 0 0 420.509 4.475 40 0 HIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1cc(C)cc(C)c1 ZINC000223592538 568552557 /nfs/dbraw/zinc/55/25/57/568552557.db2.gz VSTUCGLJOFKNNL-QHCPKHFHSA-N 0 0 410.558 4.406 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl ZINC000223592521 568552597 /nfs/dbraw/zinc/55/25/97/568552597.db2.gz PZFRFJBUCXMFLY-OAHLLOKOSA-N 0 0 407.341 4.398 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000223592309 568552610 /nfs/dbraw/zinc/55/26/10/568552610.db2.gz YRIOONLJDZOIIC-HNNXBMFYSA-N 0 0 407.341 4.398 40 0 HIABRN CC(C)c1ccc(-c2noc(CNS(=O)(=O)c3ccc4ccccc4c3)n2)cc1 ZINC000223591927 568552621 /nfs/dbraw/zinc/55/26/21/568552621.db2.gz FBVDOZKABQMPRD-UHFFFAOYSA-N 0 0 407.495 4.492 40 0 HIABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C)c(C)c1 ZINC000223592605 568552702 /nfs/dbraw/zinc/55/27/02/568552702.db2.gz VYSMYYMKUYOTLQ-HSZRJFAPSA-N 0 0 410.558 4.406 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000223622989 568553621 /nfs/dbraw/zinc/55/36/21/568553621.db2.gz SPDTVHYPRPVVBA-SFHVURJKSA-N 0 0 416.949 4.361 40 0 HIABRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)cc1 ZINC000223621315 568553645 /nfs/dbraw/zinc/55/36/45/568553645.db2.gz GTCYHIPVTIYPJJ-JOCHJYFZSA-N 0 0 410.558 4.268 40 0 HIABRN CC(C)c1ccc(-c2noc(CN(C)S(=O)(=O)Cc3cccc(Cl)c3)n2)cc1 ZINC000223628841 568553991 /nfs/dbraw/zinc/55/39/91/568553991.db2.gz BTUPNPBZACBGRG-UHFFFAOYSA-N 0 0 419.934 4.475 40 0 HIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1 ZINC000223652218 568555028 /nfs/dbraw/zinc/55/50/28/568555028.db2.gz KTCAOKODRIXDSB-QHCPKHFHSA-N 0 0 410.558 4.406 40 0 HIABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C ZINC000223655301 568555144 /nfs/dbraw/zinc/55/51/44/568555144.db2.gz VIFCIHOOAPATHG-QFIPXVFZSA-N 0 0 410.558 4.406 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000223671266 568555761 /nfs/dbraw/zinc/55/57/61/568555761.db2.gz RJHULCQYQWXSQY-IBGZPJMESA-N 0 0 410.558 4.225 40 0 HIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1C ZINC000223674054 568555770 /nfs/dbraw/zinc/55/57/70/568555770.db2.gz QMBGEVTYNXNNRY-QFIPXVFZSA-N 0 0 410.558 4.268 40 0 HIABRN CCOc1ccc(CNS(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1OCC ZINC000223702819 568556708 /nfs/dbraw/zinc/55/67/08/568556708.db2.gz LMXYHCAHZQXJPS-UHFFFAOYSA-N 0 0 407.532 4.095 40 0 HIABRN CC(C)(C)CC(C)(C)NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O ZINC000223711856 568556955 /nfs/dbraw/zinc/55/69/55/568556955.db2.gz ZIKGFRMQNBFEAP-UHFFFAOYSA-N 0 0 409.379 4.090 40 0 HIABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1 ZINC000223719280 568557417 /nfs/dbraw/zinc/55/74/17/568557417.db2.gz JDXAPFMIVOVCNN-KRWDZBQOSA-N 0 0 414.933 4.195 40 0 HIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1 ZINC000223744214 568557890 /nfs/dbraw/zinc/55/78/90/568557890.db2.gz GPWLLEZXVXLSEL-QHCPKHFHSA-N 0 0 410.558 4.406 40 0 HIABRN COCc1cccc(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c1 ZINC000223748867 568557965 /nfs/dbraw/zinc/55/79/65/568557965.db2.gz JNOXPTAUXIVTID-UHFFFAOYSA-N 0 0 424.522 4.052 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccc(C)cc1 ZINC000223755700 568558156 /nfs/dbraw/zinc/55/81/56/568558156.db2.gz QQCFVGXHVHZRJZ-SFHVURJKSA-N 0 0 416.949 4.361 40 0 HIABRN Cc1ccc(OCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)cc1C ZINC000223778529 568558779 /nfs/dbraw/zinc/55/87/79/568558779.db2.gz HDJPJJAXHRTJTN-NRFANRHFSA-N 0 0 422.569 4.467 40 0 HIABRN Cc1cccc(CN(C(=O)COc2ccc(C)c(C)c2)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000223805103 568559501 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HIABRN COc1ccc(S(=O)(=O)NCCOc2ccc(Cl)cc2)c(Cl)c1Cl ZINC000223851961 568560802 /nfs/dbraw/zinc/56/08/02/568560802.db2.gz XPTNMDPLZGIKGO-UHFFFAOYSA-N 0 0 410.706 4.013 40 0 HIABRN Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)cc1 ZINC000223852043 568560996 /nfs/dbraw/zinc/56/09/96/568560996.db2.gz LDTZIZAUWZHBFC-YADHBBJMSA-N 0 0 416.506 4.407 40 0 HIABRN Cc1cc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc(C)c1Cl ZINC000223855636 568561026 /nfs/dbraw/zinc/56/10/26/568561026.db2.gz BJBYSQPIXOBBBM-LSDHHAIUSA-N 0 0 409.935 4.005 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 ZINC000223877278 568561660 /nfs/dbraw/zinc/56/16/60/568561660.db2.gz BNKRCFZWDHZPTH-HNNXBMFYSA-N 0 0 407.341 4.398 40 0 HIABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1cc(C)cc(C)c1C ZINC000223876917 568561666 /nfs/dbraw/zinc/56/16/66/568561666.db2.gz RADRIHIXFDKRGV-IBGZPJMESA-N 0 0 414.521 4.073 40 0 HIABRN COC(=O)c1cc(S(=O)(=O)N(C)Cc2cccc3ccccc32)ccc1Cl ZINC000223899327 568562433 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COc1ccccc1[C@H](C)NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C ZINC000224152826 568571664 /nfs/dbraw/zinc/57/16/64/568571664.db2.gz OTPVZBVWBQFCGI-KRWDZBQOSA-N 0 0 424.522 4.295 40 0 HIABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 ZINC000224169709 568572266 /nfs/dbraw/zinc/57/22/66/568572266.db2.gz JJAAVURNBLMYDM-QHCPKHFHSA-N 0 0 410.558 4.441 40 0 HIABRN CCCc1ccc(OCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000224180346 568572694 /nfs/dbraw/zinc/57/26/94/568572694.db2.gz ZONMXNKEUQPPAL-UHFFFAOYSA-N 0 0 402.343 4.444 40 0 HIABRN Cc1cc(C(=O)NCCC2=CCCCC2)ccc1N(C)S(=O)(=O)c1ccccc1 ZINC000224193564 568573257 /nfs/dbraw/zinc/57/32/57/568573257.db2.gz HPAPFWCDIDFECL-UHFFFAOYSA-N 0 0 412.555 4.440 40 0 HIABRN Cc1ccc(CN(C(=O)COc2ccc(C)c(C)c2)[C@H](C)C(=O)NCC(C)C)cc1 ZINC000224194919 568573284 /nfs/dbraw/zinc/57/32/84/568573284.db2.gz RNPFJJVSOOFZRX-OAQYLSRUSA-N 0 0 410.558 4.180 40 0 HIABRN Cc1ccc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224240662 568574826 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CCn1cc(C(=O)Nc2ccc(NC(C)=O)cc2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022236870 558470946 /nfs/dbraw/zinc/47/09/46/558470946.db2.gz VLEWJGYLSXUHQP-UHFFFAOYSA-N 0 0 417.387 4.251 40 0 HIABRN CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3nc(CC)sc3c2)cc1 ZINC000022255165 558474223 /nfs/dbraw/zinc/47/42/23/558474223.db2.gz RIZPZSYYYOSCHD-UHFFFAOYSA-N 0 0 405.501 4.228 40 0 HIABRN CC[C@H](NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O)c1ccc(C)cc1C ZINC000022337503 558481740 /nfs/dbraw/zinc/48/17/40/558481740.db2.gz DHLRDUWMCRASDJ-IBGZPJMESA-N 0 0 422.978 4.299 40 0 HIABRN O=C(CN(c1ccccc1F)S(=O)(=O)c1cccs1)NCCC1=CCCCC1 ZINC000022389208 558485771 /nfs/dbraw/zinc/48/57/71/558485771.db2.gz TWCYVBWFIIENMQ-UHFFFAOYSA-N 0 0 422.547 4.089 40 0 HIABRN CCc1cccc(CC)c1NC(=O)CN(c1ccc(OC(C)C)cc1)S(C)(=O)=O ZINC000022390995 558485979 /nfs/dbraw/zinc/48/59/79/558485979.db2.gz QNYBSKOZRHZNOP-UHFFFAOYSA-N 0 0 418.559 4.003 40 0 HIABRN CN(C(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)C1CCCCC1 ZINC000022428393 558489183 /nfs/dbraw/zinc/48/91/83/558489183.db2.gz AOQQUGIEPALBMG-UHFFFAOYSA-N 0 0 420.962 4.326 40 0 HIABRN O=c1[nH]c(N2CCc3ccccc32)nc2nccc(-c3ccc(Br)cc3)c12 ZINC000022606814 558500611 /nfs/dbraw/zinc/50/06/11/558500611.db2.gz PJTAWRARBVWAKA-UHFFFAOYSA-N 0 0 419.282 4.442 40 0 HIABRN O=C(Oc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1)c1cccc(Cl)c1 ZINC000004422483 558536849 /nfs/dbraw/zinc/53/68/49/558536849.db2.gz NNOXEUGELRNOTQ-UHFFFAOYSA-N 0 0 405.837 4.398 40 0 HIABRN Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000013583250 558545560 /nfs/dbraw/zinc/54/55/60/558545560.db2.gz HOZULENFQXVKBV-UHFFFAOYSA-N 0 0 422.550 4.088 40 0 HIABRN COc1ccc(-c2c(C)nn3c2nnc(C(=O)Nc2cccc(Cl)c2)c3C)cc1 ZINC000013635842 558554144 /nfs/dbraw/zinc/55/41/44/558554144.db2.gz ZVGCCSKOHGOBLY-UHFFFAOYSA-N 0 0 407.861 4.322 40 0 HIABRN CC(C)c1ccc(N(CC(=O)N2CCC[C@H](C)C2)S(=O)(=O)c2ccccc2)cc1 ZINC000013667751 558560112 /nfs/dbraw/zinc/56/01/12/558560112.db2.gz AATIMOHHABYHJG-IBGZPJMESA-N 0 0 414.571 4.264 40 0 HIABRN Cc1ccc(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000013675903 558564460 /nfs/dbraw/zinc/56/44/60/558564460.db2.gz DIPMGKNHSLGMHP-UHFFFAOYSA-N 0 0 422.550 4.467 40 0 HIABRN O=C(CCSCc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000013687984 558570816 /nfs/dbraw/zinc/57/08/16/558570816.db2.gz GIKWYARBEQJWLU-UHFFFAOYSA-N 0 0 418.584 4.123 40 0 HIABRN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(I)cc1 ZINC000013709649 558575379 /nfs/dbraw/zinc/57/53/79/558575379.db2.gz OLUMPFNJDPXHRQ-SNVBAGLBSA-N 0 0 401.631 4.351 40 0 HIABRN CC[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N(c1ccccc1)S(C)(=O)=O ZINC000013711592 558576329 /nfs/dbraw/zinc/57/63/29/558576329.db2.gz LCLASICNZKOAEE-MRXNPFEDSA-N 0 0 401.315 4.177 40 0 HIABRN CC[C@@H](C(=O)Nc1cc(Cl)ccc1OC)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716333 558579454 /nfs/dbraw/zinc/57/94/54/558579454.db2.gz DLKDLFXNVFBNHQ-SFHVURJKSA-N 0 0 424.950 4.149 40 0 HIABRN CC[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716489 558579616 /nfs/dbraw/zinc/57/96/16/558579616.db2.gz RXKYARKVLZCHST-GOSISDBHSA-N 0 0 412.914 4.279 40 0 HIABRN COc1ccc(CCNC(=S)Nc2ccc(Br)cc2F)cc1OC ZINC000013788521 558593764 /nfs/dbraw/zinc/59/37/64/558593764.db2.gz QPZRNENRQUZZPZ-UHFFFAOYSA-N 0 0 413.312 4.135 40 0 HIABRN Cc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000024606066 558602654 /nfs/dbraw/zinc/60/26/54/558602654.db2.gz BZRYKLVVUQXKGS-UHFFFAOYSA-N 0 0 414.914 4.482 40 0 HIABRN CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(OC)cc1 ZINC000024637232 558605938 /nfs/dbraw/zinc/60/59/38/558605938.db2.gz RUSBSFZHPACYFN-QFIPXVFZSA-N 0 0 424.522 4.377 40 0 HIABRN O=C1C[C@@H](N2CCc3c4ccccc4[nH]c3[C@H]2c2ccccc2)C(=O)N1c1ccccc1 ZINC000038783666 558665056 /nfs/dbraw/zinc/66/50/56/558665056.db2.gz YVZRKSJKOBBHGS-ZEQKJWHPSA-N 0 0 421.500 4.448 40 0 HIABRN Cc1ccc(C)c(Nc2nc(N3CCN(c4ccccc4)CC3)nc3c2cnn3C)c1 ZINC000027666447 558679768 /nfs/dbraw/zinc/67/97/68/558679768.db2.gz MKCRBDZPYHONLY-UHFFFAOYSA-N 0 0 413.529 4.050 40 0 HIABRN O=C(COc1cccc(C=C2SC(=O)NC2=O)c1)Nc1ccc2ccccc2c1 ZINC000015056337 558704583 /nfs/dbraw/zinc/70/45/83/558704583.db2.gz MHSNWPBOGRMYFL-ODLFYWEKSA-N 0 0 404.447 4.181 40 0 HIABRN COc1ccc(Cn2nc(-c3cn(C)nc3C)c(Cl)c2-c2cn(C)nc2C)cc1 ZINC000036611556 558726093 /nfs/dbraw/zinc/72/60/93/558726093.db2.gz OXLKNKCJGDYBCC-UHFFFAOYSA-N 0 0 410.909 4.011 40 0 HIABRN CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc21 ZINC000015243730 558729651 /nfs/dbraw/zinc/72/96/51/558729651.db2.gz GAHYYTPFZHKIRU-UHFFFAOYSA-N 0 0 418.824 4.069 40 0 HIABRN COc1cccc(CN(C)C(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)c1 ZINC000015354557 558735365 /nfs/dbraw/zinc/73/53/65/558735365.db2.gz XMHYXCYZJBWKGA-UHFFFAOYSA-N 0 0 424.522 4.077 40 0 HIABRN COc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1N1CCCC1=O ZINC000030757958 558737679 /nfs/dbraw/zinc/73/76/79/558737679.db2.gz KOHJCWFPVDWBFL-UHFFFAOYSA-N 0 0 402.516 4.055 40 0 HIABRN O=C(Nc1c(Cl)cccc1Cl)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000030859909 558741634 /nfs/dbraw/zinc/74/16/34/558741634.db2.gz FDSMKDNZROGTGO-UHFFFAOYSA-N 0 0 413.326 4.171 40 0 HIABRN O=C(Nc1ccccc1-c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000015643785 558747182 /nfs/dbraw/zinc/74/71/82/558747182.db2.gz NSCACLJEBBJBSQ-UHFFFAOYSA-N 0 0 406.507 4.390 40 0 HIABRN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(O)cc2)N2CCOCC2)c1C ZINC000020192414 558756182 /nfs/dbraw/zinc/75/61/82/558756182.db2.gz HNWBUBUODLODSA-HXUWFJFHSA-N 0 0 412.511 4.337 40 0 HIABRN CCN(CC(=O)Nc1ccc(Cl)cc1C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000033682038 558770616 /nfs/dbraw/zinc/77/06/16/558770616.db2.gz QXWDQLIFDWMVFC-UHFFFAOYSA-N 0 0 416.930 4.451 40 0 HIABRN COC(=O)CC/C=C/CC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/C[C@](C)(O)/C=C/C1=CCCC1 ZINC000034192610 558773208 /nfs/dbraw/zinc/77/32/08/558773208.db2.gz ZZVPHCPLTZTOBC-FMDKOLOYSA-N 0 0 416.558 4.206 40 0 HIABRN Cc1cc(C)cc(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 ZINC000016269207 558782763 /nfs/dbraw/zinc/78/27/63/558782763.db2.gz LKFBHFXVMMIHKO-UHFFFAOYSA-N 0 0 410.495 4.122 40 0 HIABRN Cc1ccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)cc1 ZINC000016293264 558784443 /nfs/dbraw/zinc/78/44/43/558784443.db2.gz RJCWGKBWKKAFGL-KRWDZBQOSA-N 0 0 416.543 4.012 40 0 HIABRN CC[C@H](C(=O)N[C@H](CC(C)C)c1ccccc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000036067594 558797466 /nfs/dbraw/zinc/79/74/66/558797466.db2.gz BNFKAFYZFBSQBS-NHCUHLMSSA-N 0 0 420.550 4.274 40 0 HIABRN O=C1C[C@H](Nc2ccccc2Br)C(=O)N1c1cccc(Cl)c1Cl ZINC000036635869 558800379 /nfs/dbraw/zinc/80/03/79/558800379.db2.gz ZIGLUJSTWMOKCB-LBPRGKRZSA-N 0 0 414.086 4.500 40 0 HIABRN CCOc1cccc(-c2nnc(SCC(=O)c3ccc(Cl)c(Cl)c3)n2N)c1 ZINC000016755961 558805605 /nfs/dbraw/zinc/80/56/05/558805605.db2.gz DYZDMTVMOJESFQ-UHFFFAOYSA-N 0 0 423.325 4.339 40 0 HIABRN COc1ccc(-c2cnn3c2ncc(C(=O)Nc2ccc(F)cc2)c3C)cc1OC ZINC000038829674 558816249 /nfs/dbraw/zinc/81/62/49/558816249.db2.gz IEPIFMLYUZZQDR-UHFFFAOYSA-N 0 0 406.417 4.113 40 0 HIABRN Cc1ccc(C(=O)NC(=S)Nc2ccc(I)cc2C)c(C)c1 ZINC000017093786 558822202 /nfs/dbraw/zinc/82/22/02/558822202.db2.gz SKLFPPJHPMRRPE-UHFFFAOYSA-N 0 0 424.307 4.343 40 0 HIABRN CCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@H]3CC(C)C)C2=O)cc1 ZINC000101041305 558825835 /nfs/dbraw/zinc/82/58/35/558825835.db2.gz PVHNACHDIDKRKZ-BDTNDASRSA-N 0 0 408.498 4.200 40 0 HIABRN Cc1c(Cl)cccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cccnc3)[C@@H]2C1=O ZINC000101075528 558826498 /nfs/dbraw/zinc/82/64/98/558826498.db2.gz TXGUTMNUCUJRAZ-HBMCJLEFSA-N 0 0 419.868 4.095 40 0 HIABRN C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000019079728 558838942 /nfs/dbraw/zinc/83/89/42/558838942.db2.gz QIDOCWZQNVEKEI-LHSJRXKWSA-N 0 0 410.857 4.137 40 0 HIABRN C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC000019080759 558839288 /nfs/dbraw/zinc/83/92/88/558839288.db2.gz JWXKPFSBDVKCBJ-GFCCVEGCSA-N 0 0 400.431 4.008 40 0 HIABRN CC(C)(C)C(=O)N1CCc2nc(-c3ccncc3)nc(Nc3cc(F)cc(F)c3)c2C1 ZINC000019081515 558839640 /nfs/dbraw/zinc/83/96/40/558839640.db2.gz JDNPDZFAUCTVGQ-UHFFFAOYSA-N 0 0 423.467 4.491 40 0 HIABRN CN(Cc1ccccc1)C(=O)c1c[nH]nc1-c1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000019082212 558840060 /nfs/dbraw/zinc/84/00/60/558840060.db2.gz IPMDCIMPNHMMGR-UHFFFAOYSA-N 0 0 404.514 4.011 40 0 HIABRN CC(C)(C)c1nn(-c2ccccc2)c2nc3c(cc21)CN(C[C@H]1CCCO1)C(=O)O3 ZINC000019083566 558840586 /nfs/dbraw/zinc/84/05/86/558840586.db2.gz DXKWLPPTVNVPCF-QGZVFWFLSA-N 0 0 406.486 4.211 40 0 HIABRN CN(Cc1ccccc1F)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000046868380 558841208 /nfs/dbraw/zinc/84/12/08/558841208.db2.gz ZUQBHUQPFXKXFU-UHFFFAOYSA-N 0 0 416.449 4.038 40 0 HIABRN Cc1cc(C(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4nc(C(C)(C)C)cc4N3)CC2)on1 ZINC000019119694 558842735 /nfs/dbraw/zinc/84/27/35/558842735.db2.gz FOPQVGVQXDGFHR-LSDHHAIUSA-N 0 0 421.492 4.020 40 0 HIABRN Cc1csc(C(=O)N2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)c1 ZINC000019124573 558844360 /nfs/dbraw/zinc/84/43/60/558844360.db2.gz ZZGAARZDGQHJGO-SFHVURJKSA-N 0 0 407.543 4.342 40 0 HIABRN Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)Cc2ccc(C)cc2)c1C ZINC000019209556 558848054 /nfs/dbraw/zinc/84/80/54/558848054.db2.gz HFVRDKUBABKHIP-HXUWFJFHSA-N 0 0 419.529 4.029 40 0 HIABRN Cc1ccc(CC(=O)NCCn2cc(-c3ccncc3)c(-c3cccs3)n2)cc1 ZINC000019210015 558848227 /nfs/dbraw/zinc/84/82/27/558848227.db2.gz RVWCWILJBYXPFK-UHFFFAOYSA-N 0 0 402.523 4.341 40 0 HIABRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nc(C)ncc2-c2ccncc2C)cc1 ZINC000019211491 558848463 /nfs/dbraw/zinc/84/84/63/558848463.db2.gz ZNVXPTTYIXRPFI-QFIPXVFZSA-N 0 0 422.554 4.380 40 0 HIABRN Cc1ccc(-c2ccccc2C[C@@H]2CN(C(=O)c3cccc(F)c3)CCNC2=O)cc1 ZINC000019212895 558849037 /nfs/dbraw/zinc/84/90/37/558849037.db2.gz QCVPBQFMNBQCHN-JOCHJYFZSA-N 0 0 416.496 4.232 40 0 HIABRN Cc1cccc(C2(CNC(=O)CCn3ccnc3-c3ccccc3)CCOCC2)c1 ZINC000019234544 558853861 /nfs/dbraw/zinc/85/38/61/558853861.db2.gz ISIPCSHDBDXBGY-UHFFFAOYSA-N 0 0 403.526 4.113 40 0 HIABRN Cc1cccc(CC(=O)N2CC[C@](Cc3ccc(-c4cccs4)cc3)(C(N)=O)C2)c1 ZINC000019234586 558853891 /nfs/dbraw/zinc/85/38/91/558853891.db2.gz ZJCDWXDWKKXBLK-RUZDIDTESA-N 0 0 418.562 4.213 40 0 HIABRN Cc1cccc(N2C[C@@H](c3cc(=O)[nH]c(N[C@@H](C)c4ccccc4)n3)CC2=O)c1C ZINC000019235561 558854520 /nfs/dbraw/zinc/85/45/20/558854520.db2.gz UJTSGPZFHDYLLA-HKUYNNGSSA-N 0 0 402.498 4.080 40 0 HIABRN COc1nc2ccccc2nc1CCC(=O)N[C@@H](C)Cc1c[nH]c2c1cccc2C ZINC000019236605 558855773 /nfs/dbraw/zinc/85/57/73/558855773.db2.gz BIBJTVFXELHNMW-INIZCTEOSA-N 0 0 402.498 4.108 40 0 HIABRN Cc1cnccc1-c1c[nH]nc1[C@@H]1CCCN1C(=O)CCCOc1cccc(F)c1 ZINC000019239612 558858185 /nfs/dbraw/zinc/85/81/85/558858185.db2.gz AYLCHIIFMOEBQR-NRFANRHFSA-N 0 0 408.477 4.442 40 0 HIABRN Cc1cnn(Cc2ccc(C(=O)N3CCC(c4noc5cc(F)ccc54)CC3)o2)c1 ZINC000019240022 558858735 /nfs/dbraw/zinc/85/87/35/558858735.db2.gz NJFVQVPIASIZSR-UHFFFAOYSA-N 0 0 408.433 4.133 40 0 HIABRN COc1ccc([C@H]2CCCN2C(=O)c2cc(-c3ccc(F)cc3)n(C)n2)cc1OC ZINC000019288743 558861610 /nfs/dbraw/zinc/86/16/10/558861610.db2.gz UZHVGUDNJADTDR-LJQANCHMSA-N 0 0 409.461 4.221 40 0 HIABRN Cn1cc(CCC(=O)N2CC[C@@H](c3nnc(-c4cccs4)o3)C2)c2ccccc21 ZINC000019290403 558862859 /nfs/dbraw/zinc/86/28/59/558862859.db2.gz FOIPZTBNJGOLKE-MRXNPFEDSA-N 0 0 406.511 4.239 40 0 HIABRN O=C(NC1CCCCC1)c1cc([C@H]2CCCN(Cc3ccc(F)c(F)c3)C2)no1 ZINC000019292915 558864648 /nfs/dbraw/zinc/86/46/48/558864648.db2.gz JAHVJOUTFVWYTR-INIZCTEOSA-N 0 0 403.473 4.395 40 0 HIABRN O=C(Nc1ccc(N2CCCCC2)c(C(F)(F)F)c1)c1cc2c([nH]c1=O)CCC2 ZINC000019293113 558864784 /nfs/dbraw/zinc/86/47/84/558864784.db2.gz WMOJAQHWNKIYOX-UHFFFAOYSA-N 0 0 405.420 4.125 40 0 HIABRN O=C(C1CC1)N1CC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 ZINC000019294137 558865659 /nfs/dbraw/zinc/86/56/59/558865659.db2.gz MRSLMEMEHRBQMK-KRWDZBQOSA-N 0 0 403.461 4.147 40 0 HIABRN O=C(C1CC1)N1CCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 ZINC000019294091 558865663 /nfs/dbraw/zinc/86/56/63/558865663.db2.gz OSRHXHPVEXBQDY-HXUWFJFHSA-N 0 0 403.461 4.495 40 0 HIABRN O=C(C1CC1)N1CC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 ZINC000019294135 558865724 /nfs/dbraw/zinc/86/57/24/558865724.db2.gz MRSLMEMEHRBQMK-QGZVFWFLSA-N 0 0 403.461 4.147 40 0 HIABRN O=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000054569353 558868425 /nfs/dbraw/zinc/86/84/25/558868425.db2.gz QHNSKKCBCHQJPF-QPJJXVBHSA-N 0 0 419.500 4.271 40 0 HIABRN NC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCCN(C(=O)CCC2CCCC2)C1 ZINC000019340659 558871655 /nfs/dbraw/zinc/87/16/55/558871655.db2.gz CHXYXFWISSJTTC-AREMUKBSSA-N 0 0 419.569 4.356 40 0 HIABRN NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)CCc2ccccc2)C1 ZINC000019370622 558878836 /nfs/dbraw/zinc/87/88/36/558878836.db2.gz WLBVORTYIKFXCE-RUZDIDTESA-N 0 0 418.562 4.294 40 0 HIABRN O=c1[nH]c(-c2ccncc2)nc2c1CCN(Cc1cccc(Oc3ccccc3)c1)C2 ZINC000019373585 558880725 /nfs/dbraw/zinc/88/07/25/558880725.db2.gz OPKIQSCOPXNZON-UHFFFAOYSA-N 0 0 410.477 4.183 40 0 HIABRN O=C(c1ccco1)N(Cc1cc(-c2ccccc2)cn2nnnc12)C1CCCCC1 ZINC000019374010 558880952 /nfs/dbraw/zinc/88/09/52/558880952.db2.gz BRCGDBPHSWLHJU-UHFFFAOYSA-N 0 0 401.470 4.359 40 0 HIABRN CCOC(=O)C1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1 ZINC000055530363 558881846 /nfs/dbraw/zinc/88/18/46/558881846.db2.gz NFHTVLBPYYLYRF-UHFFFAOYSA-N 0 0 404.466 4.424 40 0 HIABRN O=C(C1CCCCC1)N1CCC(c2nc(NC3CC3)ncc2-c2ccncc2)CC1 ZINC000019405735 558884935 /nfs/dbraw/zinc/88/49/35/558884935.db2.gz QAMSLVMPWRVYKQ-UHFFFAOYSA-N 0 0 405.546 4.399 40 0 HIABRN CC(C)CC(=O)N1CCC[C@@](Cc2cccc(-c3cccnc3)c2)(C(=O)N(C)C)C1 ZINC000019446319 558886099 /nfs/dbraw/zinc/88/60/99/558886099.db2.gz XVXSTWDNMNARRI-VWLOTQADSA-N 0 0 407.558 4.034 40 0 HIABRN CC(C)CC(=O)N[C@H](c1ccccn1)C1CCN(Cc2cccc(F)c2F)CC1 ZINC000019446696 558886463 /nfs/dbraw/zinc/88/64/63/558886463.db2.gz FIWHNHFKRMTVBM-QHCPKHFHSA-N 0 0 401.501 4.475 40 0 HIABRN CC(C)CNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)C2CCC2)C1 ZINC000019447226 558886497 /nfs/dbraw/zinc/88/64/97/558886497.db2.gz GUDJDSKUTMLSIL-AREMUKBSSA-N 0 0 419.569 4.082 40 0 HIABRN C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1C ZINC000013849540 558886647 /nfs/dbraw/zinc/88/66/47/558886647.db2.gz CYYUCWQFBSSITB-CYBMUJFWSA-N 0 0 402.907 4.339 40 0 HIABRN CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)C2CCC2)C1 ZINC000019449069 558887617 /nfs/dbraw/zinc/88/76/17/558887617.db2.gz YUJUUZBLONSOFN-SANMLTNESA-N 0 0 404.554 4.440 40 0 HIABRN CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)Cc3ccccn3)cc2n1 ZINC000019452322 558890346 /nfs/dbraw/zinc/89/03/46/558890346.db2.gz SRYJVLBYUJWIGI-QGZVFWFLSA-N 0 0 417.435 4.173 40 0 HIABRN C[C@@H](CCc1ccc(F)cc1)NC(=O)c1cc(C(C)(C)C)oc1CN1CCOCC1 ZINC000019455751 558891908 /nfs/dbraw/zinc/89/19/08/558891908.db2.gz ZAFJWAOOFOIAHC-KRWDZBQOSA-N 0 0 416.537 4.300 40 0 HIABRN C[C@H](NC(=O)C1CCN(c2ncnc3ccccc32)CC1)c1ccc2c(c1)CCCO2 ZINC000019458869 558892828 /nfs/dbraw/zinc/89/28/28/558892828.db2.gz PMFJFCNXEJZVBE-KRWDZBQOSA-N 0 0 416.525 4.049 40 0 HIABRN COc1ccccc1-c1noc(CCC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2C)n1 ZINC000019498284 558896926 /nfs/dbraw/zinc/89/69/26/558896926.db2.gz XDWNFRSUGQHHBO-OAHLLOKOSA-N 0 0 416.481 4.305 40 0 HIABRN CCC(CC)C(=O)N1CCC[C@@](Cc2ccccc2-c2cccnc2)(C(=O)NC)C1 ZINC000019500134 558898294 /nfs/dbraw/zinc/89/82/94/558898294.db2.gz XRSGPTGSFFZYEF-VWLOTQADSA-N 0 0 407.558 4.082 40 0 HIABRN CCCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)C2CCC2)C1 ZINC000019503528 558900530 /nfs/dbraw/zinc/90/05/30/558900530.db2.gz NXMBHPHZGNHNAF-AREMUKBSSA-N 0 0 419.569 4.226 40 0 HIABRN CCc1[nH]nc(C(=O)N2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)c1C ZINC000019520919 558902281 /nfs/dbraw/zinc/90/22/81/558902281.db2.gz SGGKFYGRTMTRCK-UHFFFAOYSA-N 0 0 403.433 4.083 40 0 HIABRN CCc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(C(=O)c2cccnc2)C1 ZINC000019521996 558903247 /nfs/dbraw/zinc/90/32/47/558903247.db2.gz QJFOWEFBGFPVQS-ZDUSSCGKSA-N 0 0 404.392 4.219 40 0 HIABRN CCc1cc2c(ncnc2NCC(=O)N[C@@H](c2ccc(C)cc2)c2cccnc2)s1 ZINC000019522853 558903995 /nfs/dbraw/zinc/90/39/95/558903995.db2.gz UUKOFHOIKCWULF-NRFANRHFSA-N 0 0 417.538 4.275 40 0 HIABRN CCNC(=O)[C@]1(Cc2ccccc2-c2cccc(C)c2)CCN(C(=O)C2CCC2)C1 ZINC000019528839 558910206 /nfs/dbraw/zinc/91/02/06/558910206.db2.gz VNMOVSPLMBPCMZ-SANMLTNESA-N 0 0 404.554 4.359 40 0 HIABRN CCOC(=O)C1(Cc2cc(-c3ccccc3C)no2)CCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC000019530142 558911433 /nfs/dbraw/zinc/91/14/33/558911433.db2.gz KVJIDHSPHFXAKH-PXNSSMCTSA-N 0 0 410.514 4.020 40 0 HIABRN CCOC(=O)c1cc(Cl)cnc1C1CCN(C(=O)c2ccc(COC)cc2)CC1 ZINC000019530745 558911604 /nfs/dbraw/zinc/91/16/04/558911604.db2.gz HROJVZSJUJBPKR-UHFFFAOYSA-N 0 0 416.905 4.078 40 0 HIABRN CCOc1ccc(CN2CCCC[C@@H]2c2cc(=O)[nH]c(-c3cccnc3)n2)cc1OC ZINC000019533849 558913227 /nfs/dbraw/zinc/91/32/27/558913227.db2.gz WTMLHAPKLBPOKK-HXUWFJFHSA-N 0 0 420.513 4.379 40 0 HIABRN COc1ccc(OC)c2[nH]c(C(=O)N3CCC[C@@H](c4cc5ncccc5[nH]4)C3)cc21 ZINC000019552900 558916221 /nfs/dbraw/zinc/91/62/21/558916221.db2.gz UHPCDROAKSZJKO-CQSZACIVSA-N 0 0 404.470 4.081 40 0 HIABRN Cc1nn([C@@H](C)CC(=O)N2CCC[C@@H](c3nc4ccccc4cc3N)C2)c(C)c1C ZINC000019556116 558918748 /nfs/dbraw/zinc/91/87/48/558918748.db2.gz DFQVVTSVQNRQTC-MGPUTAFESA-N 0 0 405.546 4.296 40 0 HIABRN Cc1ncsc1C(=O)N1CCC(c2cc(C(F)(F)F)c3c(C)noc3n2)CC1 ZINC000019564838 558924804 /nfs/dbraw/zinc/92/48/04/558924804.db2.gz CTARXJTYSADCCV-UHFFFAOYSA-N 0 0 410.421 4.335 40 0 HIABRN COc1cccc([C@H](NC(=O)[C@@H]2COc3ccc(OC)cc3C2)c2ccccc2)c1 ZINC000019564904 558925050 /nfs/dbraw/zinc/92/50/50/558925050.db2.gz KQHVGHCDRVCXSI-GBXCKJPGSA-N 0 0 403.478 4.161 40 0 HIABRN COc1cccc(-c2noc([C@@H]3CN(C(=O)c4oc5ccccc5c4C)CCO3)n2)c1 ZINC000019566186 558925980 /nfs/dbraw/zinc/92/59/80/558925980.db2.gz KHVWTPRHTQUDJQ-IBGZPJMESA-N 0 0 419.437 4.014 40 0 HIABRN COc1cccc(-c2noc(CCC(=O)N3CCC[C@H](Cc4ccccc4)C3)n2)c1 ZINC000019566826 558926542 /nfs/dbraw/zinc/92/65/42/558926542.db2.gz MHIPJLMLHKWQIY-LJQANCHMSA-N 0 0 405.498 4.159 40 0 HIABRN Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(C(=O)c2cnn(C(C)C)c2)C1 ZINC000019568846 558927937 /nfs/dbraw/zinc/92/79/37/558927937.db2.gz MZAKDVGZISUCOR-CYBMUJFWSA-N 0 0 421.423 4.347 40 0 HIABRN Cc1cc(C)cc(C2(CNC(=O)c3cccc(Cn4cccn4)c3)CCOCC2)c1 ZINC000019569597 558928472 /nfs/dbraw/zinc/92/84/72/558928472.db2.gz ZCVLJHAIBONYRB-UHFFFAOYSA-N 0 0 403.526 4.026 40 0 HIABRN COc1ccc(CC(=O)N2CCC[C@H]2c2nc(C)ncc2-c2ccncc2C)cc1C ZINC000019571139 558929875 /nfs/dbraw/zinc/92/98/75/558929875.db2.gz HMSUIVDTAVFELT-QFIPXVFZSA-N 0 0 416.525 4.379 40 0 HIABRN CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000059132918 558932314 /nfs/dbraw/zinc/93/23/14/558932314.db2.gz WPCPDQMJTWLXQD-UHFFFAOYSA-N 0 0 410.495 4.447 40 0 HIABRN Cc1nn(C[C@H](C)C(=O)N2CCC[C@@H](COc3ccccc3F)C2)c(C)c1Cl ZINC000019578082 558933782 /nfs/dbraw/zinc/93/37/82/558933782.db2.gz AQNFXAMHSPUTML-WMLDXEAASA-N 0 0 407.917 4.246 40 0 HIABRN Cc1nn(C[C@@H](C)C(=O)NCCc2nc(-c3ccccc3)cs2)c(C)c1Cl ZINC000019578212 558933903 /nfs/dbraw/zinc/93/39/03/558933903.db2.gz LOPVRSYQYQROKT-CYBMUJFWSA-N 0 0 402.951 4.272 40 0 HIABRN CN(C)C(=O)[C@@]1(Cc2ccccc2-c2ccccc2F)CCN(C(=O)C2CCC2)C1 ZINC000019579756 558935328 /nfs/dbraw/zinc/93/53/28/558935328.db2.gz DBMRNCDXEWEWCZ-RUZDIDTESA-N 0 0 408.517 4.142 40 0 HIABRN Cc1onc(-c2ccccc2)c1C(=O)NCc1nnc(-c2nccc3ccccc32)o1 ZINC000019579622 558935374 /nfs/dbraw/zinc/93/53/74/558935374.db2.gz MQGAQEHWAYKBLU-UHFFFAOYSA-N 0 0 411.421 4.178 40 0 HIABRN Cc1nn(C(C)C)cc1S(=O)(=O)N(Cc1ccc(Cl)cc1)Cc1cccnc1 ZINC000019583259 558937820 /nfs/dbraw/zinc/93/78/20/558937820.db2.gz NDTSXTPNKFJYBJ-UHFFFAOYSA-N 0 0 418.950 4.212 40 0 HIABRN CNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)CC2CCCC2)C1 ZINC000019591065 558941332 /nfs/dbraw/zinc/94/13/32/558941332.db2.gz UYWGNXHCLGVHIW-SANMLTNESA-N 0 0 419.569 4.226 40 0 HIABRN CCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(C(=O)CC(C)C)CC1 ZINC000072345029 558941443 /nfs/dbraw/zinc/94/14/43/558941443.db2.gz OENLLXJJAMFOIH-UHFFFAOYSA-N 0 0 407.558 4.082 40 0 HIABRN CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)c2cccnc2)C1 ZINC000019591227 558941494 /nfs/dbraw/zinc/94/14/94/558941494.db2.gz WFKRHMFOVCIVRM-DEOSSOPVSA-N 0 0 419.550 4.021 40 0 HIABRN COc1ccccc1-c1cccc(C[C@@]2(C(=O)NCCc3ccccn3)CCCO2)c1 ZINC000072345354 558941820 /nfs/dbraw/zinc/94/18/20/558941820.db2.gz CFYGHQUERNFOPM-AREMUKBSSA-N 0 0 416.521 4.208 40 0 HIABRN CNc1cc(C[C@H](NC(=O)Cc2ccccc2F)c2ccccc2)nc(C2CC2)n1 ZINC000019592132 558942886 /nfs/dbraw/zinc/94/28/86/558942886.db2.gz BIOAFPVZOYFEKK-NRFANRHFSA-N 0 0 404.489 4.178 40 0 HIABRN O=C(COc1ccc2ccccc2c1)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000061240503 558944883 /nfs/dbraw/zinc/94/48/83/558944883.db2.gz LFIWHMYQXTZUBL-UHFFFAOYSA-N 0 0 411.461 4.182 40 0 HIABRN CC1CCN(c2ccc(C(=O)N3CCC(n4c5ccccc5oc4=O)CC3)cc2)CC1 ZINC000072347866 558944947 /nfs/dbraw/zinc/94/49/47/558944947.db2.gz CHRIIXYIELLICX-UHFFFAOYSA-N 0 0 419.525 4.308 40 0 HIABRN COCc1ccc(C(=O)N2CCc3ncc(-c4ccc(OC)c(OC)c4)cc3C2)cc1 ZINC000019594427 558945287 /nfs/dbraw/zinc/94/52/87/558945287.db2.gz LBMLSFLZZHCXHU-UHFFFAOYSA-N 0 0 418.493 4.111 40 0 HIABRN CC(=O)Nc1cccc(-c2cccc([C@H]3CCCN(C(=O)c4cccnc4)C3)n2)c1 ZINC000072349100 558945938 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CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 ZINC000223243351 568542477 /nfs/dbraw/zinc/54/24/77/568542477.db2.gz ZLTKPHWHZYOPDJ-LJQANCHMSA-N 0 0 407.341 4.479 40 0 HIABRN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1 ZINC000223266020 568543308 /nfs/dbraw/zinc/54/33/08/568543308.db2.gz RULASZBRLHRKDW-KRWDZBQOSA-N 0 0 418.518 4.029 40 0 HIABRN CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CCC ZINC000223266473 568543310 /nfs/dbraw/zinc/54/33/10/568543310.db2.gz FFFNPZCODHVUEK-QHCPKHFHSA-N 0 0 410.558 4.352 40 0 HIABRN O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc21 ZINC000223266111 568543363 /nfs/dbraw/zinc/54/33/63/568543363.db2.gz KCCQBMQMAAJSOD-UHFFFAOYSA-N 0 0 418.518 4.031 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccccc1 ZINC000223268566 568543524 /nfs/dbraw/zinc/54/35/24/568543524.db2.gz CLMOEFPIFNLYCZ-LJQANCHMSA-N 0 0 414.521 4.318 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1cc(C)ccc1C ZINC000223272330 568543622 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COc1ccc(Br)cc1S(=O)(=O)N[C@H](C)c1cc(C)c(C)cc1C ZINC000223501395 568550489 /nfs/dbraw/zinc/55/04/89/568550489.db2.gz KBBFZIBUBAGWBZ-CQSZACIVSA-N 0 0 412.349 4.422 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccccc2)N1Cc1ccncc1 ZINC000223505669 568550537 /nfs/dbraw/zinc/55/05/37/568550537.db2.gz PQXLNWNGXPEPQR-DHIUTWEWSA-N 0 0 411.534 4.440 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000223505732 568550541 /nfs/dbraw/zinc/55/05/41/568550541.db2.gz UETVJCVBONLSCU-MRXNPFEDSA-N 0 0 404.963 4.376 40 0 HIABRN CCCn1c2ccc(S(=O)(=O)N[C@@H](C)c3cc(C)c(C)cc3C)cc2sc1=O ZINC000223506541 568550663 /nfs/dbraw/zinc/55/06/63/568550663.db2.gz BZFAPKOUUSESPM-INIZCTEOSA-N 0 0 418.584 4.438 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)ccc1C ZINC000223506757 568550683 /nfs/dbraw/zinc/55/06/83/568550683.db2.gz JHCZNXJVGKXYHJ-HXUWFJFHSA-N 0 0 410.558 4.188 40 0 HIABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)ccc1C ZINC000223506807 568550697 /nfs/dbraw/zinc/55/06/97/568550697.db2.gz JHCZNXJVGKXYHJ-FQEVSTJZSA-N 0 0 410.558 4.188 40 0 HIABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSc1ccc(C)cc1 ZINC000223515745 568550788 /nfs/dbraw/zinc/55/07/88/568550788.db2.gz XRHAKVXHAXRRPD-HXUWFJFHSA-N 0 0 412.599 4.463 40 0 HIABRN COc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)cc2)cc1OC ZINC000223521108 568550909 /nfs/dbraw/zinc/55/09/09/568550909.db2.gz FOGVRMJXYZKEAC-RGEXLXHISA-N 0 0 422.506 4.483 40 0 HIABRN COC(=O)c1cc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc(C(=O)OC)c1 ZINC000223532438 568551034 /nfs/dbraw/zinc/55/10/34/568551034.db2.gz ZCKGRXJOJIVFNM-OAHLLOKOSA-N 0 0 413.470 4.098 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2ccco2)N1Cc1ccccn1 ZINC000223530594 568551084 /nfs/dbraw/zinc/55/10/84/568551084.db2.gz NIQMCMNRWMGKTM-YADHBBJMSA-N 0 0 415.522 4.092 40 0 HIABRN CCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCc1ccco1)c1ccccc1 ZINC000223546731 568551401 /nfs/dbraw/zinc/55/14/01/568551401.db2.gz ZEVHPOIULXNMFP-QHCPKHFHSA-N 0 0 406.482 4.085 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1Cl ZINC000223549745 568551497 /nfs/dbraw/zinc/55/14/97/568551497.db2.gz QPHSRHAUHDJHFU-QGZVFWFLSA-N 0 0 418.990 4.435 40 0 HIABRN O=C(NCCOc1ccc2ccccc2c1)c1ccc(I)cc1 ZINC000223584132 568552384 /nfs/dbraw/zinc/55/23/84/568552384.db2.gz XJYOZSNQECDGSR-UHFFFAOYSA-N 0 0 417.246 4.253 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1Cl ZINC000223594976 568552803 /nfs/dbraw/zinc/55/28/03/568552803.db2.gz ROFHOBRXJUZHCO-KRWDZBQOSA-N 0 0 418.990 4.435 40 0 HIABRN Cc1c(Cl)cccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)o1 ZINC000223594885 568552814 /nfs/dbraw/zinc/55/28/14/568552814.db2.gz ZTGSDASTKFKBAC-PMACEKPBSA-N 0 0 413.930 4.268 40 0 HIABRN Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)o1 ZINC000223596064 568552845 /nfs/dbraw/zinc/55/28/45/568552845.db2.gz HIARTRLRXBPUQL-VQTJNVASSA-N 0 0 413.930 4.268 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1Cl ZINC000223594919 568552879 /nfs/dbraw/zinc/55/28/79/568552879.db2.gz ROFHOBRXJUZHCO-QGZVFWFLSA-N 0 0 418.990 4.435 40 0 HIABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccccc1C ZINC000223607758 568553293 /nfs/dbraw/zinc/55/32/93/568553293.db2.gz IHTDKVFGRDNWKV-QFIPXVFZSA-N 0 0 410.558 4.406 40 0 HIABRN Cc1cc(OCC(=O)NCCOc2ccc3ccccc3c2)ccc1Br ZINC000223613721 568553326 /nfs/dbraw/zinc/55/33/26/568553326.db2.gz KZTJEAVRKTYAHW-UHFFFAOYSA-N 0 0 414.299 4.485 40 0 HIABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1C1CCCCC1 ZINC000223613839 568553415 /nfs/dbraw/zinc/55/34/15/568553415.db2.gz HIFMLUMKTLYATN-FCHUYYIVSA-N 0 0 412.603 4.360 40 0 HIABRN Cc1ccccc1CS(=O)(=O)N(C)Cc1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000223625266 568553742 /nfs/dbraw/zinc/55/37/42/568553742.db2.gz GHJFEFTUDYVPRW-UHFFFAOYSA-N 0 0 413.543 4.304 40 0 HIABRN COc1ccc2cc(S(=O)(=O)NCCOc3ccc4ccccc4c3)ccc2c1 ZINC000223643879 568554661 /nfs/dbraw/zinc/55/46/61/568554661.db2.gz MLUPRGQXXSXVDE-UHFFFAOYSA-N 0 0 407.491 4.359 40 0 HIABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1Cl ZINC000223654253 568555154 /nfs/dbraw/zinc/55/51/54/568555154.db2.gz XVJDLLBLYLVGKS-UHFFFAOYSA-N 0 0 411.907 4.450 40 0 HIABRN CCOC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1C ZINC000223665348 568555489 /nfs/dbraw/zinc/55/54/89/568555489.db2.gz VWPZFNNOCVSYRW-UHFFFAOYSA-N 0 0 403.500 4.076 40 0 HIABRN CC[C@H](NS(=O)(=O)c1cc2c(cc1OC)CCCC2)c1ccc(OC)c(OC)c1 ZINC000223665386 568555511 /nfs/dbraw/zinc/55/55/11/568555511.db2.gz KADXHTMOGGIEMI-SFHVURJKSA-N 0 0 419.543 4.021 40 0 HIABRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(C)c1 ZINC000223674172 568555880 /nfs/dbraw/zinc/55/58/80/568555880.db2.gz DXEJEOUIYJAMPT-QFIPXVFZSA-N 0 0 410.558 4.268 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000223681724 568555930 /nfs/dbraw/zinc/55/59/30/568555930.db2.gz PRRYLGZTYAXCMS-OAHLLOKOSA-N 0 0 407.341 4.398 40 0 HIABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 ZINC000223683917 568556129 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CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000223727953 568557596 /nfs/dbraw/zinc/55/75/96/568557596.db2.gz BHQFJJNTZYZFKE-QGZVFWFLSA-N 0 0 418.990 4.435 40 0 HIABRN COc1ccc(S(=O)(=O)N(C)Cc2cccc3ccccc32)cc1Br ZINC000223730123 568557636 /nfs/dbraw/zinc/55/76/36/568557636.db2.gz PDHYINMFAHVBSS-UHFFFAOYSA-N 0 0 420.328 4.432 40 0 HIABRN Cc1cccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1C ZINC000223754631 568558124 /nfs/dbraw/zinc/55/81/24/568558124.db2.gz WCXKIFJGNGWZOF-HXUWFJFHSA-N 0 0 408.542 4.158 40 0 HIABRN CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000223770088 568558652 /nfs/dbraw/zinc/55/86/52/568558652.db2.gz TVTCKYRSSZRBER-ZDUSSCGKSA-N 0 0 411.304 4.228 40 0 HIABRN CSc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1C(=O)N1CCCCCC1 ZINC000223791810 568559180 /nfs/dbraw/zinc/55/91/80/568559180.db2.gz APTQQHNNMAOEFS-UHFFFAOYSA-N 0 0 418.584 4.250 40 0 HIABRN CCc1ccc(OCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000223805757 568559499 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CC[C@@H](NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O)c1ccccc1C ZINC000223300126 568544512 /nfs/dbraw/zinc/54/45/12/568544512.db2.gz KPSQYSADWSLWFN-HXUWFJFHSA-N 0 0 402.560 4.117 40 0 HIABRN Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)cc1 ZINC000223317178 568545012 /nfs/dbraw/zinc/54/50/12/568545012.db2.gz BETNCVRZNSGDMG-WWPVKYPJSA-N 0 0 418.566 4.332 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1C[C@@H]1CCCO1 ZINC000223321912 568545223 /nfs/dbraw/zinc/54/52/23/568545223.db2.gz MLSAETAYAMWUTG-MTNREXPMSA-N 0 0 405.523 4.493 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(F)cc1 ZINC000223326690 568545263 /nfs/dbraw/zinc/54/52/63/568545263.db2.gz OISOCVQKKAZDKT-GOSISDBHSA-N 0 0 411.304 4.228 40 0 HIABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 ZINC000223327704 568545369 /nfs/dbraw/zinc/54/53/69/568545369.db2.gz HZNCFVCFSOZSQR-LJQANCHMSA-N 0 0 407.341 4.398 40 0 HIABRN S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccnc2)N1Cc1ccco1 ZINC000223332328 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