smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCOc1ccc(C[NH2+][C@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])cc1 ZINC000426724919 1126082919 /nfs/dbraw/zinc/08/29/19/1126082919.db2.gz XAMSMGBNKPWZMJ-LJQANCHMSA-N 0 0 383.444 3.198 10 30 GGEERN COc1cc(C[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C(=O)[O-])cc(OC)c1 ZINC000594691473 1126098719 /nfs/dbraw/zinc/09/87/19/1126098719.db2.gz SMEIDDCSYOLCEB-FQEVSTJZSA-N 0 0 380.444 3.044 10 30 GGEERN COc1ccc(C[NH2+][C@H](Cc2cccc(Br)c2)C(=O)[O-])cc1C#N ZINC000756383766 1126108429 /nfs/dbraw/zinc/10/84/29/1126108429.db2.gz NQHQKVPEKZQVAE-MRXNPFEDSA-N 0 0 389.249 3.115 10 30 GGEERN COc1ccc(C[NH2+][C@@H](Cc2cccc(Br)c2)C(=O)[O-])cc1C#N ZINC000756383759 1126108456 /nfs/dbraw/zinc/10/84/56/1126108456.db2.gz NQHQKVPEKZQVAE-INIZCTEOSA-N 0 0 389.249 3.115 10 30 GGEERN COc1ccc(C(C)=NNC(=N)S[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000005221240 230839964 /nfs/dbraw/zinc/83/99/64/230839964.db2.gz CWWPPHYHFZSTSA-KOWBDXASSA-N 0 0 396.472 3.009 10 30 GGEERN CN(C)c1ccc(/C=N/NS(=O)(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000033154793 529774976 /nfs/dbraw/zinc/77/49/76/529774976.db2.gz FVLLWXBMJCPFCC-DEDYPNTBSA-N 0 0 398.444 3.126 10 30 GGEERN C=CCOC[C@@H](O)CN(Cc1nc2sc(C(C)C)cc2c(=O)[nH]1)CC(C)C ZINC000036313094 120306243 /nfs/dbraw/zinc/30/62/43/120306243.db2.gz ASHHVUYDCRLFCI-HNNXBMFYSA-N 0 0 393.553 3.130 10 30 GGEERN CN(C)/C=C1/C(=O)c2ccc(Cl)cc2N(Cc2ccccc2F)S1(=O)=O ZINC000045918749 120310200 /nfs/dbraw/zinc/31/02/00/120310200.db2.gz NOEOMVAVSWAUHQ-BOPFTXTBSA-N 0 0 394.855 3.415 10 30 GGEERN C=CCn1cnnc1SCC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O ZINC000006589843 203758130 /nfs/dbraw/zinc/75/81/30/203758130.db2.gz BZWSOXILSPRJHS-UHFFFAOYSA-N 0 0 399.501 3.022 10 30 GGEERN C=CCNC(=O)[C@H](C)Sc1nc(C)c(C(=O)Nc2ccccc2)cc1C#N ZINC000014255005 203777531 /nfs/dbraw/zinc/77/75/31/203777531.db2.gz QXFBHCIFTTXWER-AWEZNQCLSA-N 0 0 380.473 3.297 10 30 GGEERN Cn1c2ccccc2nc1C(C#N)=C1C(=O)N(c2ccccc2)C(=O)C1Cl ZINC000004005269 203793154 /nfs/dbraw/zinc/79/31/54/203793154.db2.gz LCWAXFDFQCIKKI-ZDUSSCGKSA-N 0 0 376.803 3.247 10 30 GGEERN CC(=O)Nc1ccc(-c2nc(C#N)c(C#N)nc2-c2ccc(NC(C)=O)cc2)cc1 ZINC000090568340 203829818 /nfs/dbraw/zinc/82/98/18/203829818.db2.gz FEEABOKXXBRTBK-UHFFFAOYSA-N 0 0 396.410 3.471 10 30 GGEERN COc1cccc(/C=N/NC(=S)Nc2cc(OC)c(Cl)cc2OC)c1O ZINC000001048189 203877160 /nfs/dbraw/zinc/87/71/60/203877160.db2.gz HXZHWPXUKRXWHU-DJKKODMXSA-N 0 0 395.868 3.392 10 30 GGEERN NS(=O)(=O)c1ccc(-c2ccc(/C=C3\COc4ccccc4C3=O)o2)cc1 ZINC000003367691 204001908 /nfs/dbraw/zinc/00/19/08/204001908.db2.gz HTBSMXMVWRCHRG-SDNWHVSQSA-N 0 0 381.409 3.253 10 30 GGEERN CCn1nc(C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2c1=O ZINC000003358964 204002027 /nfs/dbraw/zinc/00/20/27/204002027.db2.gz OIBPXCHGMZHWTC-UHFFFAOYSA-N 0 0 378.457 3.481 10 30 GGEERN N#Cc1ccccc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccco1 ZINC000003371874 204002484 /nfs/dbraw/zinc/00/24/84/204002484.db2.gz AEKMWULVYNVDQW-UHFFFAOYSA-N 0 0 389.367 3.199 10 30 GGEERN N#Cc1ccc(COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 ZINC000003373127 204003350 /nfs/dbraw/zinc/00/33/50/204003350.db2.gz JAROQYZMPYLASE-UHFFFAOYSA-N 0 0 386.363 3.304 10 30 GGEERN COc1cccc(/C=N/N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1O ZINC000003455429 204008120 /nfs/dbraw/zinc/00/81/20/204008120.db2.gz YPWJEOSDHMHQSC-UFFVCSGVSA-N 0 0 391.339 3.092 10 30 GGEERN C[C@@]1(c2ccccc2Br)NC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000003517199 204010994 /nfs/dbraw/zinc/01/09/94/204010994.db2.gz ARHZDKXCQADCCF-SFHVURJKSA-N 0 0 384.233 3.288 10 30 GGEERN CN(CC(=O)Nc1ccc(C#N)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000003533774 204011078 /nfs/dbraw/zinc/01/10/78/204011078.db2.gz LEVBCBONGSBXHF-UHFFFAOYSA-N 0 0 398.271 3.124 10 30 GGEERN Cn1c(SCC(=O)Nc2c(C#N)oc3ccccc32)nnc1-c1ccncc1 ZINC000003527840 204011996 /nfs/dbraw/zinc/01/19/96/204011996.db2.gz BNGULSTZACUIRN-UHFFFAOYSA-N 0 0 390.428 3.226 10 30 GGEERN C=CCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2c(C)cccc2CC)c1 ZINC000003031290 204027271 /nfs/dbraw/zinc/02/72/71/204027271.db2.gz PODUJLNPKNXKSC-UHFFFAOYSA-N 0 0 376.453 3.413 10 30 GGEERN Cc1cc(SCC(=O)NC[C@@H]2CCCO2)n2c3ccccc3nc2c1C#N ZINC000004270051 204035997 /nfs/dbraw/zinc/03/59/97/204035997.db2.gz FMKNJKJVFYBAOF-AWEZNQCLSA-N 0 0 380.473 3.055 10 30 GGEERN Cc1cc(SCC(=O)NC[C@H]2CCCO2)n2c3ccccc3nc2c1C#N ZINC000004270057 204036091 /nfs/dbraw/zinc/03/60/91/204036091.db2.gz FMKNJKJVFYBAOF-CQSZACIVSA-N 0 0 380.473 3.055 10 30 GGEERN COc1cccc([C@H]2C3C(=O)CCCC3=Nc3nc(C(F)(F)F)nn32)c1OC ZINC000004716157 204068724 /nfs/dbraw/zinc/06/87/24/204068724.db2.gz DTWIMOIXLSFJOA-AWEZNQCLSA-N 0 0 394.353 3.336 10 30 GGEERN O=C(Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]c1=O)c1ccc(Cl)cc1 ZINC000004821940 204079986 /nfs/dbraw/zinc/07/99/86/204079986.db2.gz GOKCNDNJXFPRGN-GHXNOFRVSA-N 0 0 388.723 3.287 10 30 GGEERN Cc1ccc(-c2nc(CCNC(=O)C(=O)Nc3ccccc3C#N)cs2)cc1 ZINC000004570877 204054275 /nfs/dbraw/zinc/05/42/75/204054275.db2.gz KHRWTBYQWTUNDP-UHFFFAOYSA-N 0 0 390.468 3.288 10 30 GGEERN CN1c2ccc(Br)cc2[C@](O)(CC(=O)C=Cc2ccccc2)C1=O ZINC000035242007 204119180 /nfs/dbraw/zinc/11/91/80/204119180.db2.gz COTKAJPNMKURPV-GXVATQTDSA-N 0 0 386.245 3.286 10 30 GGEERN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(Cl)cc1Cl ZINC000005270113 204123083 /nfs/dbraw/zinc/12/30/83/204123083.db2.gz ASNVGJNKCFMXHS-UHFFFAOYSA-N 0 0 378.259 3.419 10 30 GGEERN N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004963554 204097368 /nfs/dbraw/zinc/09/73/68/204097368.db2.gz YMVYVYNJUDYZOB-UHFFFAOYSA-N 0 0 383.404 3.165 10 30 GGEERN Cc1c(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2ccccn2c1CCC#N ZINC000004980075 204100229 /nfs/dbraw/zinc/10/02/29/204100229.db2.gz VQJZNQAQBQQPRS-UHFFFAOYSA-N 0 0 395.484 3.185 10 30 GGEERN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)Cc3sc(N)nc3O)sc2C1 ZINC000005902569 204157110 /nfs/dbraw/zinc/15/71/10/204157110.db2.gz FNHZLOATHWWYPT-ZANVPECISA-N 0 0 390.534 3.056 10 30 GGEERN COc1ccc2c(CC(=O)O[C@@H](C)C(=O)Nc3cccc(C#N)c3)coc2c1 ZINC000006156484 204167762 /nfs/dbraw/zinc/16/77/62/204167762.db2.gz NIDAKFGMMRCZMQ-ZDUSSCGKSA-N 0 0 378.384 3.426 10 30 GGEERN N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccccc1C(F)(F)F ZINC000005560435 204140761 /nfs/dbraw/zinc/14/07/61/204140761.db2.gz VEZRZJLIINDEDY-UHFFFAOYSA-N 0 0 393.277 3.281 10 30 GGEERN N#Cc1ccccc1NC(=O)COc1ncnc2ccc(Br)cc21 ZINC000006790287 204206254 /nfs/dbraw/zinc/20/62/54/204206254.db2.gz MWEPPDDKRUHDNW-UHFFFAOYSA-N 0 0 383.205 3.281 10 30 GGEERN CCc1cc(=O)n2c3ccccc3n(CC(=O)Nc3ccc(F)cc3)c2c1C#N ZINC000006820871 204212442 /nfs/dbraw/zinc/21/24/42/204212442.db2.gz XBLRSZGJTKZIAW-UHFFFAOYSA-N 0 0 388.402 3.466 10 30 GGEERN NC(=O)[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccc(F)cc2)S1 ZINC000006221493 204171895 /nfs/dbraw/zinc/17/18/95/204171895.db2.gz FZQGLZYNMYNMKV-YUCJCZDXSA-N 0 0 391.855 3.486 10 30 GGEERN N#Cc1c2c(sc1NC(=O)COC(=O)c1n[nH]c3ccccc31)CCCC2 ZINC000006370731 204175624 /nfs/dbraw/zinc/17/56/24/204175624.db2.gz BSDLNRSUYISQCJ-UHFFFAOYSA-N 0 0 380.429 3.170 10 30 GGEERN CC(C)C[C@H](C(=O)OCc1ccc(C#N)cc1)N1C(=O)c2ccccc2C1=O ZINC000006358138 204176418 /nfs/dbraw/zinc/17/64/18/204176418.db2.gz HWLPNUJTYBIPRX-LJQANCHMSA-N 0 0 376.412 3.312 10 30 GGEERN N#Cc1c(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)sc2c1CCC2 ZINC000006383997 204177558 /nfs/dbraw/zinc/17/75/58/204177558.db2.gz GETYUCLFSPETDO-UHFFFAOYSA-N 0 0 379.441 3.314 10 30 GGEERN N#Cc1ccc(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)cc1 ZINC000006876317 204219018 /nfs/dbraw/zinc/21/90/18/204219018.db2.gz TYELWVHFLKPAJV-UHFFFAOYSA-N 0 0 377.356 3.097 10 30 GGEERN Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C#N)c(Cl)c2)n1N ZINC000006557912 204184015 /nfs/dbraw/zinc/18/40/15/204184015.db2.gz HPWJCPBGSVVEJI-UHFFFAOYSA-N 0 0 398.879 3.223 10 30 GGEERN Cc1cc(C)c(C#N)c(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)n1 ZINC000006650415 204187303 /nfs/dbraw/zinc/18/73/03/204187303.db2.gz PTNFHQJEBFZLMW-CQSZACIVSA-N 0 0 380.473 3.426 10 30 GGEERN CCOCCCNC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000006653018 204188805 /nfs/dbraw/zinc/18/88/05/204188805.db2.gz NMDGZUHCQBUQPN-UHFFFAOYSA-N 0 0 382.489 3.303 10 30 GGEERN CCN(CC(=O)Nc1cc(Cl)ccc1C)CC(=O)Nc1ccccc1C#N ZINC000006881902 204220675 /nfs/dbraw/zinc/22/06/75/204220675.db2.gz ZSQHQWYCUPEZNF-UHFFFAOYSA-N 0 0 384.867 3.419 10 30 GGEERN CC1=CC(=O)C2=C(C)C[C@H](OC(=O)Cc3ccccc3)[C@H]3[C@H](OC(=O)[C@H]3C)[C@@H]12 ZINC000006950422 204227631 /nfs/dbraw/zinc/22/76/31/204227631.db2.gz NNLJICJPZZZIFI-ZXXLSYNSSA-N 0 0 380.440 3.184 10 30 GGEERN Cc1nc(S[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)c(C#N)c(C)c1C ZINC000007188632 204234599 /nfs/dbraw/zinc/23/45/99/204234599.db2.gz VJHZSAYYQOBDAD-AWEZNQCLSA-N 0 0 380.473 3.344 10 30 GGEERN CCOC(=O)c1cc(C#N)c(S[C@@H](C)C(=O)N2CCCCCC2)nc1C ZINC000007302099 204238416 /nfs/dbraw/zinc/23/84/16/204238416.db2.gz RZRVNIYCTFRJMO-AWEZNQCLSA-N 0 0 375.494 3.322 10 30 GGEERN CC(C)[C@](C)(C#N)NC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O ZINC000007375609 204239671 /nfs/dbraw/zinc/23/96/71/204239671.db2.gz UYYWWUGSGVYJMC-FQEVSTJZSA-N 0 0 398.463 3.319 10 30 GGEERN C[C@@H](OC(=O)[C@@H]1COc2ccc(Cl)cc2C1)C(=O)Nc1sccc1C#N ZINC000007551808 204242111 /nfs/dbraw/zinc/24/21/11/204242111.db2.gz GZYNENFGZNSDCX-MFKMUULPSA-N 0 0 390.848 3.395 10 30 GGEERN N#Cc1ccccc1COC(=O)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 ZINC000007567314 204244236 /nfs/dbraw/zinc/24/42/36/204244236.db2.gz QFWRUUHUJDWLTE-MRXNPFEDSA-N 0 0 387.482 3.194 10 30 GGEERN N#CCC(=O)Nc1ccccc1C(=O)OCC(=O)Nc1ccc(F)cc1Cl ZINC000007653480 204245114 /nfs/dbraw/zinc/24/51/14/204245114.db2.gz ZTQGAKRQTJMIKP-UHFFFAOYSA-N 0 0 389.770 3.127 10 30 GGEERN COC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000007623233 204245373 /nfs/dbraw/zinc/24/53/73/204245373.db2.gz DVDIFOQCWDWQSP-LLVKDONJSA-N 0 0 388.807 3.413 10 30 GGEERN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)c1cccc(C#N)c1 ZINC000007671247 204246237 /nfs/dbraw/zinc/24/62/37/204246237.db2.gz WXHKYGOULTYEQM-UHFFFAOYSA-N 0 0 377.322 3.168 10 30 GGEERN Cc1nc2ccc(C)cn2c1CN1CCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000007738267 204248805 /nfs/dbraw/zinc/24/88/05/204248805.db2.gz YPUUJDWRTFVXHA-CSKARUKUSA-N 0 0 399.498 3.180 10 30 GGEERN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc(N)n[nH]3)sc2C1 ZINC000008557075 204279755 /nfs/dbraw/zinc/27/97/55/204279755.db2.gz HLAYHTPECNCXFN-VIFPVBQESA-N 0 0 390.538 3.202 10 30 GGEERN Cc1sc2[nH]c(CSCC(=O)Nc3ccccc3C#N)nc(=O)c2c1C ZINC000008694028 204282978 /nfs/dbraw/zinc/28/29/78/204282978.db2.gz DTJUQPZHTMALSZ-UHFFFAOYSA-N 0 0 384.486 3.345 10 30 GGEERN C[C@H](Sc1ncc(C#N)c(N)n1)C(=O)N(c1nccs1)C1CCCCC1 ZINC000008728156 204286022 /nfs/dbraw/zinc/28/60/22/204286022.db2.gz TZJJGQBHKWXXBZ-NSHDSACASA-N 0 0 388.522 3.233 10 30 GGEERN N#Cc1ccccc1CSCCNC(=O)COC(=O)c1c(F)cccc1F ZINC000008724316 204286493 /nfs/dbraw/zinc/28/64/93/204286493.db2.gz JMDRSERKUNWYET-UHFFFAOYSA-N 0 0 390.411 3.043 10 30 GGEERN CCN(CC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)NC1(C#N)CCCC1 ZINC000008935422 204293929 /nfs/dbraw/zinc/29/39/29/204293929.db2.gz ODNDPSYJXHPJQD-UHFFFAOYSA-N 0 0 397.306 3.206 10 30 GGEERN N#Cc1ccccc1CS(=O)(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008945390 204294221 /nfs/dbraw/zinc/29/42/21/204294221.db2.gz BYAHMIAWLGHAPG-LJQANCHMSA-N 0 0 398.484 3.386 10 30 GGEERN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)COc1ccc(C#N)cc1 ZINC000008037120 204259737 /nfs/dbraw/zinc/25/97/37/204259737.db2.gz JOUMSNQTNIXUSO-UHFFFAOYSA-N 0 0 382.445 3.487 10 30 GGEERN N#CC1(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CCCCC1 ZINC000008275283 204269447 /nfs/dbraw/zinc/26/94/47/204269447.db2.gz HCSGXWXRVGNUOL-GOSISDBHSA-N 0 0 383.492 3.327 10 30 GGEERN Cc1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C[C@H]2CCCO2)s1 ZINC000008324329 204271656 /nfs/dbraw/zinc/27/16/56/204271656.db2.gz RWIQZDZUHGIRCF-CYBMUJFWSA-N 0 0 391.522 3.046 10 30 GGEERN Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000008519652 204279169 /nfs/dbraw/zinc/27/91/69/204279169.db2.gz VBCKRQXSYCHCEJ-UHFFFAOYSA-N 0 0 380.473 3.182 10 30 GGEERN N#Cc1ccsc1NC(=O)CNc1ccccc1C(=O)NCc1ccco1 ZINC000009469334 204312529 /nfs/dbraw/zinc/31/25/29/204312529.db2.gz 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ZINC000013022025 204479375 /nfs/dbraw/zinc/47/93/75/204479375.db2.gz NNPVICJOICIVRM-UHFFFAOYSA-N 0 0 376.441 3.326 10 30 GGEERN COc1cc(/C=C2\S/C(=N\c3ccc(O)cc3)N(C)C2=O)cc(OC)c1O ZINC000016936971 204604265 /nfs/dbraw/zinc/60/42/65/204604265.db2.gz CJHOGOIXZMVMDF-SMFDUERQSA-N 0 0 386.429 3.349 10 30 GGEERN N#Cc1ccc(N2CCC(C(=O)Nc3nnc(-c4ccccc4)s3)CC2)nc1 ZINC000024148043 204819167 /nfs/dbraw/zinc/81/91/67/204819167.db2.gz WAYHUCDYDZRAQT-UHFFFAOYSA-N 0 0 390.472 3.327 10 30 GGEERN N#Cc1ccccc1CN1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000024510264 204821192 /nfs/dbraw/zinc/82/11/92/204821192.db2.gz GHSMWZHFGHRISJ-UHFFFAOYSA-N 0 0 381.501 3.296 10 30 GGEERN CC(C)C(=O)N1CCS[C@@]12c1ccccc1N(Cc1cccc(C#N)c1)C2=O ZINC000036166928 205008469 /nfs/dbraw/zinc/00/84/69/205008469.db2.gz QCWULUBHHOVOOW-JOCHJYFZSA-N 0 0 391.496 3.489 10 30 GGEERN CCC(=O)N1CCS[C@]12c1cc(F)ccc1N(Cc1cccc(C#N)c1)C2=O ZINC000036167337 205008519 /nfs/dbraw/zinc/00/85/19/205008519.db2.gz UPFOEEZKBARILX-NRFANRHFSA-N 0 0 395.459 3.382 10 30 GGEERN Cc1[nH]c2c(C#N)cnn2c(=O)c1CC(=O)Oc1cccc(Cl)c1Cl ZINC000040140246 205057033 /nfs/dbraw/zinc/05/70/33/205057033.db2.gz OKQURRKZBWFFCK-UHFFFAOYSA-N 0 0 377.187 3.070 10 30 GGEERN COC(=O)C1=C(C)NC(=Cc2cc(C)n(-c3cc(C)ccc3OC)c2C)C1=O ZINC000045299838 205093795 /nfs/dbraw/zinc/09/37/95/205093795.db2.gz HHFLOSAQDOAIHB-BOPFTXTBSA-N 0 0 380.444 3.371 10 30 GGEERN COc1ccc(Cl)cc1NC(=O)c1oc2c(c1C)C(=NNC(=N)N)CCC2 ZINC000040824756 205072471 /nfs/dbraw/zinc/07/24/71/205072471.db2.gz FOURSSZXFFDUJO-FOKLQQMPSA-N 0 0 389.843 3.026 10 30 GGEERN Cc1c(C(=O)Nc2cccc3ncccc32)oc2c1/C(=N/NC(N)=S)CCC2 ZINC000040824677 205073095 /nfs/dbraw/zinc/07/30/95/205073095.db2.gz ODDKHAOJRYZKLV-BUVRLJJBSA-N 0 0 393.472 3.262 10 30 GGEERN COc1cccc([C@@H]2[C@@H](Oc3cccc(C#N)c3)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000048290927 205118129 /nfs/dbraw/zinc/11/81/29/205118129.db2.gz FLIKPLKQWZUDRQ-PWRODBHTSA-N 0 0 378.428 3.077 10 30 GGEERN CC(=O)N1CCc2cc(NC(=O)CN(c3cccc(C#N)c3)C(C)C)ccc21 ZINC000058325357 205171606 /nfs/dbraw/zinc/17/16/06/205171606.db2.gz LXGWWLSXXJFFCZ-UHFFFAOYSA-N 0 0 376.460 3.321 10 30 GGEERN N#Cc1cccc(-n2ccc(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)n2)c1 ZINC000065129611 205211386 /nfs/dbraw/zinc/21/13/86/205211386.db2.gz BVTJDHHYNLCBPQ-UHFFFAOYSA-N 0 0 375.775 3.475 10 30 GGEERN CC(C)Cn1cc(CCNS(=O)(=O)c2cccc(C#N)c2)c2cccnc21 ZINC000065163405 205214837 /nfs/dbraw/zinc/21/48/37/205214837.db2.gz WVOAXWMJCJOQGV-UHFFFAOYSA-N 0 0 382.489 3.085 10 30 GGEERN COc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(C#N)cc2)C1 ZINC000065314736 205229656 /nfs/dbraw/zinc/22/96/56/205229656.db2.gz OVBSVOPPNBTTEI-MRXNPFEDSA-N 0 0 387.443 3.365 10 30 GGEERN N#Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nnc(N3CCCC3)o2)cc1 ZINC000065202982 205218824 /nfs/dbraw/zinc/21/88/24/205218824.db2.gz SIOCHEIYXSCOBE-IBGZPJMESA-N 0 0 387.443 3.255 10 30 GGEERN Cc1oc(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)nc1C(=O)N1CCCC1 ZINC000065232217 205220372 /nfs/dbraw/zinc/22/03/72/205220372.db2.gz ABOGLIMSZRBYCC-UHFFFAOYSA-N 0 0 392.459 3.111 10 30 GGEERN N#CC1(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)CCCC1 ZINC000067508649 205249325 /nfs/dbraw/zinc/24/93/25/205249325.db2.gz MZJMJTZYZXDTEZ-UHFFFAOYSA-N 0 0 387.436 3.193 10 30 GGEERN Cc1nnc2n1C[C@H](C(=O)NCc1cccc(-c3ccc(C#N)s3)c1)CC2 ZINC000095432757 205459181 /nfs/dbraw/zinc/45/91/81/205459181.db2.gz BEWIBPMUDSFLFC-MRXNPFEDSA-N 0 0 377.473 3.066 10 30 GGEERN C=CCNc1nc(Nc2ccc(I)cc2)nc(OCC)n1 ZINC000002924924 206031567 /nfs/dbraw/zinc/03/15/67/206031567.db2.gz UNKFHYUTLSYKFN-UHFFFAOYSA-N 0 0 397.220 3.216 10 30 GGEERN Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3C#N)ccc2=O)cc1Cl ZINC000225459541 206048733 /nfs/dbraw/zinc/04/87/33/206048733.db2.gz IBCKVZWPPMFHPW-UHFFFAOYSA-N 0 0 382.782 3.457 10 30 GGEERN C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccc(Cl)cc1 ZINC000007313047 206222988 /nfs/dbraw/zinc/22/29/88/206222988.db2.gz ZPHIWNSJTDHMKG-ZDUSSCGKSA-N 0 0 391.880 3.023 10 30 GGEERN C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccc(Cl)cc1 ZINC000007313048 206223039 /nfs/dbraw/zinc/22/30/39/206223039.db2.gz 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ZINC000012850486 518627570 /nfs/dbraw/zinc/62/75/70/518627570.db2.gz NZFAJSZQLISQKR-UHFFFAOYSA-N 0 0 381.548 3.494 10 30 GGEERN C=CCN(C(=O)c1cccc(F)c1)[C@H](C)C(=O)c1c(C)[nH]c(C(=O)OC)c1C ZINC000036004247 518738388 /nfs/dbraw/zinc/73/83/88/518738388.db2.gz XNMRCGFMIVOSOY-CQSZACIVSA-N 0 0 386.423 3.457 10 30 GGEERN C=CCN(C(=O)c1ccc(OC)cc1)[C@H](C)C(=O)c1c(C)[nH]c(C(=O)OC)c1C ZINC000036004235 518738929 /nfs/dbraw/zinc/73/89/29/518738929.db2.gz NJKFZEXWSZLZJK-OAHLLOKOSA-N 0 0 398.459 3.326 10 30 GGEERN C=CCN(CC(=O)OCC)CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1 ZINC000096299909 518759490 /nfs/dbraw/zinc/75/94/90/518759490.db2.gz YENPEBAIDMCXSV-UHFFFAOYSA-N 0 0 398.503 3.210 10 30 GGEERN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1CC(C)C)C(C)=O ZINC000036030164 518794021 /nfs/dbraw/zinc/79/40/21/518794021.db2.gz UZKOEIKVRUMPDS-UHFFFAOYSA-N 0 0 389.521 3.048 10 30 GGEERN C=CCN(Cc1nc(=O)c2c(-c3ccccc3OC)csc2[nH]1)C[C@@H](C)O ZINC000036207169 518800101 /nfs/dbraw/zinc/80/01/01/518800101.db2.gz XEUJAJPQSBCKBA-CYBMUJFWSA-N 0 0 385.489 3.029 10 30 GGEERN C=CCN(Cc1nc2sc(C(C)C)cc2c(=O)[nH]1)C[C@@H](O)COCC(C)C ZINC000036313207 518801264 /nfs/dbraw/zinc/80/12/64/518801264.db2.gz NYHSRYPEOQNFJV-OAHLLOKOSA-N 0 0 393.553 3.130 10 30 GGEERN C=CCN(Cc1nc(=O)c2c(-c3ccccc3OC)csc2[nH]1)C[C@H](C)O ZINC000036207168 518801536 /nfs/dbraw/zinc/80/15/36/518801536.db2.gz XEUJAJPQSBCKBA-ZDUSSCGKSA-N 0 0 385.489 3.029 10 30 GGEERN C=CCN1C(=O)N/C(=C\c2cc(C)n(-c3cccc(C(=O)OCC)c3)c2C)C1=O ZINC000033347532 518838855 /nfs/dbraw/zinc/83/88/55/518838855.db2.gz ZEJQQLXFOZOLGU-UYRXBGFRSA-N 0 0 393.443 3.350 10 30 GGEERN C=CCN1C(=O)c2ccc(C(=O)Nc3cc4c(cc3Cl)OCO4)cc2C1=O ZINC000024928948 518849847 /nfs/dbraw/zinc/84/98/47/518849847.db2.gz NCBAEDTYXVWKMG-UHFFFAOYSA-N 0 0 384.775 3.103 10 30 GGEERN C=CCNC(=O)COc1ccc2c(c1)[C@@H](c1cccc(F)c1)N(C(C)=O)CC2 ZINC000037603734 518896831 /nfs/dbraw/zinc/89/68/31/518896831.db2.gz FUVZUWTXHWZACQ-JOCHJYFZSA-N 0 0 382.435 3.001 10 30 GGEERN C=CCNC(=O)[C@@H]1CC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000034917067 518918567 /nfs/dbraw/zinc/91/85/67/518918567.db2.gz XESDEDKJCZSEAT-LLVKDONJSA-N 0 0 394.315 3.375 10 30 GGEERN C=CCNC(=O)[C@H](Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCC=C ZINC000013398602 518926352 /nfs/dbraw/zinc/92/63/52/518926352.db2.gz YMZGWWVCRSQAIR-SZPZYZBQSA-N 0 0 376.500 3.309 10 30 GGEERN C=CCNC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1CC(C)C)CCC3 ZINC000016835353 518926382 /nfs/dbraw/zinc/92/63/82/518926382.db2.gz KQFYPSOSJHGPHP-LBPRGKRZSA-N 0 0 391.562 3.386 10 30 GGEERN C=CCNC(=O)[C@H]1Cc2ccc(OC)cc2N2CCN(c3ccc(C)cc3)C[C@@H]12 ZINC000035872085 518930851 /nfs/dbraw/zinc/93/08/51/518930851.db2.gz GPFMNAYZILKMFP-GMAHTHKFSA-N 0 0 391.515 3.173 10 30 GGEERN C=CCNC(=O)c1ccccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000037525089 518937400 /nfs/dbraw/zinc/93/74/00/518937400.db2.gz JPVMLULPKRRHHM-UHFFFAOYSA-N 0 0 381.451 3.140 10 30 GGEERN C=CCNC(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2C)CC1 ZINC000037524647 518937601 /nfs/dbraw/zinc/93/76/01/518937601.db2.gz AENMOXMYLGMQTR-UHFFFAOYSA-N 0 0 377.488 3.310 10 30 GGEERN C=CCNC(=O)c1cccn(-c2ccc(NC(=O)c3ccccc3C)cc2)c1=O ZINC000013358980 518943845 /nfs/dbraw/zinc/94/38/45/518943845.db2.gz PQQRYWQGAKRHHG-UHFFFAOYSA-N 0 0 387.439 3.314 10 30 GGEERN C=CCNC(=O)c1nnc(N2CCN(c3ccc(F)cc3)CC2)c2ccccc21 ZINC000034839264 518946699 /nfs/dbraw/zinc/94/66/99/518946699.db2.gz MFAFLPFKAFFWPD-UHFFFAOYSA-N 0 0 391.450 3.011 10 30 GGEERN C=CCNC(=O)c1csc(CN2CCN(c3ccccc3Cl)CC2)n1 ZINC000034685298 518947426 /nfs/dbraw/zinc/94/74/26/518947426.db2.gz WTCKVRFRSVMNLZ-UHFFFAOYSA-N 0 0 376.913 3.035 10 30 GGEERN C=CCOC(=O)C1=C(C)Nc2nc(SCCC)[nH]c(=O)c2[C@H]1c1cccnc1 ZINC000021729463 518971718 /nfs/dbraw/zinc/97/17/18/518971718.db2.gz JLXZFBZZQLHNST-HNNXBMFYSA-N 0 0 398.488 3.228 10 30 GGEERN C=CCOc1ccc(/C=C\C(=O)NCC[C@@H](CC)N2CCCC2=O)cc1OC ZINC000096316143 519016585 /nfs/dbraw/zinc/01/65/85/519016585.db2.gz UWMCKQDXOXSAAQ-LECLMCCNSA-N 0 0 386.492 3.181 10 30 GGEERN C=CCOc1ccc(C(=O)N2CCc3c(sc4ncnc(N)c43)C2)cc1OC ZINC000012562617 519027243 /nfs/dbraw/zinc/02/72/43/519027243.db2.gz PBYLSUOAHQHBCZ-UHFFFAOYSA-N 0 0 396.472 3.045 10 30 GGEERN C=CCOc1ccc(CN(C)C(=O)Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000006787845 519029928 /nfs/dbraw/zinc/02/99/28/519029928.db2.gz QXEIUSOFTOAVIP-UHFFFAOYSA-N 0 0 385.460 3.478 10 30 GGEERN C=CCOc1ccccc1C(=O)N1CCN(C(=O)/C=C\c2cccs2)CC1 ZINC000096130028 519065745 /nfs/dbraw/zinc/06/57/45/519065745.db2.gz RINAMRGDUXQNPK-KTKRTIGZSA-N 0 0 382.485 3.311 10 30 GGEERN C=CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(=O)nc(SCC=C)n2C ZINC000046017858 519072899 /nfs/dbraw/zinc/07/28/99/519072899.db2.gz RIBMEBRJBWDPIX-AWEZNQCLSA-N 0 0 383.473 3.097 10 30 GGEERN C=CCn1c(=O)c2c(ncn2Cc2ccccc2C)n(-c2ccc(F)cc2)c1=O ZINC000037558023 519158310 /nfs/dbraw/zinc/15/83/10/519158310.db2.gz MEDXMERNLHMUOX-UHFFFAOYSA-N 0 0 390.418 3.031 10 30 GGEERN C=CCn1c(=O)c2c(ncn2Cc2ccccc2)n(-c2cccc(Cl)c2)c1=O ZINC000037279516 519158385 /nfs/dbraw/zinc/15/83/85/519158385.db2.gz AQXJMYSKEWGHEY-UHFFFAOYSA-N 0 0 392.846 3.237 10 30 GGEERN C=CCn1c(C(=O)NC2CCCCC2)cc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000035561494 519166162 /nfs/dbraw/zinc/16/61/62/519166162.db2.gz JKEUBOPLJKEBFU-UHFFFAOYSA-N 0 0 389.521 3.140 10 30 GGEERN C=CCn1c(COc2ccccc2-c2ccccc2)nnc1SCC(N)=O ZINC000002619536 519188323 /nfs/dbraw/zinc/18/83/23/519188323.db2.gz BWYTTYMHKIJMIR-UHFFFAOYSA-N 0 0 380.473 3.288 10 30 GGEERN C=CCn1c(SCn2nnc3ccccc3c2=O)nnc1-c1ccc(F)cc1 ZINC000003454975 519247849 /nfs/dbraw/zinc/24/78/49/519247849.db2.gz NOHSHHGPTIQHCU-UHFFFAOYSA-N 0 0 394.435 3.125 10 30 GGEERN C=CCn1c2ccc(NS(=O)(=O)c3ccc(C)c(F)c3)cc2sc1=O ZINC000046017771 519262760 /nfs/dbraw/zinc/26/27/60/519262760.db2.gz WXFHCZQGXFLIDD-UHFFFAOYSA-N 0 0 378.450 3.497 10 30 GGEERN C=CCn1c2ccc(NS(=O)(=O)c3cc(F)ccc3C)cc2sc1=O ZINC000046017774 519262826 /nfs/dbraw/zinc/26/28/26/519262826.db2.gz BZLZGIKHQVECOF-UHFFFAOYSA-N 0 0 378.450 3.497 10 30 GGEERN C=CCn1c2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2sc1=O ZINC000046141156 519262991 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C=CCn1cnc2c1c(=O)n(C1CCCCC1)c(=O)n2-c1ccc(F)c(F)c1 ZINC000034693168 519285183 /nfs/dbraw/zinc/28/51/83/519285183.db2.gz COUGWRMFZMKLEV-UHFFFAOYSA-N 0 0 386.402 3.318 10 30 GGEERN CC(C)CNC(=O)c1ccc(NCC(=O)NC2(C#N)CCCC2)cc1Cl ZINC000055886074 519741762 /nfs/dbraw/zinc/74/17/62/519741762.db2.gz QYBPSLFRDWLUFY-UHFFFAOYSA-N 0 0 376.888 3.090 10 30 GGEERN CCOCCOC(=NC(=O)c1ccc(C(F)(F)F)cc1)NC[C@H]1CCCO1 ZINC000004606887 519971549 /nfs/dbraw/zinc/97/15/49/519971549.db2.gz GPOXYXUHVALTOO-OAHLLOKOSA-N 0 0 388.386 3.023 10 30 GGEERN CCCCCCCCC(=O)Nc1cc2nc3[nH]c(=O)[nH]c(=O)c3nc2cc1C ZINC000101321510 519973035 /nfs/dbraw/zinc/97/30/35/519973035.db2.gz AOTNWWCLADFYHI-UHFFFAOYSA-N 0 0 383.452 3.157 10 30 GGEERN CCCCCCCCOc1ccc(/C=c2/sc3ncnn3c2=O)cc1OC ZINC000102680765 520043333 /nfs/dbraw/zinc/04/33/33/520043333.db2.gz YGJHKFSHYOLZEQ-QGOAFFKASA-N 0 0 387.505 3.447 10 30 GGEERN CCCCCCCOC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccc(OC)cc1 ZINC000101285063 520060331 /nfs/dbraw/zinc/06/03/31/520060331.db2.gz 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/nfs/dbraw/zinc/94/24/96/525942496.db2.gz FZDBSRQOQIBOAN-GOBJLOIFSA-N 0 0 385.423 3.407 10 30 GGEERN Cc1ccc(C=NNc2nnc(SCC(=O)Nc3c(F)cccc3F)[nH]2)o1 ZINC000020407289 525964067 /nfs/dbraw/zinc/96/40/67/525964067.db2.gz MHADNOCOPAAQLI-FBCYGCLPSA-N 0 0 392.391 3.161 10 30 GGEERN Cc1ccc(C(=O)N=C(Nc2ccc(C)c(Cl)c2)N2CCN(C=O)CC2)cc1 ZINC000040451008 526014935 /nfs/dbraw/zinc/01/49/35/526014935.db2.gz OLMDYTHDNFAGIG-UHFFFAOYSA-N 0 0 398.894 3.339 10 30 GGEERN COc1cccc(C[C@@H](C#N)c2c(C#N)c(N)nc(N3CCCCC3)c2C#N)c1 ZINC000025286897 526070319 /nfs/dbraw/zinc/07/03/19/526070319.db2.gz FTKRFSPXIYKMMO-INIZCTEOSA-N 0 0 386.459 3.256 10 30 GGEERN Cc1ccc2nc(SCC(=O)NC3(C#N)CCCCCC3)n(C)c(=O)c2c1 ZINC000058246008 526254996 /nfs/dbraw/zinc/25/49/96/526254996.db2.gz KCYKZBMDXFPMRT-UHFFFAOYSA-N 0 0 384.505 3.067 10 30 GGEERN Cc1csc(=O)n1CC(=O)N1/C(=N/Cc2ccccc2)SCC1(C)C ZINC000022559458 526306198 /nfs/dbraw/zinc/30/61/98/526306198.db2.gz KSCMHLPGMMHSJS-MNDPQUGUSA-N 0 0 375.519 3.128 10 30 GGEERN C=CCN1C(=O)N(c2cccc(F)c2)C(=O)[C@@H]1CC(=O)Nc1cccc(F)c1 ZINC000020160858 526404658 /nfs/dbraw/zinc/40/46/58/526404658.db2.gz WIDLVJRVJJVCMP-KRWDZBQOSA-N 0 0 385.370 3.317 10 30 GGEERN C=CCN1C(=O)[C@]2(c3ccccc3-c3oc(N)nc32)C2=C1CC(C)(C)CC2=O ZINC000020568321 526408393 /nfs/dbraw/zinc/40/83/93/526408393.db2.gz FODSAHSOUBGYOX-JOCHJYFZSA-N 0 0 375.428 3.195 10 30 GGEERN N#CCCN(Cc1ccco1)C(=O)COC(=O)c1ccccc1Br ZINC000014159775 526458191 /nfs/dbraw/zinc/45/81/91/526458191.db2.gz LTMYREFKTPQWGS-UHFFFAOYSA-N 0 0 391.221 3.141 10 30 GGEERN N#CCCn1cc(/C=C\C(=O)Oc2cccc(-n3cnnn3)c2)c2ccccc21 ZINC000033481302 526466225 /nfs/dbraw/zinc/46/62/25/526466225.db2.gz JNFLNQRPFPCTIQ-KTKRTIGZSA-N 0 0 384.399 3.149 10 30 GGEERN Cc1noc(C(F)(F)F)c1C(=O)ONC(=N)c1cccc(C(F)(F)F)c1 ZINC000004390032 526466216 /nfs/dbraw/zinc/46/62/16/526466216.db2.gz GKARVYBXQYTSFX-UHFFFAOYSA-N 0 0 381.232 3.498 10 30 GGEERN N=C(NN=Cc1cccc(OCc2cccc3ccccc32)c1)c1nonc1N ZINC000017078806 526806196 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C#Cc1cccc(NC(=O)CNC(=O)N[C@@H]2C[C@@H](OCC)C23CCCCC3)c1 ZINC000097012489 527451739 /nfs/dbraw/zinc/45/17/39/527451739.db2.gz AUTMZSWBNQIYOM-RTBURBONSA-N 0 0 383.492 3.034 10 30 GGEERN C#Cc1cccc(NC(=O)CNC(=O)N[C@@H]2C[C@H](OCC)C23CCCCC3)c1 ZINC000097012492 527451972 /nfs/dbraw/zinc/45/19/72/527451972.db2.gz AUTMZSWBNQIYOM-MOPGFXCFSA-N 0 0 383.492 3.034 10 30 GGEERN Cn1cnnc1Sc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000007141241 527529544 /nfs/dbraw/zinc/52/95/44/527529544.db2.gz PVHHKNYFQPGGSN-KRXBUXKQSA-N 0 0 382.401 3.476 10 30 GGEERN O=C(/C=C/N1CCC[C@H]1C(=O)OCc1nc2ccccc2s1)C(F)(F)F ZINC000003305011 527596789 /nfs/dbraw/zinc/59/67/89/527596789.db2.gz FACZTEGAGQEXCN-CRALRDPISA-N 0 0 384.379 3.449 10 30 GGEERN O=C(/C=C\c1cn(C[C@H](O)CN2CCOCC2)c2ccccc12)c1cccs1 ZINC000033531630 527659901 /nfs/dbraw/zinc/65/99/01/527659901.db2.gz KNSVPMPQEKEHRK-JTHGQSKGSA-N 0 0 396.512 3.292 10 30 GGEERN CCOC(=O)[C@@H](CNC(=O)c1snnc1C)C1C2CC3CC(C2)CC1C3 ZINC000328594020 527742310 /nfs/dbraw/zinc/74/23/10/527742310.db2.gz JKJKFFIRXZVKAA-CGAUPDFVSA-N 0 0 377.510 3.403 10 30 GGEERN N#C/C(=N\OC(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001037458 564182301 /nfs/dbraw/zinc/18/23/01/564182301.db2.gz SUXMEZFPHHJYPT-XMHGGMMESA-N 0 0 383.212 3.461 10 30 GGEERN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(C#N)nc1 ZINC000115012465 564185186 /nfs/dbraw/zinc/18/51/86/564185186.db2.gz CFXNNPUNNPQWQQ-UHFFFAOYSA-N 0 0 377.231 3.361 10 30 GGEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000115268530 564188705 /nfs/dbraw/zinc/18/87/05/564188705.db2.gz XRSUWSIWYFRBKI-UOXLDJKESA-N 0 0 376.865 3.496 10 30 GGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000115268536 564188925 /nfs/dbraw/zinc/18/89/25/564188925.db2.gz XRSUWSIWYFRBKI-YDBLSZJJSA-N 0 0 376.865 3.496 10 30 GGEERN N#C[C@@H](NC(=O)c1cccc(-n2cncn2)c1)c1cccc(Br)c1 ZINC000115353761 564191541 /nfs/dbraw/zinc/19/15/41/564191541.db2.gz KAWCVCBGXMCQLJ-MRXNPFEDSA-N 0 0 382.221 3.024 10 30 GGEERN N#C[C@H](NC(=O)c1cccc(-n2cncn2)c1)c1cccc(Br)c1 ZINC000115353763 564191666 /nfs/dbraw/zinc/19/16/66/564191666.db2.gz KAWCVCBGXMCQLJ-INIZCTEOSA-N 0 0 382.221 3.024 10 30 GGEERN Cc1c2cc(Br)ccc2oc1C(=O)OCC(=O)N(C)CCC#N ZINC000003285236 564195487 /nfs/dbraw/zinc/19/54/87/564195487.db2.gz NNHPOVYKKYXPDG-UHFFFAOYSA-N 0 0 379.210 3.033 10 30 GGEERN C=CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1cccs1 ZINC000003626854 564199891 /nfs/dbraw/zinc/19/98/91/564199891.db2.gz OBOMUWBWFXSPQO-UHFFFAOYSA-N 0 0 378.508 3.083 10 30 GGEERN COc1ccccc1C(C)(C)CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000116091977 564203274 /nfs/dbraw/zinc/20/32/74/564203274.db2.gz WHVCCSWELNFYLH-UHFFFAOYSA-N 0 0 378.881 3.476 10 30 GGEERN O=C(c1ccc(Br)cc1)C1=CON=C(c2ccc([N+](=O)[O-])cc2)N1 ZINC000005715019 564218941 /nfs/dbraw/zinc/21/89/41/564218941.db2.gz JNUNUOCNHNVVSX-UHFFFAOYSA-N 0 0 388.177 3.363 10 30 GGEERN C=CCN(CC(=O)N[C@H](C)CC)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000006786508 564227433 /nfs/dbraw/zinc/22/74/33/564227433.db2.gz QWCDVPZKLLIIPX-LLVKDONJSA-N 0 0 379.309 3.085 10 30 GGEERN C=CCN(CC(=O)Nc1ccc(C(=O)NC)cc1)Cc1ccc(Cl)s1 ZINC000007592124 564237871 /nfs/dbraw/zinc/23/78/71/564237871.db2.gz CMJIFMZGBHORDB-UHFFFAOYSA-N 0 0 377.897 3.388 10 30 GGEERN C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(Cl)cc2Cl)c1 ZINC000008085568 564245002 /nfs/dbraw/zinc/24/50/02/564245002.db2.gz PCXJYJIHWOFGMF-UHFFFAOYSA-N 0 0 399.299 3.388 10 30 GGEERN C=CCn1c(SCC(=O)N(C)Cc2ccsc2)nc2ccsc2c1=O ZINC000009726383 564254096 /nfs/dbraw/zinc/25/40/96/564254096.db2.gz LNMBJERSGCFMMK-UHFFFAOYSA-N 0 0 391.543 3.456 10 30 GGEERN C=CCNC(=O)C[C@H](NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000012765444 564270463 /nfs/dbraw/zinc/27/04/63/564270463.db2.gz TTXPBWNTZFMJAK-KRWDZBQOSA-N 0 0 378.881 3.052 10 30 GGEERN N#C[C@@H](NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2)C1CC1 ZINC000119720618 564285013 /nfs/dbraw/zinc/28/50/13/564285013.db2.gz KSUINPIRJMBIIA-OAHLLOKOSA-N 0 0 385.265 3.155 10 30 GGEERN C=CCCS(=O)(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000119805759 564289161 /nfs/dbraw/zinc/28/91/61/564289161.db2.gz XNYIFJKQGUEXKZ-UHFFFAOYSA-N 0 0 376.444 3.165 10 30 GGEERN C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)c1 ZINC000017959743 564300367 /nfs/dbraw/zinc/30/03/67/564300367.db2.gz NYVCOMFSOZUQPR-CYBMUJFWSA-N 0 0 378.881 3.295 10 30 GGEERN CC(C)NC=C1C(=O)c2sccc2N(Cc2cccc(F)c2)S1(=O)=O ZINC000020575899 564306330 /nfs/dbraw/zinc/30/63/30/564306330.db2.gz GZICXBOGCWSWPM-DHDCSXOGSA-N 0 0 380.466 3.259 10 30 GGEERN Cc1ccc(CN2c3ccsc3C(=O)C(=CNC(C)C)S2(=O)=O)cc1 ZINC000020575709 564307069 /nfs/dbraw/zinc/30/70/69/564307069.db2.gz LZARBECTOCUMRK-YBEGLDIGSA-N 0 0 376.503 3.429 10 30 GGEERN C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2cccc(Cl)c2)c1 ZINC000021911533 564312829 /nfs/dbraw/zinc/31/28/29/564312829.db2.gz OEBQHXCKZFHEOA-CYBMUJFWSA-N 0 0 378.881 3.295 10 30 GGEERN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2scnc2C2CC2)cc1 ZINC000120618881 564329535 /nfs/dbraw/zinc/32/95/35/564329535.db2.gz QYUDUARCCOVINI-UHFFFAOYSA-N 0 0 377.491 3.079 10 30 GGEERN CCOC(=O)Cc1csc(NC(=O)CN2CCC[C@H](C(F)(F)F)C2)n1 ZINC000026901131 564351974 /nfs/dbraw/zinc/35/19/74/564351974.db2.gz YWDCODPJNYBKRC-JTQLQIEISA-N 0 0 379.404 3.111 10 30 GGEERN N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000122287391 564408029 /nfs/dbraw/zinc/40/80/29/564408029.db2.gz GYMXFTLKRPJYMR-UHFFFAOYSA-N 0 0 386.253 3.070 10 30 GGEERN C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(Cl)s2)cc1 ZINC000033192288 564412027 /nfs/dbraw/zinc/41/20/27/564412027.db2.gz QDZIMWCWPOCBKO-NSHDSACASA-N 0 0 384.910 3.357 10 30 GGEERN C=CCCCN(C)S(=O)(=O)c1ccc(C(=O)OCC)cc1Br ZINC000122464768 564415540 /nfs/dbraw/zinc/41/55/40/564415540.db2.gz ADOLILFRAVUTMU-UHFFFAOYSA-N 0 0 390.299 3.213 10 30 GGEERN CCc1cnc(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)s1 ZINC000122960929 564433230 /nfs/dbraw/zinc/43/32/30/564433230.db2.gz FMHWAQRUFCQCRT-UHFFFAOYSA-N 0 0 389.424 3.117 10 30 GGEERN CC(C)c1nc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2C#N)no1 ZINC000122978723 564434009 /nfs/dbraw/zinc/43/40/09/564434009.db2.gz MCHYQCMXNPUZOG-CYBMUJFWSA-N 0 0 380.857 3.244 10 30 GGEERN C[C@@H](NC(=O)c1ccc(C#N)nc1)c1nc(-c2ccc(Br)cc2)no1 ZINC000124275230 564477232 /nfs/dbraw/zinc/47/72/32/564477232.db2.gz KYJXNGJXNBWLPG-SNVBAGLBSA-N 0 0 398.220 3.257 10 30 GGEERN N#Cc1cnc(NCCSCCOc2cccc(Br)c2)cn1 ZINC000124411310 564481331 /nfs/dbraw/zinc/48/13/31/564481331.db2.gz UCTVGVGMMQJSRV-UHFFFAOYSA-N 0 0 379.283 3.335 10 30 GGEERN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2coc(Br)c2)cc1 ZINC000125692075 564523864 /nfs/dbraw/zinc/52/38/64/564523864.db2.gz ATXMXIFOWZETIT-UHFFFAOYSA-N 0 0 399.266 3.101 10 30 GGEERN N#Cc1cnc(N2CCC[C@H]2c2ccc(I)cc2)cn1 ZINC000125983992 564533057 /nfs/dbraw/zinc/53/30/57/564533057.db2.gz JQQBIKKJMACZJL-AWEZNQCLSA-N 0 0 376.201 3.294 10 30 GGEERN C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000126024103 564534034 /nfs/dbraw/zinc/53/40/34/564534034.db2.gz BGYZWOOJZJTFAW-ZDUSSCGKSA-N 0 0 378.881 3.295 10 30 GGEERN CC1(C)C[C@H]1C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000126245820 564541956 /nfs/dbraw/zinc/54/19/56/564541956.db2.gz VSEIHBVBEDZJDI-HOTGVXAUSA-N 0 0 376.298 3.204 10 30 GGEERN N#CCCN(CCC#N)C(=O)CSCc1ccc(Br)cc1F ZINC000050604313 564558869 /nfs/dbraw/zinc/55/88/69/564558869.db2.gz SZHRWONXXNYBMP-UHFFFAOYSA-N 0 0 384.274 3.477 10 30 GGEERN Cn1cc(C#N)cc1C(=O)Nc1nccn1Cc1ccc(Br)cc1 ZINC000126701371 564558955 /nfs/dbraw/zinc/55/89/55/564558955.db2.gz WGWKZBRFZHNDRJ-UHFFFAOYSA-N 0 0 384.237 3.156 10 30 GGEERN N#Cc1ccccc1OCC(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000053411655 564587482 /nfs/dbraw/zinc/58/74/82/564587482.db2.gz KBOZCPGIJHSMTQ-OAHLLOKOSA-N 0 0 387.233 3.340 10 30 GGEERN N#C[C@@H](NC(=O)c1ccc(-n2cncn2)cc1)c1cccc(Br)c1 ZINC000127781392 564595416 /nfs/dbraw/zinc/59/54/16/564595416.db2.gz QVDOYTAPPZUUIU-MRXNPFEDSA-N 0 0 382.221 3.024 10 30 GGEERN N#C[C@H](NC(=O)c1ccc(-n2cncn2)cc1)c1cccc(Br)c1 ZINC000127781598 564596350 /nfs/dbraw/zinc/59/63/50/564596350.db2.gz QVDOYTAPPZUUIU-INIZCTEOSA-N 0 0 382.221 3.024 10 30 GGEERN CC(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000055651522 564628305 /nfs/dbraw/zinc/62/83/05/564628305.db2.gz SUEICDCDQHHBIF-UHFFFAOYSA-N 0 0 377.853 3.151 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)ccc1Cl ZINC000055946801 564635310 /nfs/dbraw/zinc/63/53/10/564635310.db2.gz CSWOEYCEBGEUGY-UHFFFAOYSA-N 0 0 396.299 3.376 10 30 GGEERN CN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000056048772 564638478 /nfs/dbraw/zinc/63/84/78/564638478.db2.gz KDZQZBKABKUHKT-UHFFFAOYSA-N 0 0 398.271 3.124 10 30 GGEERN C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)s2)c1 ZINC000056044173 564638904 /nfs/dbraw/zinc/63/89/04/564638904.db2.gz HRSTTXZMUJYMKF-NSHDSACASA-N 0 0 384.910 3.357 10 30 GGEERN Cc1cc(N2CCC[C@@H](Nc3cnc(C#N)cn3)C2=O)ccc1Br ZINC000129990544 564666701 /nfs/dbraw/zinc/66/67/01/564666701.db2.gz NXHMNANBTSBWJQ-OAHLLOKOSA-N 0 0 386.253 3.027 10 30 GGEERN C=CCNc1ncc(C(=O)N[C@H](C)c2nc(C)c(C(=O)OCC)s2)s1 ZINC000130094018 564669638 /nfs/dbraw/zinc/66/96/38/564669638.db2.gz RZIBIJVTJFAGES-SNVBAGLBSA-N 0 0 380.495 3.174 10 30 GGEERN COc1ccc(Br)cc1S(=O)(=O)N[C@]1(C#N)CCC[C@H](C)C1 ZINC000130517167 564684877 /nfs/dbraw/zinc/68/48/77/564684877.db2.gz UXIWEKWLUCVVDI-XHDPSFHLSA-N 0 0 387.299 3.208 10 30 GGEERN COc1ccc(Br)cc1S(=O)(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000130517375 564684960 /nfs/dbraw/zinc/68/49/60/564684960.db2.gz UXIWEKWLUCVVDI-ABAIWWIYSA-N 0 0 387.299 3.208 10 30 GGEERN CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cc(S(C)(=O)=O)cs2)cc1 ZINC000130539912 564684998 /nfs/dbraw/zinc/68/49/98/564684998.db2.gz KCNYQRILAHRCPW-HNNXBMFYSA-N 0 0 376.503 3.444 10 30 GGEERN COc1ccc(Br)cc1S(=O)(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000130516931 564685066 /nfs/dbraw/zinc/68/50/66/564685066.db2.gz UXIWEKWLUCVVDI-IAQYHMDHSA-N 0 0 387.299 3.208 10 30 GGEERN C=CCn1c(SCc2nsc(N(C)C)n2)nnc1-c1ccccc1F ZINC000130849609 564694912 /nfs/dbraw/zinc/69/49/12/564694912.db2.gz XEEKLPIHKVYKMT-UHFFFAOYSA-N 0 0 376.486 3.480 10 30 GGEERN C=CCN(C(=O)CSC)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000060641555 564701259 /nfs/dbraw/zinc/70/12/59/564701259.db2.gz FGUTXPITZHROLB-UHFFFAOYSA-N 0 0 382.532 3.096 10 30 GGEERN N#Cc1ccc(S(=O)(=O)Nc2c(Cl)cc(F)cc2Br)cn1 ZINC000131186461 564703448 /nfs/dbraw/zinc/70/34/48/564703448.db2.gz YFWYDIDRDWAXAY-UHFFFAOYSA-N 0 0 390.621 3.309 10 30 GGEERN CSCCNC(=S)C(C(=O)c1ccc(C)s1)[n+]1cc([O-])ccc1C ZINC000131237512 564705632 /nfs/dbraw/zinc/70/56/32/564705632.db2.gz WTLLBUDGZVQSKU-UHFFFAOYSA-O 0 0 381.568 3.249 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCc2cccc(Br)c2)ccc1Cl ZINC000063764335 564722263 /nfs/dbraw/zinc/72/22/63/564722263.db2.gz GCPKCVUKYSVOBE-UHFFFAOYSA-N 0 0 385.670 3.453 10 30 GGEERN Cc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)c(Cl)c1 ZINC000063766138 564722801 /nfs/dbraw/zinc/72/28/01/564722801.db2.gz TZRSRROIWHCXSR-UHFFFAOYSA-N 0 0 398.271 3.091 10 30 GGEERN CC(C)(C)OC(=O)CSCC(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000132408619 564742443 /nfs/dbraw/zinc/74/24/43/564742443.db2.gz FXVCZDLWFRYFHL-CYBMUJFWSA-N 0 0 399.310 3.205 10 30 GGEERN N#CC1(NC(=O)CCCOc2ccc(I)cc2)CCCC1 ZINC000065640320 564746727 /nfs/dbraw/zinc/74/67/27/564746727.db2.gz MHQTXIOQTBUIGB-UHFFFAOYSA-N 0 0 398.244 3.403 10 30 GGEERN N#CCCN(CCC#N)CCCOc1cccc(I)c1 ZINC000132855612 564755060 /nfs/dbraw/zinc/75/50/60/564755060.db2.gz DJWVKMYWFZHSAX-UHFFFAOYSA-N 0 0 383.233 3.189 10 30 GGEERN N#Cc1c[nH]c(C(=O)N2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000133160592 564764711 /nfs/dbraw/zinc/76/47/11/564764711.db2.gz QPKJNHQJARDGCD-UHFFFAOYSA-N 0 0 377.275 3.194 10 30 GGEERN CC(C)(C)NS(=O)(=O)c1cc(NC(=O)c2sccc2C#N)ccc1F ZINC000133220610 564766352 /nfs/dbraw/zinc/76/63/52/564766352.db2.gz WXTUHYJBCQYCOG-UHFFFAOYSA-N 0 0 381.454 3.088 10 30 GGEERN COC(=O)c1cc(I)cc(NC(=O)C2(C#N)CCCC2)c1 ZINC000133873271 564787552 /nfs/dbraw/zinc/78/75/52/564787552.db2.gz RIKQBKZGZQAUHW-UHFFFAOYSA-N 0 0 398.200 3.100 10 30 GGEERN CSc1ccsc1C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000068102946 564808521 /nfs/dbraw/zinc/80/85/21/564808521.db2.gz MCTNHGXXESSZDX-ZDUSSCGKSA-N 0 0 389.527 3.495 10 30 GGEERN N#C[C@@H](NC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1)C1CC1 ZINC000134888534 564818385 /nfs/dbraw/zinc/81/83/85/564818385.db2.gz BRKBYEOSFGRNRT-CYBMUJFWSA-N 0 0 380.191 3.119 10 30 GGEERN C=CCCCN(C)C(=O)CCCS(=O)(=O)c1ccc(Br)cc1 ZINC000135100569 564823758 /nfs/dbraw/zinc/82/37/58/564823758.db2.gz KVNUYKTYFCOBMN-UHFFFAOYSA-N 0 0 388.327 3.428 10 30 GGEERN N#C[C@H](NC(=O)Cn1cc(-c2ccccc2)nn1)c1cccc(Br)c1 ZINC000135517677 564833188 /nfs/dbraw/zinc/83/31/88/564833188.db2.gz FBCGRQLSCNYVBH-INIZCTEOSA-N 0 0 396.248 3.089 10 30 GGEERN CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1nc(C2CC2)no1 ZINC000069128408 564833668 /nfs/dbraw/zinc/83/36/68/564833668.db2.gz XPDQFIONPABFGP-CQSZACIVSA-N 0 0 380.857 3.148 10 30 GGEERN C=CCCCN(C)C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000135655418 564838016 /nfs/dbraw/zinc/83/80/16/564838016.db2.gz AQQJJECQTUYCIZ-UHFFFAOYSA-N 0 0 379.309 3.086 10 30 GGEERN C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccccc1Br ZINC000135675403 564838047 /nfs/dbraw/zinc/83/80/47/564838047.db2.gz IDMMWKAGLBWVPX-JTQLQIEISA-N 0 0 390.212 3.276 10 30 GGEERN C[C@H]([C@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000135744202 564839796 /nfs/dbraw/zinc/83/97/96/564839796.db2.gz UASAVFZMZWZWRH-SJKOYZFVSA-N 0 0 376.865 3.224 10 30 GGEERN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000135757525 564839845 /nfs/dbraw/zinc/83/98/45/564839845.db2.gz HHDVEGOFCUTIFT-YVEFUNNKSA-N 0 0 376.865 3.224 10 30 GGEERN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000135757504 564839988 /nfs/dbraw/zinc/83/99/88/564839988.db2.gz HHDVEGOFCUTIFT-PXAZEXFGSA-N 0 0 376.865 3.224 10 30 GGEERN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000135753426 564840269 /nfs/dbraw/zinc/84/02/69/564840269.db2.gz WCWGWRVZYYTZFK-SGTLLEGYSA-N 0 0 376.865 3.224 10 30 GGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCCN1S(=O)(=O)CCC ZINC000070709067 564850258 /nfs/dbraw/zinc/85/02/58/564850258.db2.gz CKCJSEJLNDMHKI-CQSZACIVSA-N 0 0 390.958 3.120 10 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0 0 398.264 3.137 10 30 GGEERN O=C(Nc1cccc(S(=O)(=O)N=C2CCCN2)c1)C1=C(Cl)CCCC1 ZINC000095947069 564900475 /nfs/dbraw/zinc/90/04/75/564900475.db2.gz SJAXBSWDDWGJLC-UHFFFAOYSA-N 0 0 381.885 3.163 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(F)cc23)cc1Cl ZINC000097588858 564909355 /nfs/dbraw/zinc/90/93/55/564909355.db2.gz LUYFGFMRCJYUKY-UHFFFAOYSA-N 0 0 377.828 3.353 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCC[C@H](Nc3ccccc3)C2)ccc1Cl ZINC000151867318 564939079 /nfs/dbraw/zinc/93/90/79/564939079.db2.gz VPIAMJIMYHOWHM-INIZCTEOSA-N 0 0 375.881 3.477 10 30 GGEERN N#Cc1ccsc1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000103036498 564941214 /nfs/dbraw/zinc/94/12/14/564941214.db2.gz KHXWQIPFDYKVGW-CYBMUJFWSA-N 0 0 376.279 3.391 10 30 GGEERN COCCN(CCC#N)C(=O)CSCc1ccc(Br)cc1F ZINC000103215331 564944857 /nfs/dbraw/zinc/94/48/57/564944857.db2.gz AFTBZYRGQXXBHJ-UHFFFAOYSA-N 0 0 389.290 3.210 10 30 GGEERN CS(=O)(=O)N(Cc1ccc(F)cc1C#N)c1cccc(Br)c1 ZINC000103463543 564949026 /nfs/dbraw/zinc/94/90/26/564949026.db2.gz ANPFWHBYHLBTJO-UHFFFAOYSA-N 0 0 383.242 3.426 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCO[C@H](c3ccccc3Cl)C2)ccc1F ZINC000103496973 564949770 /nfs/dbraw/zinc/94/97/70/564949770.db2.gz GYZUWIAENSXVMG-KRWDZBQOSA-N 0 0 380.828 3.113 10 30 GGEERN C=CCCCN(C)C(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000152341363 564956467 /nfs/dbraw/zinc/95/64/67/564956467.db2.gz INXNPDHDZWNOCV-ZDUSSCGKSA-N 0 0 388.327 3.284 10 30 GGEERN C=CCCCN(C)C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000152747419 564969810 /nfs/dbraw/zinc/96/98/10/564969810.db2.gz RECGBOMTIBVDGE-UHFFFAOYSA-N 0 0 382.302 3.177 10 30 GGEERN COc1ccc(Br)cc1CNC(=O)NCc1ccc(C#N)cc1F ZINC000105644481 564970530 /nfs/dbraw/zinc/97/05/30/564970530.db2.gz AFPZILDJJFFPLL-UHFFFAOYSA-N 0 0 392.228 3.468 10 30 GGEERN N#Cc1ccc(CNS(=O)(=O)c2cc(Br)ccc2F)c(F)c1 ZINC000105621290 564970615 /nfs/dbraw/zinc/97/06/15/564970615.db2.gz NRCUMBAGHSIQMH-UHFFFAOYSA-N 0 0 387.205 3.077 10 30 GGEERN CCOC(=O)C1(N(C)S(=O)(=O)c2ccc(Cl)c(C#N)c2)CCCCC1 ZINC000152804680 564972181 /nfs/dbraw/zinc/97/21/81/564972181.db2.gz ZENZHBVKZJSYSV-UHFFFAOYSA-N 0 0 384.885 3.098 10 30 GGEERN N#Cc1cc(F)ccc1NC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000152913307 564977134 /nfs/dbraw/zinc/97/71/34/564977134.db2.gz PBJSKNBXKHFCGL-HNNXBMFYSA-N 0 0 378.201 3.315 10 30 GGEERN N#Cc1ccc(OCCNC(=O)c2c(F)cc(Br)cc2F)cc1 ZINC000153340860 564991725 /nfs/dbraw/zinc/99/17/25/564991725.db2.gz IKSPKCMNFNHZDT-UHFFFAOYSA-N 0 0 381.176 3.408 10 30 GGEERN C=CCn1c(SCc2nnnn2C(C)C)nc2sc(C)c(C)c2c1=O ZINC000107077758 564994140 /nfs/dbraw/zinc/99/41/40/564994140.db2.gz IAMCIFIVILZEOU-UHFFFAOYSA-N 0 0 376.511 3.121 10 30 GGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)Cc1cc(Br)cn1C ZINC000153620058 565003318 /nfs/dbraw/zinc/00/33/18/565003318.db2.gz WIIBKHUHAPXYLR-GFCCVEGCSA-N 0 0 376.254 3.085 10 30 GGEERN N#C[C@@H](NC(=O)CCCCc1ccc(I)cc1)C1CC1 ZINC000108830632 565017531 /nfs/dbraw/zinc/01/75/31/565017531.db2.gz GNXCMYPULGLOAH-OAHLLOKOSA-N 0 0 382.245 3.422 10 30 GGEERN Cc1cc(COc2ccc(C(=O)N[C@@H](C#N)C3CC3)cc2Br)no1 ZINC000108836530 565018244 /nfs/dbraw/zinc/01/82/44/565018244.db2.gz OMBKIYNXMGODEL-HNNXBMFYSA-N 0 0 390.237 3.357 10 30 GGEERN CCn1c(SCC(=O)N[C@H](C#N)C2CC2)nnc1-c1ccc(Cl)cc1 ZINC000108840681 565018291 /nfs/dbraw/zinc/01/82/91/565018291.db2.gz IFPKMPOEYVFOLG-CQSZACIVSA-N 0 0 375.885 3.129 10 30 GGEERN N#C[C@@H](NC(=O)Cn1c(=O)[nH]c2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000109291171 565023913 /nfs/dbraw/zinc/02/39/13/565023913.db2.gz GYRJSOHVHDCEAE-CQSZACIVSA-N 0 0 375.215 3.017 10 30 GGEERN COc1cc(C#N)cc(Br)c1OC[C@H](O)COc1ccccc1C ZINC000154468594 565040270 /nfs/dbraw/zinc/04/02/70/565040270.db2.gz GBTQIDTYJJYURO-CQSZACIVSA-N 0 0 392.249 3.457 10 30 GGEERN COc1cc(C#N)cc(Br)c1OC[C@@H](O)COc1ccc(F)cc1 ZINC000154470332 565040972 /nfs/dbraw/zinc/04/09/72/565040972.db2.gz GIPXIOQQXARRFF-ZDUSSCGKSA-N 0 0 396.212 3.287 10 30 GGEERN N#CCCN(C(=O)c1coc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000112287293 565061953 /nfs/dbraw/zinc/06/19/53/565061953.db2.gz UJWRQIRHXXEKTO-UHFFFAOYSA-N 0 0 377.194 3.374 10 30 GGEERN CCN([C@H](C)c1cccnc1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155221153 565064761 /nfs/dbraw/zinc/06/47/61/565064761.db2.gz WMPAYHGQMOGWIN-GFCCVEGCSA-N 0 0 394.294 3.488 10 30 GGEERN N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000155222927 565064778 /nfs/dbraw/zinc/06/47/78/565064778.db2.gz RJQIFYBCOGJYOU-AWEZNQCLSA-N 0 0 381.251 3.440 10 30 GGEERN CC[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)c1nccs1 ZINC000155234133 565065002 /nfs/dbraw/zinc/06/50/02/565065002.db2.gz WWBCDOPBRWQJDM-LBPRGKRZSA-N 0 0 386.296 3.207 10 30 GGEERN CCN(CCc1nccs1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000155350545 565066475 /nfs/dbraw/zinc/06/64/75/565066475.db2.gz VXMTXNXRLFCHTM-UHFFFAOYSA-N 0 0 389.424 3.287 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000155380549 565066956 /nfs/dbraw/zinc/06/69/56/565066956.db2.gz BDQBDZMWLINNHE-SMDDNHRTSA-N 0 0 381.270 3.403 10 30 GGEERN CCO[C@H](C)c1noc(COc2c(Br)cc(C#N)cc2OC)n1 ZINC000155385237 565066958 /nfs/dbraw/zinc/06/69/58/565066958.db2.gz DITNFYMHPPVOGL-SECBINFHSA-N 0 0 382.214 3.389 10 30 GGEERN C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000112910697 565066992 /nfs/dbraw/zinc/06/69/92/565066992.db2.gz CXJYQYNYLALRNO-ZBEGNZNMSA-N 0 0 376.243 3.493 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)N(C)Cc1cccs1 ZINC000155377521 565067043 /nfs/dbraw/zinc/06/70/43/565067043.db2.gz MCIAVROAXAARRV-UHFFFAOYSA-N 0 0 395.278 3.428 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000155387724 565067051 /nfs/dbraw/zinc/06/70/51/565067051.db2.gz AXBKPHHAZUEOOD-RYUDHWBXSA-N 0 0 381.270 3.498 10 30 GGEERN N#CC1(NC(=O)c2cc(F)c(F)cc2I)CCCC1 ZINC000155386871 565067069 /nfs/dbraw/zinc/06/70/69/565067069.db2.gz BQQZAELJHVFQHL-UHFFFAOYSA-N 0 0 376.144 3.136 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(C#N)cc1 ZINC000155395652 565067161 /nfs/dbraw/zinc/06/71/61/565067161.db2.gz NAOGJCMXCXARNR-UHFFFAOYSA-N 0 0 386.205 3.219 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000155397730 565067306 /nfs/dbraw/zinc/06/73/06/565067306.db2.gz VOWJGURXJDUIFS-LLVKDONJSA-N 0 0 393.281 3.498 10 30 GGEERN O=C(NCCOCC(F)(F)F)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000155735407 565070973 /nfs/dbraw/zinc/07/09/73/565070973.db2.gz WCXNIGIWFSDSOI-SNVBAGLBSA-N 0 0 380.235 3.446 10 30 GGEERN CN(C[C@H](O)C(F)(F)F)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000155816841 565071890 /nfs/dbraw/zinc/07/18/90/565071890.db2.gz HXNQOZWHDRUYNI-WPRPVWTQSA-N 0 0 380.235 3.133 10 30 GGEERN N#Cc1ccc(C(=O)Nc2cc(I)ccc2Cl)cn1 ZINC000156069483 565074590 /nfs/dbraw/zinc/07/45/90/565074590.db2.gz VIMGJHIIQAMTGY-UHFFFAOYSA-N 0 0 383.576 3.464 10 30 GGEERN COc1ccc(Br)c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 ZINC000183645961 565084457 /nfs/dbraw/zinc/08/44/57/565084457.db2.gz DMYHHZRMKQOUPX-UHFFFAOYSA-N 0 0 398.220 3.162 10 30 GGEERN C[C@@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183637741 565084478 /nfs/dbraw/zinc/08/44/78/565084478.db2.gz AMPKTAIBUSNEHC-DYVFJYSZSA-N 0 0 376.865 3.362 10 30 GGEERN C[C@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183637791 565085197 /nfs/dbraw/zinc/08/51/97/565085197.db2.gz AMPKTAIBUSNEHC-SUMWQHHRSA-N 0 0 376.865 3.362 10 30 GGEERN N#Cc1cccnc1-n1cc(NC(=O)CCc2ccccc2Br)cn1 ZINC000183663491 565086105 /nfs/dbraw/zinc/08/61/05/565086105.db2.gz HCLZEIYRXBJTBA-UHFFFAOYSA-N 0 0 396.248 3.473 10 30 GGEERN Cc1ccc(Br)c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 ZINC000183688845 565087559 /nfs/dbraw/zinc/08/75/59/565087559.db2.gz KZLAAFYCPSEYSB-UHFFFAOYSA-N 0 0 382.221 3.462 10 30 GGEERN C#CCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F ZINC000266665565 565087807 /nfs/dbraw/zinc/08/78/07/565087807.db2.gz PRKXDLWLYUNGSD-UHFFFAOYSA-N 0 0 380.338 3.141 10 30 GGEERN Cc1nc(C(F)(F)F)c(C[S@](=O)CC(=O)Nc2cccc(C#N)c2)s1 ZINC000183692104 565088847 /nfs/dbraw/zinc/08/88/47/565088847.db2.gz XIMGIWNJCNVRQU-VWLOTQADSA-N 0 0 387.408 3.229 10 30 GGEERN N#Cc1cccnc1-n1cc(NC(=O)c2cc(F)cc(Br)c2)cn1 ZINC000183692812 565089018 /nfs/dbraw/zinc/08/90/18/565089018.db2.gz HGGQCXPIQJCISN-UHFFFAOYSA-N 0 0 386.184 3.293 10 30 GGEERN N#Cc1ccc(OC2CCN(C(=O)c3ccc(Br)nc3)CC2)cc1 ZINC000266885755 565094998 /nfs/dbraw/zinc/09/49/98/565094998.db2.gz QHGLOEZCZRKCTI-UHFFFAOYSA-N 0 0 386.249 3.399 10 30 GGEERN C[C@H](c1ccsc1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000183839148 565098543 /nfs/dbraw/zinc/09/85/43/565098543.db2.gz JLRCPKUMHVNLCY-CYBMUJFWSA-N 0 0 395.937 3.341 10 30 GGEERN N#Cc1cc(Cl)ccc1S(=O)(=O)NC1CCN(c2ccccc2)CC1 ZINC000156703731 565102133 /nfs/dbraw/zinc/10/21/33/565102133.db2.gz DKOGKSBLDDKDDE-UHFFFAOYSA-N 0 0 375.881 3.159 10 30 GGEERN C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccnn1C ZINC000156823052 565107996 /nfs/dbraw/zinc/10/79/96/565107996.db2.gz YZKFVOJBGJGESN-UHFFFAOYSA-N 0 0 381.249 3.220 10 30 GGEERN Cc1csc([C@@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)n1 ZINC000157136532 565119721 /nfs/dbraw/zinc/11/97/21/565119721.db2.gz MKTMGHMCOJOUDE-SECBINFHSA-N 0 0 375.397 3.382 10 30 GGEERN CCn1c(SCCOCCC#N)nc2ccc(Br)cc2c1=O ZINC000292530236 565120884 /nfs/dbraw/zinc/12/08/84/565120884.db2.gz ABDDPLQDMDRPSQ-UHFFFAOYSA-N 0 0 382.283 3.201 10 30 GGEERN C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)n1 ZINC000370085707 565126182 /nfs/dbraw/zinc/12/61/82/565126182.db2.gz XKQNSWKYSIECPI-HUUCEWRRSA-N 0 0 377.897 3.010 10 30 GGEERN C[C@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184334544 565129971 /nfs/dbraw/zinc/12/99/71/565129971.db2.gz KQGUZZNXZIBTNB-GUYCJALGSA-N 0 0 376.865 3.362 10 30 GGEERN CCc1csc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3C#N)C2)n1 ZINC000157555707 565136110 /nfs/dbraw/zinc/13/61/10/565136110.db2.gz XSYPOSUWBSPYQN-GFCCVEGCSA-N 0 0 379.482 3.285 10 30 GGEERN N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC(Cc3ccccn3)CC2)c1 ZINC000184511608 565141038 /nfs/dbraw/zinc/14/10/38/565141038.db2.gz RGOHBVWWXJCRMS-UHFFFAOYSA-N 0 0 375.881 3.250 10 30 GGEERN N#Cc1cccnc1-n1cc(NC(=O)NCc2ccccc2Br)cn1 ZINC000184580150 565145740 /nfs/dbraw/zinc/14/57/40/565145740.db2.gz KTHMJUWNABYNRC-UHFFFAOYSA-N 0 0 397.236 3.223 10 30 GGEERN CCN1C(=O)N=NC1C1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000370599883 565152057 /nfs/dbraw/zinc/15/20/57/565152057.db2.gz ZMQRVDUPSPJKEL-UHFFFAOYSA-N 0 0 390.285 3.017 10 30 GGEERN CN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc(C#N)cc1F ZINC000158085045 565155481 /nfs/dbraw/zinc/15/54/81/565155481.db2.gz BLDMQKOVXRNOFM-UHFFFAOYSA-N 0 0 387.205 3.424 10 30 GGEERN C=CCC[C@@H](NS(=O)(=O)c1ccccc1S(C)(=O)=O)c1ccccc1 ZINC000158179778 565159551 /nfs/dbraw/zinc/15/95/51/565159551.db2.gz CXRAEKLMCVZNJL-MRXNPFEDSA-N 0 0 379.503 3.076 10 30 GGEERN N#Cc1cccc(NC(=O)C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)c1 ZINC000371056689 565175409 /nfs/dbraw/zinc/17/54/09/565175409.db2.gz TYNLELSGKGUGQB-CYBMUJFWSA-N 0 0 376.199 3.053 10 30 GGEERN N#Cc1ccc(NC(=O)C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)cc1 ZINC000371051050 565175422 /nfs/dbraw/zinc/17/54/22/565175422.db2.gz ABUCDABBHBGDEP-CYBMUJFWSA-N 0 0 376.199 3.053 10 30 GGEERN C=CCN(CC(F)(F)F)C(=O)CCC(=O)Nc1nnc(CC(C)C)s1 ZINC000269273279 565183231 /nfs/dbraw/zinc/18/32/31/565183231.db2.gz 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/nfs/dbraw/zinc/21/67/66/565216766.db2.gz YHQMHSXBBWUOOW-GFCCVEGCSA-N 0 0 380.275 3.335 10 30 GGEERN C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)c1ccc(C#N)nc1 ZINC000159834128 565220632 /nfs/dbraw/zinc/22/06/32/565220632.db2.gz HPJDGXIKYXTUFZ-PXAZEXFGSA-N 0 0 386.249 3.318 10 30 GGEERN C=CC[C@H](CO)NC(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1 ZINC000185813966 565222529 /nfs/dbraw/zinc/22/25/29/565222529.db2.gz IJNZNSHSQFDQRV-LLVKDONJSA-N 0 0 383.279 3.364 10 30 GGEERN CC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1nccs1 ZINC000159924512 565223360 /nfs/dbraw/zinc/22/33/60/565223360.db2.gz XTOCFOHLKDHKCL-LLVKDONJSA-N 0 0 375.397 3.463 10 30 GGEERN C=CC[C@@H](CO)NC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000185821402 565223730 /nfs/dbraw/zinc/22/37/30/565223730.db2.gz AVMALEZWBYDMAY-ZDUSSCGKSA-N 0 0 380.238 3.288 10 30 GGEERN Cc1cc(Br)c(F)cc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000372161566 565224471 /nfs/dbraw/zinc/22/44/71/565224471.db2.gz YHAJOAYNYVZWRP-GFCCVEGCSA-N 0 0 381.249 3.101 10 30 GGEERN Cc1cccc(-c2noc(Cn3c(C)c(Br)cc(C#N)c3=O)n2)c1 ZINC000185940512 565230135 /nfs/dbraw/zinc/23/01/35/565230135.db2.gz VIGCAYDDGXECRB-UHFFFAOYSA-N 0 0 385.221 3.198 10 30 GGEERN C[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc2c(c1)OCCO2 ZINC000186101398 565239791 /nfs/dbraw/zinc/23/97/91/565239791.db2.gz LUSIIDWGOGDNGM-LLVKDONJSA-N 0 0 378.837 3.022 10 30 GGEERN CC(C)(C)c1nc(CCNS(=O)(=O)Cc2ccc(F)cc2C#N)cs1 ZINC000295142785 565247759 /nfs/dbraw/zinc/24/77/59/565247759.db2.gz LDDMLNBPQWNKRI-UHFFFAOYSA-N 0 0 381.498 3.113 10 30 GGEERN N#Cc1cc(Br)ccc1C(=O)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000295152600 565248444 /nfs/dbraw/zinc/24/84/44/565248444.db2.gz NRGOBFJUEYHYHU-RNCFNFMXSA-N 0 0 391.187 3.096 10 30 GGEERN CC1(C#N)CCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000295171489 565249351 /nfs/dbraw/zinc/24/93/51/565249351.db2.gz OLTARUZCZXMZRW-UHFFFAOYSA-N 0 0 378.237 3.216 10 30 GGEERN N#Cc1ccc(Cl)c(S(=O)(=O)NC2CCN(c3ccccc3)CC2)c1 ZINC000186393514 565259810 /nfs/dbraw/zinc/25/98/10/565259810.db2.gz GBVRFLZAAFVWAZ-UHFFFAOYSA-N 0 0 375.881 3.159 10 30 GGEERN C[C@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@H](c2ccccc2)O1 ZINC000186424927 565260356 /nfs/dbraw/zinc/26/03/56/565260356.db2.gz WXFUIAACLMKSIZ-SUMWQHHRSA-N 0 0 376.865 3.362 10 30 GGEERN N#CCCN(C(=O)CCC(=O)NCc1cnc(Cl)s1)c1ccccc1 ZINC000295348412 565261132 /nfs/dbraw/zinc/26/11/32/565261132.db2.gz NAOODGWXUVUPKA-UHFFFAOYSA-N 0 0 376.869 3.140 10 30 GGEERN N#Cc1ncccc1S(=O)(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000372953821 565261822 /nfs/dbraw/zinc/26/18/22/565261822.db2.gz KVBQBROQGOFCLW-OAHLLOKOSA-N 0 0 392.278 3.242 10 30 GGEERN C=CC[C@H](CO)NC(=O)Nc1cc(I)ccc1Cl ZINC000186553530 565268778 /nfs/dbraw/zinc/26/87/78/565268778.db2.gz KKVATWBHRJNZFH-SECBINFHSA-N 0 0 380.613 3.003 10 30 GGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(Cl)cc1I ZINC000186654407 565274580 /nfs/dbraw/zinc/27/45/80/565274580.db2.gz OZHCSIZFAUMKQS-SECBINFHSA-N 0 0 380.613 3.003 10 30 GGEERN COc1ccc(Br)cc1S(=O)(=O)N[C@H](C#N)C1CCCCC1 ZINC000161166117 565276694 /nfs/dbraw/zinc/27/66/94/565276694.db2.gz ORATVDWOONKRJN-CYBMUJFWSA-N 0 0 387.299 3.208 10 30 GGEERN N#CC[C@@H]1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000295644935 565278295 /nfs/dbraw/zinc/27/82/95/565278295.db2.gz DSNQTMQOWGCHDV-IUCAKERBSA-N 0 0 378.237 3.262 10 30 GGEERN N#Cc1cc(Br)cnc1N1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000295697499 565281572 /nfs/dbraw/zinc/28/15/72/565281572.db2.gz PKDDQZZFWAMMFI-SFHVURJKSA-N 0 0 390.256 3.286 10 30 GGEERN N#Cc1cc(Br)ccc1C(=O)N1CCC2(CCC(O)CC2)CC1 ZINC000295735427 565283494 /nfs/dbraw/zinc/28/34/94/565283494.db2.gz MWMOGLUVFAUSGW-UHFFFAOYSA-N 0 0 377.282 3.478 10 30 GGEERN CC1(C#N)CCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000272404844 565286452 /nfs/dbraw/zinc/28/64/52/565286452.db2.gz BKKYOFOHIBZJPZ-OAHLLOKOSA-N 0 0 391.313 3.363 10 30 GGEERN CC1(C#N)CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000272451638 565288217 /nfs/dbraw/zinc/28/82/17/565288217.db2.gz JULFBVTZQRULGP-UHFFFAOYSA-N 0 0 377.344 3.018 10 30 GGEERN CC1(C#N)CCN(C(=O)c2ccnc(Cl)c2I)CC1 ZINC000272515421 565288948 /nfs/dbraw/zinc/28/89/48/565288948.db2.gz KAYHUBQWVXYIKQ-UHFFFAOYSA-N 0 0 389.624 3.105 10 30 GGEERN N#CC[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000295843373 565289574 /nfs/dbraw/zinc/28/95/74/565289574.db2.gz WPWKBWUILHBJAH-ONGXEEELSA-N 0 0 377.691 3.463 10 30 GGEERN CC1(C#N)CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000272527059 565289930 /nfs/dbraw/zinc/28/99/30/565289930.db2.gz MIRXQLFFVMBQQD-UHFFFAOYSA-N 0 0 375.881 3.437 10 30 GGEERN Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N[C@@H](C#N)C1CC1 ZINC000161679410 565290206 /nfs/dbraw/zinc/29/02/06/565290206.db2.gz UVGHSSJRHVRHSB-INIZCTEOSA-N 0 0 387.281 3.343 10 30 GGEERN COc1ccc(C(=O)N2CCC(C)(C#N)CC2)c(I)c1 ZINC000272581816 565291333 /nfs/dbraw/zinc/29/13/33/565291333.db2.gz YHVYIECTTQXWRW-UHFFFAOYSA-N 0 0 384.217 3.066 10 30 GGEERN CCOC(=O)C1CCC(SCCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000295924579 565293748 /nfs/dbraw/zinc/29/37/48/565293748.db2.gz JUMHWQKWITZRAJ-UHFFFAOYSA-N 0 0 381.519 3.187 10 30 GGEERN C=CCS(=O)(=O)CCNC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F ZINC000272833946 565299580 /nfs/dbraw/zinc/29/95/80/565299580.db2.gz IKXDZURUTHZJME-RAXLEYEMSA-N 0 0 381.803 3.003 10 30 GGEERN C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)c1nc(C(F)(F)F)cs1 ZINC000296151000 565304410 /nfs/dbraw/zinc/30/44/10/565304410.db2.gz KDGVVYVSQRGRRF-MRVPVSSYSA-N 0 0 393.387 3.353 10 30 GGEERN N#Cc1ncccc1S(=O)(=O)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000373794716 565304535 /nfs/dbraw/zinc/30/45/35/565304535.db2.gz IYJXLVUSTKFZFH-LLVKDONJSA-N 0 0 398.307 3.303 10 30 GGEERN COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000373819825 565305726 /nfs/dbraw/zinc/30/57/26/565305726.db2.gz OROKLFKRAIRPQE-OAHLLOKOSA-N 0 0 378.475 3.163 10 30 GGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000162188930 565308610 /nfs/dbraw/zinc/30/86/10/565308610.db2.gz RWHIGQJODAJAMQ-WBMJQRKESA-N 0 0 384.233 3.469 10 30 GGEERN Cc1cc(Br)cc(S(=O)(=O)NCc2ccc(C#N)cc2F)c1 ZINC000187161344 565313469 /nfs/dbraw/zinc/31/34/69/565313469.db2.gz BKKIWOQOVDJPRC-UHFFFAOYSA-N 0 0 383.242 3.247 10 30 GGEERN CC(C)CC(=O)N[C@@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)C(C)C ZINC000162367016 565314656 /nfs/dbraw/zinc/31/46/56/565314656.db2.gz ROXSTRFZKLEMSO-DOTOQJQBSA-N 0 0 394.313 3.317 10 30 GGEERN N#C[C@H](NC(=O)[C@@H]1CCCN1c1nccs1)c1cccc(Br)c1 ZINC000162398442 565315933 /nfs/dbraw/zinc/31/59/33/565315933.db2.gz FEQVNRYUJGBHOO-KBPBESRZSA-N 0 0 391.294 3.255 10 30 GGEERN N#CCC1(CNC(=O)N2CCO[C@H](c3cccc(Br)c3)C2)CC1 ZINC000374012855 565315994 /nfs/dbraw/zinc/31/59/94/565315994.db2.gz GIJWVHDMDNHXDZ-HNNXBMFYSA-N 0 0 378.270 3.226 10 30 GGEERN C[C@@H]1C[C@]2(CCO1)CN(Cc1ccc(C#N)cc1Br)C[C@H](C)O2 ZINC000374028612 565316162 /nfs/dbraw/zinc/31/61/62/565316162.db2.gz RENHPZIWNXFTNU-QWQRMKEZSA-N 0 0 379.298 3.479 10 30 GGEERN N#C[C@@H](NC(=O)[C@@H]1CCCN1c1nccs1)c1cccc(Br)c1 ZINC000162398298 565316704 /nfs/dbraw/zinc/31/67/04/565316704.db2.gz FEQVNRYUJGBHOO-KGLIPLIRSA-N 0 0 391.294 3.255 10 30 GGEERN Cc1ccccc1C(=O)NC1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000296447563 565318486 /nfs/dbraw/zinc/31/84/86/565318486.db2.gz ILYHONVQLZVOMD-UHFFFAOYSA-N 0 0 399.292 3.423 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1N1CCC(n2ccnn2)CC1 ZINC000374122221 565321650 /nfs/dbraw/zinc/32/16/50/565321650.db2.gz UXPGLBWVUICZQJ-UHFFFAOYSA-N 0 0 383.253 3.302 10 30 GGEERN N#Cc1cc(Br)cnc1NC1CCN(C(=O)c2ccccc2)CC1 ZINC000296563174 565323254 /nfs/dbraw/zinc/32/32/54/565323254.db2.gz PRXKOEPWTVAARY-UHFFFAOYSA-N 0 0 385.265 3.432 10 30 GGEERN N#CC1(c2ccccn2)CCN(S(=O)(=O)c2c(F)cccc2Cl)CC1 ZINC000374456553 565340094 /nfs/dbraw/zinc/34/00/94/565340094.db2.gz NFQXTTOHSORGGW-UHFFFAOYSA-N 0 0 379.844 3.120 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CC=C(c3ccc(Cl)nc3)CC2)ccc1F ZINC000374515892 565343911 /nfs/dbraw/zinc/34/39/11/565343911.db2.gz XJTZSWQIQYMVMJ-UHFFFAOYSA-N 0 0 377.828 3.224 10 30 GGEERN N#Cc1cc(S(=O)(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)ccc1Cl ZINC000163361567 565343983 /nfs/dbraw/zinc/34/39/83/565343983.db2.gz IKHHINJBPOTKEL-QAPCUYQASA-N 0 0 376.865 3.410 10 30 GGEERN N#Cc1ccc(CN2CCC(c3nnc4n3CCC4)CC2)c(Br)c1 ZINC000374865028 565358407 /nfs/dbraw/zinc/35/84/07/565358407.db2.gz PHSJZICOAUXFNO-UHFFFAOYSA-N 0 0 386.297 3.238 10 30 GGEERN CSCc1cc(F)ccc1CNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000164379530 565358948 /nfs/dbraw/zinc/35/89/48/565358948.db2.gz MINRGUCTCQXCHY-UHFFFAOYSA-N 0 0 382.457 3.319 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)Nc2cc(Br)cnc2-n2cccn2)C1 ZINC000297243391 565363174 /nfs/dbraw/zinc/36/31/74/565363174.db2.gz RHSSOLNMSFAHAG-AAEUAGOBSA-N 0 0 389.257 3.234 10 30 GGEERN CCOc1cc(C#N)cc(Br)c1OC(=O)C[C@@H]1CCOC[C@H]1OC ZINC000297385489 565370079 /nfs/dbraw/zinc/37/00/79/565370079.db2.gz ABPHIEJGMGDRSK-SWLSCSKDSA-N 0 0 398.253 3.066 10 30 GGEERN O=c1c2cc(I)ccc2ncn1CC#Cc1ccccc1 ZINC000188007983 565370290 /nfs/dbraw/zinc/37/02/90/565370290.db2.gz BRXVKOCGOYAOJD-UHFFFAOYSA-N 0 0 386.192 3.053 10 30 GGEERN N#Cc1ccc(Cn2cnc3c(F)cc(Br)cc3c2=O)cc1F ZINC000188070829 565375526 /nfs/dbraw/zinc/37/55/26/565375526.db2.gz OPNDEGWUVNGUGD-UHFFFAOYSA-N 0 0 376.160 3.357 10 30 GGEERN COCCCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C)(C#N)CC1 ZINC000274742138 565379761 /nfs/dbraw/zinc/37/97/61/565379761.db2.gz JNKJSDRWOKRVSD-UHFFFAOYSA-N 0 0 386.901 3.070 10 30 GGEERN N#Cc1cc(Br)cnc1NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000297633340 565380200 /nfs/dbraw/zinc/38/02/00/565380200.db2.gz XFOCAFDIPKNABL-AWEZNQCLSA-N 0 0 385.265 3.176 10 30 GGEERN C#CCN(CC#C)C(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000188144175 565382581 /nfs/dbraw/zinc/38/25/81/565382581.db2.gz VRHWSBIELIBVAF-UHFFFAOYSA-N 0 0 376.243 3.461 10 30 GGEERN N=C(NOC(=O)CCCSc1nnc(C(F)(F)F)s1)c1cccs1 ZINC000188178950 565385951 /nfs/dbraw/zinc/38/59/51/565385951.db2.gz YXWVICYTEQSJEQ-UHFFFAOYSA-N 0 0 396.441 3.354 10 30 GGEERN N#Cc1ccc(Cn2cc(Br)cc(Br)c2=O)cc1F ZINC000188181201 565386072 /nfs/dbraw/zinc/38/60/72/565386072.db2.gz WNCWIOVAFQFZRQ-UHFFFAOYSA-N 0 0 386.018 3.432 10 30 GGEERN C[C@H](NC(=O)CC(C)(C)C)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000275125928 565394536 /nfs/dbraw/zinc/39/45/36/565394536.db2.gz JUEMUOCANIGHHN-FZMZJTMJSA-N 0 0 380.286 3.071 10 30 GGEERN Cc1cc(Br)ccc1NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000170939662 565399874 /nfs/dbraw/zinc/39/98/74/565399874.db2.gz MZIHLVQKDXLEIG-UHFFFAOYSA-N 0 0 390.212 3.023 10 30 GGEERN N#Cc1cc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)ccc1Cl ZINC000171041397 565404595 /nfs/dbraw/zinc/40/45/95/565404595.db2.gz LDMXOIQKHGPGKZ-ROUUACIJSA-N 0 0 376.865 3.410 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000298538570 565419595 /nfs/dbraw/zinc/41/95/95/565419595.db2.gz WAUSVZMTOOKKCO-JSGCOSHPSA-N 0 0 382.295 3.302 10 30 GGEERN N#Cc1cccc(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)c1 ZINC000171223320 565419766 /nfs/dbraw/zinc/41/97/66/565419766.db2.gz ATPQJIBGLVOMEA-UHFFFAOYSA-N 0 0 382.221 3.036 10 30 GGEERN Cc1cc(Br)ccc1NC(=O)CNC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000298558854 565420145 /nfs/dbraw/zinc/42/01/45/565420145.db2.gz ZYSXDXSNVSNGOR-JSGCOSHPSA-N 0 0 393.285 3.078 10 30 GGEERN CN(C[C@H](O)c1cccc(Br)c1)C(=O)NCC1CCC(C#N)CC1 ZINC000298583983 565421118 /nfs/dbraw/zinc/42/11/18/565421118.db2.gz LRHPOFGYJKANJI-KVULBXGLSA-N 0 0 394.313 3.454 10 30 GGEERN COc1cc(Br)c(CNC(=O)c2sccc2C#N)cc1OC ZINC000171312591 565425420 /nfs/dbraw/zinc/42/54/20/565425420.db2.gz DKQGGOPYSFHNQL-UHFFFAOYSA-N 0 0 381.251 3.329 10 30 GGEERN N#Cc1cc(F)ccc1CN1CCN(c2ccc(Br)cn2)CC1 ZINC000171377484 565428461 /nfs/dbraw/zinc/42/84/61/565428461.db2.gz UTHYLBWRUWOELY-UHFFFAOYSA-N 0 0 375.245 3.177 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)s1 ZINC000376327887 565431175 /nfs/dbraw/zinc/43/11/75/565431175.db2.gz NKGUIRPNXDNPOA-CYBMUJFWSA-N 0 0 378.479 3.186 10 30 GGEERN COC(=O)C[C@H](NC(=O)NCCCCC#N)c1cccc(Br)c1 ZINC000171431600 565431738 /nfs/dbraw/zinc/43/17/38/565431738.db2.gz DKKPBVQLXKLECZ-AWEZNQCLSA-N 0 0 382.258 3.046 10 30 GGEERN COc1ccc(CNC(=O)NCc2ccc(C#N)cc2F)cc1Br ZINC000171485213 565433599 /nfs/dbraw/zinc/43/35/99/565433599.db2.gz RRZPPSIMGZMCED-UHFFFAOYSA-N 0 0 392.228 3.468 10 30 GGEERN N#Cc1ccc(CNC(=O)NCCOc2ccc(Br)cc2)c(F)c1 ZINC000171484927 565434184 /nfs/dbraw/zinc/43/41/84/565434184.db2.gz PZKBMWNGZXHEAI-UHFFFAOYSA-N 0 0 392.228 3.338 10 30 GGEERN CCOC(=O)c1csc(CCNC(=O)Nc2ccc(C#N)cc2Cl)n1 ZINC000276121684 565436157 /nfs/dbraw/zinc/43/61/57/565436157.db2.gz BIMXGZPPDPGSIG-UHFFFAOYSA-N 0 0 378.841 3.209 10 30 GGEERN C=CCOc1c(Br)cc(CN2CCCNC(=O)[C@H]2C)cc1OCC ZINC000189081634 565442814 /nfs/dbraw/zinc/44/28/14/565442814.db2.gz GSSXYDAWNYNFQZ-CYBMUJFWSA-N 0 0 397.313 3.123 10 30 GGEERN C[C@@H]1CN(Cc2ccc(Br)cc2C#N)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000376546758 565442782 /nfs/dbraw/zinc/44/27/82/565442782.db2.gz QOTKHTBQIZQWPP-LBTNJELSSA-N 0 0 379.298 3.479 10 30 GGEERN N#CCCCCNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000171713924 565446649 /nfs/dbraw/zinc/44/66/49/565446649.db2.gz VFXMDURJGTWMKI-UHFFFAOYSA-N 0 0 385.205 3.440 10 30 GGEERN C=CCN(CC(F)(F)F)C(=O)c1csc(CNC(=O)OC(C)(C)C)n1 ZINC000171993636 565461131 /nfs/dbraw/zinc/46/11/31/565461131.db2.gz QCXKIHKKMAJKEI-UHFFFAOYSA-N 0 0 379.404 3.358 10 30 GGEERN COc1cc2c(cc1OC)CN(CCNc1snc(Cl)c1C#N)CC2 ZINC000301072030 565462697 /nfs/dbraw/zinc/46/26/97/565462697.db2.gz CDDWXECAXCFYPT-UHFFFAOYSA-N 0 0 378.885 3.156 10 30 GGEERN N#Cc1cc(F)c(N2CCN(c3ccc(Br)cn3)CC2)c(F)c1 ZINC000301117167 565465110 /nfs/dbraw/zinc/46/51/10/565465110.db2.gz PCIYVHGVNDVUDU-UHFFFAOYSA-N 0 0 379.208 3.321 10 30 GGEERN CC1(C#N)CCN(C(=O)c2nc(Br)ccc2Br)CC1 ZINC000276894543 565465199 /nfs/dbraw/zinc/46/51/99/565465199.db2.gz UVCRSSCSKXASEN-UHFFFAOYSA-N 0 0 387.075 3.372 10 30 GGEERN CC1(C#N)CCN(S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000277094059 565476156 /nfs/dbraw/zinc/47/61/56/565476156.db2.gz SEYULMBTWURJOM-UHFFFAOYSA-N 0 0 377.691 3.417 10 30 GGEERN COC(=O)CN(Cc1cccc(Br)c1)C(=O)c1sccc1C#N ZINC000189607090 565477434 /nfs/dbraw/zinc/47/74/34/565477434.db2.gz VJOMOIFOTPQWES-UHFFFAOYSA-N 0 0 393.262 3.198 10 30 GGEERN C=C(C)CS(=O)(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC000189772845 565487465 /nfs/dbraw/zinc/48/74/65/565487465.db2.gz QCEQWEKNHUWZIL-AWEZNQCLSA-N 0 0 391.274 3.334 10 30 GGEERN C#CCC(CC#C)C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC000277380485 565493528 /nfs/dbraw/zinc/49/35/28/565493528.db2.gz JQMMFEUGEBCRCP-UHFFFAOYSA-N 0 0 388.305 3.276 10 30 GGEERN CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000172894658 565510978 /nfs/dbraw/zinc/51/09/78/565510978.db2.gz GAACTQSLTYJDJC-UHFFFAOYSA-N 0 0 378.837 3.213 10 30 GGEERN COc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)c(C#N)c1)C[C@H](C)O2 ZINC000172906554 565511748 /nfs/dbraw/zinc/51/17/48/565511748.db2.gz ADFRNIRBDOISKG-NSHDSACASA-N 0 0 378.837 3.196 10 30 GGEERN N#Cc1cccnc1N1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302049035 565526969 /nfs/dbraw/zinc/52/69/69/565526969.db2.gz WMTCEPNUOAIJME-UHFFFAOYSA-N 0 0 378.219 3.495 10 30 GGEERN CC(=O)c1ccc(C#N)cc1NCCNC(=O)c1cccc(Br)c1 ZINC000302089694 565529254 /nfs/dbraw/zinc/52/92/54/565529254.db2.gz GHTDEUKKBCGLQR-UHFFFAOYSA-N 0 0 386.249 3.365 10 30 GGEERN COc1cc(S(=O)(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)ccc1F ZINC000190671865 565550758 /nfs/dbraw/zinc/55/07/58/565550758.db2.gz SCUSXNUDDNEZKR-UHFFFAOYSA-N 0 0 395.296 3.340 10 30 GGEERN Cc1cc(C)c(NS(=O)(=O)c2cnc(C)c(C#N)c2)c(Br)c1 ZINC000390485892 565555863 /nfs/dbraw/zinc/55/58/63/565555863.db2.gz GKOIWHDOGKOKEH-UHFFFAOYSA-N 0 0 380.267 3.442 10 30 GGEERN Cc1ncc(S(=O)(=O)Nc2c(F)cc(F)cc2Br)cc1C#N ZINC000390655901 565557130 /nfs/dbraw/zinc/55/71/30/565557130.db2.gz WLCSRDCMAZLNMU-UHFFFAOYSA-N 0 0 388.193 3.103 10 30 GGEERN N#Cc1ccc(OCCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000173536718 565564550 /nfs/dbraw/zinc/56/45/50/565564550.db2.gz JXJQLFMAYPDESF-UHFFFAOYSA-N 0 0 385.272 3.363 10 30 GGEERN COc1cc(C(=O)/C=C/c2c(Br)cnn2C)cc(OC)c1OC ZINC000278558472 565566301 /nfs/dbraw/zinc/56/63/01/565566301.db2.gz PJVAPOLLDDICJA-AATRIKPKSA-N 0 0 381.226 3.105 10 30 GGEERN Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000393075329 565568472 /nfs/dbraw/zinc/56/84/72/565568472.db2.gz HEXPYZBORJYZFO-UHFFFAOYSA-N 0 0 375.881 3.031 10 30 GGEERN CCOC(=O)Nc1ccc(NCc2c(Br)cnn2C)cc1C#N ZINC000278685455 565573014 /nfs/dbraw/zinc/57/30/14/565573014.db2.gz HAKBIISJTVWPMP-UHFFFAOYSA-N 0 0 378.230 3.235 10 30 GGEERN N#CCCN(C(=O)c1nscc1Br)c1ccc2c(c1)OCCO2 ZINC000404862220 565583753 /nfs/dbraw/zinc/58/37/53/565583753.db2.gz YFNAOTQUTDBKQE-UHFFFAOYSA-N 0 0 394.250 3.237 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1Br ZINC000278946042 565586327 /nfs/dbraw/zinc/58/63/27/565586327.db2.gz YVBQBEZRBWTWBF-VIFPVBQESA-N 0 0 397.216 3.284 10 30 GGEERN Cc1noc([C@@H]2CN(c3c(Br)cc(Cl)cc3C#N)CCN2C)n1 ZINC000408031598 565591785 /nfs/dbraw/zinc/59/17/85/565591785.db2.gz OOXDHUNSWFVDML-ZDUSSCGKSA-N 0 0 396.676 3.159 10 30 GGEERN N#Cc1ccc(CN2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)c(Br)c1 ZINC000408041665 565591943 /nfs/dbraw/zinc/59/19/43/565591943.db2.gz DIHUPWZFXZNMBT-KBAYOESNSA-N 0 0 379.298 3.073 10 30 GGEERN C[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)c1ccc(Br)cc1 ZINC000316908952 565592832 /nfs/dbraw/zinc/59/28/32/565592832.db2.gz TYCDMKKRDCRAKS-JTQLQIEISA-N 0 0 383.242 3.499 10 30 GGEERN N#C[C@@H]1CCC[C@H]1NS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000408061277 565592897 /nfs/dbraw/zinc/59/28/97/565592897.db2.gz VTINVBAVYFGMGX-WRWORJQWSA-N 0 0 381.654 3.212 10 30 GGEERN N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000408061269 565593499 /nfs/dbraw/zinc/59/34/99/565593499.db2.gz VTINVBAVYFGMGX-CPCISQLKSA-N 0 0 381.654 3.212 10 30 GGEERN N#Cc1ccc(OCCNC(=O)CCOc2ccccc2Br)cc1 ZINC000173881100 565595760 /nfs/dbraw/zinc/59/57/60/565595760.db2.gz CWUXCVZFVTZNGP-UHFFFAOYSA-N 0 0 389.249 3.285 10 30 GGEERN Cc1ncc(S(=O)(=O)N[C@H](C)c2ccc(Br)cc2)cc1C#N ZINC000319416917 565599746 /nfs/dbraw/zinc/59/97/46/565599746.db2.gz DGQPFEKEHKVHIC-LLVKDONJSA-N 0 0 380.267 3.064 10 30 GGEERN O=C(CCOCC(F)(F)C(F)(F)F)NCCOc1ccc(F)cc1F ZINC000191395185 565601456 /nfs/dbraw/zinc/60/14/56/565601456.db2.gz CUTCSVIUKKZDIL-UHFFFAOYSA-N 0 0 377.256 3.064 10 30 GGEERN Cc1ncc(S(=O)(=O)Nc2cc(F)c(Br)cc2F)cc1C#N ZINC000320340520 565602277 /nfs/dbraw/zinc/60/22/77/565602277.db2.gz JISZTYXYRROXBB-UHFFFAOYSA-N 0 0 388.193 3.103 10 30 GGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ncccc1S(C)(=O)=O ZINC000279241143 565602988 /nfs/dbraw/zinc/60/29/88/565602988.db2.gz SLJFLKSKQBMIBE-UHFFFAOYSA-N 0 0 399.925 3.098 10 30 GGEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000191437811 565604653 /nfs/dbraw/zinc/60/46/53/565604653.db2.gz MSFWENIXNJVGII-NSHDSACASA-N 0 0 378.837 3.021 10 30 GGEERN N#Cc1cccc(S(=O)(=O)CCNCc2cc(F)ccc2Br)c1 ZINC000322092705 565607811 /nfs/dbraw/zinc/60/78/11/565607811.db2.gz QWGGBDGBDDPGRJ-UHFFFAOYSA-N 0 0 397.269 3.023 10 30 GGEERN N#Cc1cccc(C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)c1Br ZINC000408451465 565611043 /nfs/dbraw/zinc/61/10/43/565611043.db2.gz JGTPEWPRLQFWEP-MLGOLLRUSA-N 0 0 381.295 3.105 10 30 GGEERN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@H](c2ccccc2)CO1 ZINC000174095511 565612428 /nfs/dbraw/zinc/61/24/28/565612428.db2.gz JKWAMKZNGZDMDA-UGSOOPFHSA-N 0 0 376.865 3.362 10 30 GGEERN C#CCn1ccc(CN(CC)C(=O)NCc2cc(F)cc(Br)c2)n1 ZINC000279419827 565612658 /nfs/dbraw/zinc/61/26/58/565612658.db2.gz IMFUYUAQOANOCY-UHFFFAOYSA-N 0 0 393.260 3.150 10 30 GGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000191585967 565615860 /nfs/dbraw/zinc/61/58/60/565615860.db2.gz KEOJQKLSWZSZMU-VIFPVBQESA-N 0 0 383.164 3.406 10 30 GGEERN CNC(=O)Cc1nc(CSc2nc(C)cc(C(F)(F)F)c2C#N)cs1 ZINC000174143887 565616577 /nfs/dbraw/zinc/61/65/77/565616577.db2.gz VYCPSNZCLCARLF-UHFFFAOYSA-N 0 0 386.424 3.318 10 30 GGEERN Cc1cnc(CCN(C)S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)s1 ZINC000409476369 565617116 /nfs/dbraw/zinc/61/71/16/565617116.db2.gz GYXSCWPWYSOGLD-UHFFFAOYSA-N 0 0 389.424 3.205 10 30 GGEERN N#Cc1ccc(OCCNC(=O)c2[nH]nc3ccc(Br)cc32)cc1 ZINC000174155370 565618098 /nfs/dbraw/zinc/61/80/98/565618098.db2.gz YTOQYBBHBSHVSL-UHFFFAOYSA-N 0 0 385.221 3.006 10 30 GGEERN N#Cc1ccc(Br)c(CN2CCC(C(=O)N3CCCC3)CC2)c1 ZINC000191771434 565629937 /nfs/dbraw/zinc/62/99/37/565629937.db2.gz ISFAVSJVBJWNDD-UHFFFAOYSA-N 0 0 376.298 3.155 10 30 GGEERN CN(c1cccnn1)C1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000191784414 565631641 /nfs/dbraw/zinc/63/16/41/565631641.db2.gz SMOSQKSYNMDEOB-UHFFFAOYSA-N 0 0 386.297 3.212 10 30 GGEERN CN(Cc1cc(C#N)ccc1Br)[C@@H]1CCCN(c2cccnn2)C1 ZINC000191784330 565631712 /nfs/dbraw/zinc/63/17/12/565631712.db2.gz CIHGCPZPFPTGBF-MRXNPFEDSA-N 0 0 386.297 3.212 10 30 GGEERN N#Cc1ccc(Br)c(CN2CCC[C@H]2C(=O)Nc2nccs2)c1 ZINC000191812169 565634438 /nfs/dbraw/zinc/63/44/38/565634438.db2.gz XOYNXEQDIYZLSD-AWEZNQCLSA-N 0 0 391.294 3.380 10 30 GGEERN N#Cc1ccc(Br)c(CN2CCC[C@@H]2C(=O)Nc2nccs2)c1 ZINC000191812151 565634730 /nfs/dbraw/zinc/63/47/30/565634730.db2.gz XOYNXEQDIYZLSD-CQSZACIVSA-N 0 0 391.294 3.380 10 30 GGEERN NC(=O)CSc1ccccc1NC(=O)NCc1noc(C(F)(F)F)n1 ZINC000328596690 565635560 /nfs/dbraw/zinc/63/55/60/565635560.db2.gz QAMFUQHZRBSANB-UHFFFAOYSA-N 0 0 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ZINC000193578308 565762555 /nfs/dbraw/zinc/76/25/55/565762555.db2.gz XULMKXSGAKCWMH-AWEZNQCLSA-N 0 0 375.226 3.040 10 30 GGEERN N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cc2ccc(Cl)s2)cc1 ZINC000193603695 565764686 /nfs/dbraw/zinc/76/46/86/565764686.db2.gz JEIGCLCXEOUWGC-AWEZNQCLSA-N 0 0 391.905 3.356 10 30 GGEERN COC(=O)[C@](C)(NC(=O)c1ccnc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000193867098 565780155 /nfs/dbraw/zinc/78/01/55/565780155.db2.gz JFDKKRNPFIFMBL-QGZVFWFLSA-N 0 0 378.215 3.078 10 30 GGEERN CNc1cc(I)ccc1C(=O)NCC1CCC(C#N)CC1 ZINC000412325173 565781805 /nfs/dbraw/zinc/78/18/05/565781805.db2.gz WWUDXQVSWPFBIE-UHFFFAOYSA-N 0 0 397.260 3.393 10 30 GGEERN N#CC1CCC(CNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CC1 ZINC000282517352 565784192 /nfs/dbraw/zinc/78/41/92/565784192.db2.gz LNARIIPENOBMCL-UHFFFAOYSA-N 0 0 376.400 3.236 10 30 GGEERN CNc1cc(I)ccc1C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000412385528 565785545 /nfs/dbraw/zinc/78/55/45/565785545.db2.gz REIHMADVJQJHKO-JQWIXIFHSA-N 0 0 383.233 3.145 10 30 GGEERN CC(=O)Nc1cc(F)c(S(=O)(=O)NCC2CCC(C#N)CC2)cc1Cl ZINC000282642636 565789000 /nfs/dbraw/zinc/78/90/00/565789000.db2.gz UFTUXHYUDLMRPA-UHFFFAOYSA-N 0 0 387.864 3.046 10 30 GGEERN N#CC1CCC(CNS(=O)(=O)c2cc(Br)cnc2Cl)CC1 ZINC000282721611 565793710 /nfs/dbraw/zinc/79/37/10/565793710.db2.gz ZHCCJIGNTQTABK-UHFFFAOYSA-N 0 0 392.706 3.106 10 30 GGEERN Cc1cc(NC(=O)c2cc(C#N)cn2C)n(-c2cccc(Br)c2)n1 ZINC000176692510 565795140 /nfs/dbraw/zinc/79/51/40/565795140.db2.gz IKKRJAUIJSPSND-UHFFFAOYSA-N 0 0 384.237 3.406 10 30 GGEERN Cn1cc(C#N)cc1C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000176724970 565798048 /nfs/dbraw/zinc/79/80/48/565798048.db2.gz RYUSOMSTJUSRDE-UHFFFAOYSA-N 0 0 384.237 3.156 10 30 GGEERN CC1(C#N)CCN(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000282820218 565798261 /nfs/dbraw/zinc/79/82/61/565798261.db2.gz ZWQCKUJYLJSQHI-CYBMUJFWSA-N 0 0 382.233 3.357 10 30 GGEERN O=[N+]([O-])c1ccc(S(=O)(=O)NCC#Cc2ccc(C(F)(F)F)cc2)s1 ZINC000176734341 565799444 /nfs/dbraw/zinc/79/94/44/565799444.db2.gz KMSYTQGJTAVFFL-UHFFFAOYSA-N 0 0 390.364 3.005 10 30 GGEERN N#CCCN(Cc1ccco1)C[C@@H](O)COc1cccc(Br)c1 ZINC000194363503 565810283 /nfs/dbraw/zinc/81/02/83/565810283.db2.gz LHRCKXCGTYYBSZ-OAHLLOKOSA-N 0 0 379.254 3.198 10 30 GGEERN N#Cc1ccnc(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)c1 ZINC000283354547 565816485 /nfs/dbraw/zinc/81/64/85/565816485.db2.gz UHHKUXSSFMXPTB-UHFFFAOYSA-N 0 0 386.249 3.399 10 30 GGEERN N#Cc1ccc(C(=O)NC2CCN(Cc3cccc(Br)c3)CC2)cn1 ZINC000412966330 565824336 /nfs/dbraw/zinc/82/43/36/565824336.db2.gz DASUSSQHSAYVCQ-UHFFFAOYSA-N 0 0 399.292 3.110 10 30 GGEERN C=CCn1c(SCc2nnc(C)n2CC)nc2sc(C)c(C)c2c1=O ZINC000194662601 565829320 /nfs/dbraw/zinc/82/93/20/565829320.db2.gz JENGRSANTXAMQS-UHFFFAOYSA-N 0 0 375.523 3.473 10 30 GGEERN CN1CC[C@H](NS(=O)(=O)c2ccc(C#N)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000332996646 565861609 /nfs/dbraw/zinc/86/16/09/565861609.db2.gz ATEYLXHDSXUKND-GOEBONIOSA-N 0 0 399.900 3.136 10 30 GGEERN COC(=O)[C@@H]1CSCCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C1 ZINC000413617259 565862904 /nfs/dbraw/zinc/86/29/04/565862904.db2.gz ZOCICESRNGOBOP-NSHDSACASA-N 0 0 379.844 3.241 10 30 GGEERN Cc1cc(C#N)nc(NC2CCN(Cc3cccc(Br)c3)CC2)n1 ZINC000413623502 565862949 /nfs/dbraw/zinc/86/29/49/565862949.db2.gz ULIMOZZSQHKMLY-UHFFFAOYSA-N 0 0 386.297 3.496 10 30 GGEERN CC[C@@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1nccs1 ZINC000177662152 565865693 /nfs/dbraw/zinc/86/56/93/565865693.db2.gz CXDUGKZLBFYWFW-GFCCVEGCSA-N 0 0 375.397 3.463 10 30 GGEERN CC(C)[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)C(F)(F)F ZINC000413980815 565884870 /nfs/dbraw/zinc/88/48/70/565884870.db2.gz DCFIMQUNRMMCNE-ZDUSSCGKSA-N 0 0 379.176 3.403 10 30 GGEERN CC(C)[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(F)(F)F ZINC000413994853 565885813 /nfs/dbraw/zinc/88/58/13/565885813.db2.gz IKHSZYASXSGBCW-AWEZNQCLSA-N 0 0 376.400 3.081 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCCc2ccc(Br)s2)ccc1F ZINC000221035404 565903702 /nfs/dbraw/zinc/90/37/02/565903702.db2.gz WHTNOPTULABXOY-UHFFFAOYSA-N 0 0 389.271 3.042 10 30 GGEERN O=C(CCCC1CCN(C(=O)Nc2ccc(Br)cc2)CC1)NO ZINC000222147008 565904944 /nfs/dbraw/zinc/90/49/44/565904944.db2.gz OVFFTIPIFHUVSP-UHFFFAOYSA-N 0 0 384.274 3.369 10 30 GGEERN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C)c1ccccc1Br ZINC000178409199 565916787 /nfs/dbraw/zinc/91/67/87/565916787.db2.gz OGZHAPSEBFUNMC-GFCCVEGCSA-N 0 0 386.249 3.445 10 30 GGEERN N#CC1CCC(CN2C(=O)N[C@H](c3ccc(Br)cc3)C2=O)CC1 ZINC000285900365 565932396 /nfs/dbraw/zinc/93/23/96/565932396.db2.gz FMHFTBQVUUZISE-KOHJWAIASA-N 0 0 376.254 3.372 10 30 GGEERN N#Cc1ccc(-c2nc(Cc3nc4ccc(Br)cc4c(=O)[nH]3)no2)o1 ZINC000350522500 565937995 /nfs/dbraw/zinc/93/79/95/565937995.db2.gz BWNKIVNTNWKBED-UHFFFAOYSA-N 0 0 398.176 3.203 10 30 GGEERN C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](CO)[C@@H]1C ZINC000414518396 565944773 /nfs/dbraw/zinc/94/47/73/565944773.db2.gz SAVPQELBXRUSCP-DZGCQCFKSA-N 0 0 391.313 3.491 10 30 GGEERN C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](CO)[C@H]1C ZINC000414518398 565945326 /nfs/dbraw/zinc/94/53/26/565945326.db2.gz SAVPQELBXRUSCP-HIFRSBDPSA-N 0 0 391.313 3.491 10 30 GGEERN N#Cc1ccc(OC2CCN(c3ncncc3Br)CC2)c(F)c1 ZINC000286200586 565947420 /nfs/dbraw/zinc/94/74/20/565947420.db2.gz AYPUEPQTYQKHID-UHFFFAOYSA-N 0 0 377.217 3.298 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1N1CCO[C@]2(CCCOC2)C1 ZINC000286360196 565954916 /nfs/dbraw/zinc/95/49/16/565954916.db2.gz DKPUYVPPRMFSAH-GOSISDBHSA-N 0 0 388.265 3.255 10 30 GGEERN N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000286409561 565958361 /nfs/dbraw/zinc/95/83/61/565958361.db2.gz FWPJQGYSQHBIEW-SECBINFHSA-N 0 0 397.216 3.284 10 30 GGEERN CN(CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc(Br)s1 ZINC000179118176 565958967 /nfs/dbraw/zinc/95/89/67/565958967.db2.gz GZXLKMRCRANGPA-UHFFFAOYSA-N 0 0 399.335 3.288 10 30 GGEERN N#Cc1ccc(CN(C(=O)c2cnn3cc(Br)cnc23)C2CC2)cc1 ZINC000179390346 565977742 /nfs/dbraw/zinc/97/77/42/565977742.db2.gz XEEGQBCRRQKWMV-UHFFFAOYSA-N 0 0 396.248 3.168 10 30 GGEERN CCOc1ccc(C#N)cc1NC(=O)c1cnn2cc(Br)cnc12 ZINC000179468232 565983178 /nfs/dbraw/zinc/98/31/78/565983178.db2.gz NSDCOSNKNBVMAL-UHFFFAOYSA-N 0 0 386.209 3.014 10 30 GGEERN C=CCN(C(=O)Nc1ccc(OC(C)C)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000179517450 565986522 /nfs/dbraw/zinc/98/65/22/565986522.db2.gz RONKHVAFSNYIHN-CQSZACIVSA-N 0 0 386.901 3.334 10 30 GGEERN COc1cc(C#N)ccc1CN1CCN(c2ccc(Br)cn2)CC1 ZINC000179654414 565996747 /nfs/dbraw/zinc/99/67/47/565996747.db2.gz RCJBKRITLUOMNW-UHFFFAOYSA-N 0 0 387.281 3.047 10 30 GGEERN CN1CCO[C@@H]([C@@H](NC(=O)c2sccc2C#N)c2ccc(Cl)cc2)C1 ZINC000245748474 566004393 /nfs/dbraw/zinc/00/43/93/566004393.db2.gz NLHMEFDOJBROED-CVEARBPZSA-N 0 0 375.881 3.075 10 30 GGEERN C#CCC(CC#C)C(=O)NCC1(c2ccc(Br)cc2)CCOCC1 ZINC000287297585 566009952 /nfs/dbraw/zinc/00/99/52/566009952.db2.gz FYOOMKVVFAYWNQ-UHFFFAOYSA-N 0 0 388.305 3.276 10 30 GGEERN CS(=O)(=O)N(Cc1c(F)cccc1Br)c1cccc(C#N)c1 ZINC000179893905 566016255 /nfs/dbraw/zinc/01/62/55/566016255.db2.gz XBCQKSNGZXJVMH-UHFFFAOYSA-N 0 0 383.242 3.426 10 30 GGEERN N#Cc1cccc(CS(=O)(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000246192201 566019550 /nfs/dbraw/zinc/01/95/50/566019550.db2.gz NQBKETLFISJZRQ-DLBZAZTESA-N 0 0 376.503 3.038 10 30 GGEERN N#Cc1ccc(C(=O)N(C[C@H]2CCCO2)c2ccc(Br)cn2)o1 ZINC000416033783 566027745 /nfs/dbraw/zinc/02/77/45/566027745.db2.gz MFRHZRZLAJBNGY-CYBMUJFWSA-N 0 0 376.210 3.135 10 30 GGEERN N#Cc1ccc(C2(C(=O)N3CCC(n4cc(Br)cn4)CC3)CC2)cc1 ZINC000363995927 566029910 /nfs/dbraw/zinc/02/99/10/566029910.db2.gz CXYSCMFEDKNNRK-UHFFFAOYSA-N 0 0 399.292 3.413 10 30 GGEERN CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(C#N)c1Br ZINC000416074852 566033545 /nfs/dbraw/zinc/03/35/45/566033545.db2.gz DLLGTRWMEZUOIR-ZWNOBZJWSA-N 0 0 396.310 3.207 10 30 GGEERN CC(C)(C)OC(=O)CSCC(=O)Nc1cccc(C#N)c1Br ZINC000416076411 566033663 /nfs/dbraw/zinc/03/36/63/566033663.db2.gz HIFFVCIUMGNSOK-UHFFFAOYSA-N 0 0 385.283 3.334 10 30 GGEERN COCCN(Cc1ccc(C#N)cc1)C(=O)c1ncsc1Br ZINC000287787764 566040597 /nfs/dbraw/zinc/04/05/97/566040597.db2.gz AZWBCQZSNHIEQG-UHFFFAOYSA-N 0 0 380.267 3.066 10 30 GGEERN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@@H](c2ccccc2)CO1 ZINC000246794918 566041178 /nfs/dbraw/zinc/04/11/78/566041178.db2.gz JKWAMKZNGZDMDA-SCLBCKFNSA-N 0 0 376.865 3.362 10 30 GGEERN CCN1CC[C@@H](NS(=O)(=O)CCCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180194997 566042244 /nfs/dbraw/zinc/04/22/44/566042244.db2.gz XYNCXIGRNWOOGH-SJORKVTESA-N 0 0 387.908 3.228 10 30 GGEERN C#C[C@H](NC(=O)[C@@H](CCSC)NC(=O)c1ccccc1Cl)C(C)(C)C ZINC000288113854 566057675 /nfs/dbraw/zinc/05/76/75/566057675.db2.gz HNBMPJAHEYJFGG-CVEARBPZSA-N 0 0 380.941 3.356 10 30 GGEERN N#Cc1cccnc1N1CCN(CCOc2c(Cl)cccc2Cl)CC1 ZINC000247695452 566065477 /nfs/dbraw/zinc/06/54/77/566065477.db2.gz ZSXCLCKNSVTSTF-UHFFFAOYSA-N 0 0 377.275 3.461 10 30 GGEERN Cc1cc(S(=O)(=O)N2CCC(C)(C#N)CC2)c(F)cc1Br ZINC000416455213 566069592 /nfs/dbraw/zinc/06/95/92/566069592.db2.gz KDEPJKZRKQQMBD-UHFFFAOYSA-N 0 0 375.263 3.211 10 30 GGEERN Cc1cc(NC(=O)C(=O)NCC2CCC(C#N)CC2)c(F)cc1Br ZINC000288389894 566072116 /nfs/dbraw/zinc/07/21/16/566072116.db2.gz MCTCWZVBGHGUPN-UHFFFAOYSA-N 0 0 396.260 3.281 10 30 GGEERN C[C@@H]1[C@H](C(F)(F)F)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416475148 566072607 /nfs/dbraw/zinc/07/26/07/566072607.db2.gz IWLOUIMQSGSCFZ-LDYMZIIASA-N 0 0 397.216 3.282 10 30 GGEERN C[C@H]1[C@H](C(F)(F)F)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416475145 566072919 /nfs/dbraw/zinc/07/29/19/566072919.db2.gz IWLOUIMQSGSCFZ-GZMMTYOYSA-N 0 0 397.216 3.282 10 30 GGEERN C=CC[C@@H](CC)NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000288510726 566077538 /nfs/dbraw/zinc/07/75/38/566077538.db2.gz UDDPRAHNTKTDQE-SECBINFHSA-N 0 0 394.191 3.272 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1NC[C@@H]1CCCN(C(N)=O)C1 ZINC000288504891 566077975 /nfs/dbraw/zinc/07/79/75/566077975.db2.gz MQUDVZYWVZFQMQ-NSHDSACASA-N 0 0 388.269 3.072 10 30 GGEERN N#C[C@@H]1CN(C(=O)c2ccc(Br)c(Cl)c2F)CCN1C1CC1 ZINC000365521966 566106082 /nfs/dbraw/zinc/10/60/82/566106082.db2.gz JQCVVVQIGVTOQB-SNVBAGLBSA-N 0 0 386.652 3.054 10 30 GGEERN N#CC1(c2ccc(C(=O)N[C@H](CO)c3cccc(Br)c3)cc2)CC1 ZINC000181067713 566110634 /nfs/dbraw/zinc/11/06/34/566110634.db2.gz OBLDQIKXBVZNOJ-QGZVFWFLSA-N 0 0 385.261 3.468 10 30 GGEERN Cc1nc(C[C@H]2CCCN(Cc3ccc(C#N)cc3Br)C2)no1 ZINC000181080590 566111865 /nfs/dbraw/zinc/11/18/65/566111865.db2.gz HBOJVLHTIRGGMU-CQSZACIVSA-N 0 0 375.270 3.467 10 30 GGEERN CCOc1cc(C=NNC(N)=S)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000252589690 566115523 /nfs/dbraw/zinc/11/55/23/566115523.db2.gz AMRZFAFTJOFOOZ-UHFFFAOYSA-N 0 0 377.853 3.125 10 30 GGEERN N#Cc1ccc(SCC(=O)N[C@@H](CO)c2cccc(Br)c2)cc1 ZINC000181132869 566118393 /nfs/dbraw/zinc/11/83/93/566118393.db2.gz RWDZIFSSNAIHBP-INIZCTEOSA-N 0 0 391.290 3.263 10 30 GGEERN N#Cc1ccc(CN2CCOC[C@@H]2C[C@H](O)c2ccco2)c(Br)c1 ZINC000181149157 566119649 /nfs/dbraw/zinc/11/96/49/566119649.db2.gz LKJUZCXBGFGXPM-RDJZCZTQSA-N 0 0 391.265 3.238 10 30 GGEERN N#Cc1ccc(CN2CCC[C@H]2C(=O)Nc2nccs2)c(Br)c1 ZINC000181173500 566122006 /nfs/dbraw/zinc/12/20/06/566122006.db2.gz SOUTVWRUNHMQEC-AWEZNQCLSA-N 0 0 391.294 3.380 10 30 GGEERN CCc1cccc(CC)c1NC(=O)Cn1cc(Br)cc(C#N)c1=O ZINC000289473589 566123373 /nfs/dbraw/zinc/12/33/73/566123373.db2.gz HOPXXLMOCOKTOQ-UHFFFAOYSA-N 0 0 388.265 3.246 10 30 GGEERN Cc1nc(C(F)(F)F)c(Cn2cc(Br)cc(C#N)c2=O)s1 ZINC000289508368 566126596 /nfs/dbraw/zinc/12/65/96/566126596.db2.gz LMLUCQWWWGOXKC-UHFFFAOYSA-N 0 0 378.173 3.315 10 30 GGEERN CCCOc1ccc(Br)cc1C[S@](=O)Cc1ncc(C#N)cn1 ZINC000417155736 566128056 /nfs/dbraw/zinc/12/80/56/566128056.db2.gz BBJACLDRZOUBBR-QHCPKHFHSA-N 0 0 394.294 3.348 10 30 GGEERN N#Cc1ncn(-c2ccccc2NC(=O)Cc2ccc(Br)s2)n1 ZINC000366047905 566133219 /nfs/dbraw/zinc/13/32/19/566133219.db2.gz OWXPEKQIAFLRRM-UHFFFAOYSA-N 0 0 388.250 3.144 10 30 GGEERN CS(=O)(=O)Cc1cccc(CNc2ccc(Br)cc2C#N)c1 ZINC000181497232 566144452 /nfs/dbraw/zinc/14/44/52/566144452.db2.gz DNTHQFZUUVMLNP-UHFFFAOYSA-N 0 0 379.279 3.477 10 30 GGEERN C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCCCOC ZINC000417510599 566152253 /nfs/dbraw/zinc/15/22/53/566152253.db2.gz XIDXWZZMKRCMQX-UHFFFAOYSA-N 0 0 396.333 3.485 10 30 GGEERN CS(=O)(=O)CC[C@H]1CCCCN1Cc1ccc(C#N)cc1Br ZINC000366438660 566152720 /nfs/dbraw/zinc/15/27/20/566152720.db2.gz LWWJBGNZTRANOY-OAHLLOKOSA-N 0 0 385.327 3.110 10 30 GGEERN CS(=O)(=O)CC[C@@H]1CCCCN1Cc1ccc(C#N)cc1Br ZINC000366438659 566153155 /nfs/dbraw/zinc/15/31/55/566153155.db2.gz LWWJBGNZTRANOY-HNNXBMFYSA-N 0 0 385.327 3.110 10 30 GGEERN C=CCCCN(C)C(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000181670915 566157298 /nfs/dbraw/zinc/15/72/98/566157298.db2.gz GRCKVFHVAWJKJK-UHFFFAOYSA-N 0 0 378.519 3.181 10 30 GGEERN CC(C)c1nc([C@H]2CCCCCN2S(=O)(=O)c2ccc(C#N)s2)no1 ZINC000366643411 566161929 /nfs/dbraw/zinc/16/19/29/566161929.db2.gz GFQHSKLXHAPLRY-CYBMUJFWSA-N 0 0 380.495 3.432 10 30 GGEERN C=C[C@](C)(O)CC(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000290330367 566167193 /nfs/dbraw/zinc/16/71/93/566167193.db2.gz LWJZGBGPGOLANR-ZBFHGGJFSA-N 0 0 385.245 3.282 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000366921378 566177420 /nfs/dbraw/zinc/17/74/20/566177420.db2.gz KSHDZHNNXVCSDR-CVEARBPZSA-N 0 0 388.265 3.253 10 30 GGEERN COc1cc(Br)ccc1CN1CCN(c2ncccc2C#N)CC1 ZINC000182068286 566180263 /nfs/dbraw/zinc/18/02/63/566180263.db2.gz SHTNHHSGVCFVHM-UHFFFAOYSA-N 0 0 387.281 3.047 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000291041797 566201600 /nfs/dbraw/zinc/20/16/00/566201600.db2.gz CPUQJVJIFSJAKZ-CYBMUJFWSA-N 0 0 399.292 3.318 10 30 GGEERN N#Cc1cc(S(=O)(=O)N(Cc2cccs2)C[C@@H]2CCCO2)ccc1F ZINC000264044714 566204364 /nfs/dbraw/zinc/20/43/64/566204364.db2.gz FYCPBONJTKIIPA-AWEZNQCLSA-N 0 0 380.466 3.129 10 30 GGEERN N#Cc1cc(S(=O)(=O)N(Cc2cccs2)C[C@H]2CCCO2)ccc1F ZINC000264044716 566204426 /nfs/dbraw/zinc/20/44/26/566204426.db2.gz FYCPBONJTKIIPA-CQSZACIVSA-N 0 0 380.466 3.129 10 30 GGEERN CCCCCCCS(=O)(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000367522619 566205552 /nfs/dbraw/zinc/20/55/52/566205552.db2.gz HPJLMEBBKCLRSH-UHFFFAOYSA-N 0 0 389.949 3.163 10 30 GGEERN CCCC[C@H](ON=C(C)C)C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000291213808 566209865 /nfs/dbraw/zinc/20/98/65/566209865.db2.gz KLOUYLWWZNQIBR-QEJZJMRPSA-N 0 0 386.539 3.443 10 30 GGEERN N#Cc1cc(C(=O)N2CCC[C@H]2c2ccccc2I)c[nH]1 ZINC000367699731 566212057 /nfs/dbraw/zinc/21/20/57/566212057.db2.gz RMENIIIRUWECJK-HNNXBMFYSA-N 0 0 391.212 3.468 10 30 GGEERN C#CCC(CC#C)C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000367947410 566224508 /nfs/dbraw/zinc/22/45/08/566224508.db2.gz JHAUSJZFQRKKKO-KRWDZBQOSA-N 0 0 378.241 3.151 10 30 GGEERN CCCN(Cc1ncc(C#N)cn1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000418873813 566225894 /nfs/dbraw/zinc/22/58/94/566225894.db2.gz YGTOPTMAUBOVQL-UHFFFAOYSA-N 0 0 385.276 3.256 10 30 GGEERN CC(C)(C)C(=O)NCCCC(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000264861618 566226113 /nfs/dbraw/zinc/22/61/13/566226113.db2.gz FUBBSOCRWDGURT-CQSZACIVSA-N 0 0 380.286 3.072 10 30 GGEERN N#C[C@@H](NC(=O)c1cc2c([nH]c1=O)CCCC2)c1ccc(Br)cc1 ZINC000264879301 566226806 /nfs/dbraw/zinc/22/68/06/566226806.db2.gz JVDXGYSMNGWGNA-MRXNPFEDSA-N 0 0 386.249 3.423 10 30 GGEERN Cc1nn(C)c(C)c1CCC(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000264907936 566226974 /nfs/dbraw/zinc/22/69/74/566226974.db2.gz QKARDKPNYRTMDQ-MRXNPFEDSA-N 0 0 375.270 3.113 10 30 GGEERN N#Cc1ccccc1S(=O)(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000182873369 566227365 /nfs/dbraw/zinc/22/73/65/566227365.db2.gz FODKAXFTVIVTAW-AWEZNQCLSA-N 0 0 376.306 3.418 10 30 GGEERN C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000264916899 566227631 /nfs/dbraw/zinc/22/76/31/566227631.db2.gz STSRERVTCXYZPS-GWCFXTLKSA-N 0 0 382.258 3.043 10 30 GGEERN CCCC(=O)N1CCC[C@@H](C(=O)N[C@H](C#N)c2ccc(Br)cc2)C1 ZINC000264921455 566227769 /nfs/dbraw/zinc/22/77/69/566227769.db2.gz UXJATGHVTYAFTK-GDBMZVCRSA-N 0 0 392.297 3.169 10 30 GGEERN COC(=O)C[C@@](C)(NCc1nc(C#N)cs1)c1ccc(Br)cc1 ZINC000419290513 566231709 /nfs/dbraw/zinc/23/17/09/566231709.db2.gz YZESZOIHBWGUSB-MRXNPFEDSA-N 0 0 394.294 3.345 10 30 GGEERN N#CCc1ccc(NC(=O)c2cc3c(cc2Br)NC(=O)CO3)cc1 ZINC000182983098 566233647 /nfs/dbraw/zinc/23/36/47/566233647.db2.gz YTLFNVXCLVUPRS-UHFFFAOYSA-N 0 0 386.205 3.098 10 30 GGEERN C=CCOCCSCC(=O)Nc1cccc(I)c1 ZINC000419507895 566236912 /nfs/dbraw/zinc/23/69/12/566236912.db2.gz PSEIDUGMQJJOJK-UHFFFAOYSA-N 0 0 377.247 3.166 10 30 GGEERN CN(CCOc1ccc(Cl)cc1)C(=O)CSCc1nc(C#N)cs1 ZINC000419639919 566240318 /nfs/dbraw/zinc/24/03/18/566240318.db2.gz HZODIKRIIQHQHK-UHFFFAOYSA-N 0 0 381.910 3.439 10 30 GGEERN CCCOCc1ccccc1CNC(=O)CSCc1nc(C#N)cs1 ZINC000419639074 566240438 /nfs/dbraw/zinc/24/04/38/566240438.db2.gz HLZYSDYWNOSFIG-UHFFFAOYSA-N 0 0 375.519 3.491 10 30 GGEERN CC[C@@H]1CN(C(=O)Nc2ccc(C#N)c(Br)c2)C[C@@]2(CCOC2)O1 ZINC000368577452 566242176 /nfs/dbraw/zinc/24/21/76/566242176.db2.gz WJZDVJZJMZNDEZ-RHSMWYFYSA-N 0 0 394.269 3.123 10 30 GGEERN CC[C@@H]1CN(C(=O)Nc2ccc(C#N)c(Br)c2)C[C@]2(CCOC2)O1 ZINC000368577448 566242200 /nfs/dbraw/zinc/24/22/00/566242200.db2.gz WJZDVJZJMZNDEZ-PBHICJAKSA-N 0 0 394.269 3.123 10 30 GGEERN N#Cc1cccc(NC(=O)C(=O)NCC2CCCCCC2)c1Br ZINC000419730595 566243229 /nfs/dbraw/zinc/24/32/29/566243229.db2.gz NIZZSRLXMOBZFN-UHFFFAOYSA-N 0 0 378.270 3.346 10 30 GGEERN N#Cc1csc(CNc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)n1 ZINC000419731761 566243271 /nfs/dbraw/zinc/24/32/71/566243271.db2.gz AZMXMSGAOKDMGZ-UHFFFAOYSA-N 0 0 382.898 3.065 10 30 GGEERN Cc1csc(NC2CCN(S(=O)(=O)c3ccc(Cl)cc3C#N)CC2)n1 ZINC000368707280 566244205 /nfs/dbraw/zinc/24/42/05/566244205.db2.gz LRITXHSGDNQYOZ-UHFFFAOYSA-N 0 0 396.925 3.242 10 30 GGEERN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000266080468 566245712 /nfs/dbraw/zinc/24/57/12/566245712.db2.gz NOZHMQRDZVJUOY-PIGZYNQJSA-N 0 0 389.297 3.359 10 30 GGEERN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000266080459 566245756 /nfs/dbraw/zinc/24/57/56/566245756.db2.gz NOZHMQRDZVJUOY-DIFFPNOSSA-N 0 0 389.297 3.359 10 30 GGEERN N#Cc1cc(NC(=O)c2cc3c(cc2Br)NC(=O)CO3)ccc1F ZINC000183397755 566245834 /nfs/dbraw/zinc/24/58/34/566245834.db2.gz YRGOKBAGPUWTOE-UHFFFAOYSA-N 0 0 390.168 3.043 10 30 GGEERN COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000183426009 566246554 /nfs/dbraw/zinc/24/65/54/566246554.db2.gz PGYRNPUCXRQCEM-NSHDSACASA-N 0 0 380.853 3.268 10 30 GGEERN C=CCn1c(C)nnc1N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000508910417 566251067 /nfs/dbraw/zinc/25/10/67/566251067.db2.gz CCAAQCIMXLWTNQ-UHFFFAOYSA-N 0 0 380.323 3.444 10 30 GGEERN CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599273971 566251947 /nfs/dbraw/zinc/25/19/47/566251947.db2.gz LBXJCILIDSZWMT-INIZCTEOSA-N 0 0 399.304 3.481 10 30 GGEERN C=CCn1c(-c2cc(F)ccc2Br)nnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000508920830 566252016 /nfs/dbraw/zinc/25/20/16/566252016.db2.gz KHGAWYMBCICMCY-BETUJISGSA-N 0 0 393.260 3.400 10 30 GGEERN C=CCn1c(-c2ccc(Br)s2)nnc1N(C)Cc1ccnn1C ZINC000508946468 566252094 /nfs/dbraw/zinc/25/20/94/566252094.db2.gz TWLJVRFVDVWPEK-UHFFFAOYSA-N 0 0 393.314 3.325 10 30 GGEERN C=CCCC(=O)N[C@H](Cc1c[nH]c2cccc(Br)c12)C(=O)OC ZINC000534735536 566252446 /nfs/dbraw/zinc/25/24/46/566252446.db2.gz OYDQSUAHYWJKRO-CQSZACIVSA-N 0 0 379.254 3.097 10 30 GGEERN COc1ccc(Br)c([C@@H]2C(=O)N(CC3(CC#N)CC3)C(=O)N2C)c1 ZINC000419932750 566252710 /nfs/dbraw/zinc/25/27/10/566252710.db2.gz AIXHXOSQZGNIOJ-CQSZACIVSA-N 0 0 392.253 3.087 10 30 GGEERN C=CCSCCN1C(=O)[C@H]2Cc3c(Br)cccc3CN2C1=O ZINC000419953947 566254197 /nfs/dbraw/zinc/25/41/97/566254197.db2.gz QHNHNGSCWLTWIZ-CQSZACIVSA-N 0 0 381.295 3.057 10 30 GGEERN N#CC1(C[C@H](O)CN2CCc3cc(Br)cc(F)c3C2)CCOCC1 ZINC000599353222 566255350 /nfs/dbraw/zinc/25/53/50/566255350.db2.gz GVAKOPRAFXBEAP-HNNXBMFYSA-N 0 0 397.288 3.018 10 30 GGEERN N#CC1(CS(=O)(=O)NCC/C=C\c2ccc(Br)cc2)CCC1 ZINC000599372851 566256416 /nfs/dbraw/zinc/25/64/16/566256416.db2.gz NSAYZQPQSOFXBT-RJRFIUFISA-N 0 0 383.311 3.466 10 30 GGEERN C=CC(C)(C)CCNS(=O)(=O)c1cnc(C(F)F)c(C(=O)OCC)c1 ZINC000599359687 566257076 /nfs/dbraw/zinc/25/70/76/566257076.db2.gz CWYFCUWOABKMKC-UHFFFAOYSA-N 0 0 376.425 3.077 10 30 GGEERN N#CC1(CS(=O)(=O)NCC/C=C/c2ccc(Br)cc2)CCC1 ZINC000599372850 566257112 /nfs/dbraw/zinc/25/71/12/566257112.db2.gz NSAYZQPQSOFXBT-DAFODLJHSA-N 0 0 383.311 3.466 10 30 GGEERN C[C@H](NS(=O)(=O)CC1(C#N)CCC1)c1cc(F)c(Br)cc1F ZINC000599387972 566260054 /nfs/dbraw/zinc/26/00/54/566260054.db2.gz XFYQRPSNTQRGQH-VIFPVBQESA-N 0 0 393.253 3.402 10 30 GGEERN N#CC1(C[C@@H](O)CN2CCC[C@H]2c2ccc(Br)cn2)CCOCC1 ZINC000599402811 566261453 /nfs/dbraw/zinc/26/14/53/566261453.db2.gz GWAQXIYQJWBDFN-WBVHZDCISA-N 0 0 394.313 3.052 10 30 GGEERN COc1cc(Br)ccc1[C@@H]1CCCN1S(=O)(=O)CCCC#N ZINC000599409312 566261486 /nfs/dbraw/zinc/26/14/86/566261486.db2.gz LOYYSXCRZCAQNY-AWEZNQCLSA-N 0 0 387.299 3.228 10 30 GGEERN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000599403312 566262094 /nfs/dbraw/zinc/26/20/94/566262094.db2.gz DVVPFFXMQAXINV-OLZOCXBDSA-N 0 0 376.425 3.236 10 30 GGEERN Cc1oc(S(C)(=O)=O)cc1C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000599391352 566262154 /nfs/dbraw/zinc/26/21/54/566262154.db2.gz YMVRLFOBCKGTJL-NSHDSACASA-N 0 0 378.475 3.496 10 30 GGEERN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cn2c(n1)COCC2 ZINC000624971148 566263693 /nfs/dbraw/zinc/26/36/93/566263693.db2.gz XUFBYYJNAUJULM-UHFFFAOYSA-N 0 0 394.244 3.143 10 30 GGEERN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](CCF)C1 ZINC000624978507 566264947 /nfs/dbraw/zinc/26/49/47/566264947.db2.gz QLRVAYVBVHTQEI-CYBMUJFWSA-N 0 0 398.280 3.177 10 30 GGEERN N#CCC(=O)N1CCN(Cc2coc(-c3cc(Cl)cc(Cl)c3)n2)CC1 ZINC000599434024 566265948 /nfs/dbraw/zinc/26/59/48/566265948.db2.gz PDMWQFASPMBGSC-UHFFFAOYSA-N 0 0 379.247 3.206 10 30 GGEERN N#CC1(C[C@H](O)CN2CC[C@@H]2c2ccc(Br)cc2)CCOCC1 ZINC000599480778 566267804 /nfs/dbraw/zinc/26/78/04/566267804.db2.gz FUYWEMNYWBWCES-DLBZAZTESA-N 0 0 379.298 3.267 10 30 GGEERN C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1S(=O)(=O)CC1(C#N)CC1 ZINC000599493402 566268801 /nfs/dbraw/zinc/26/88/01/566268801.db2.gz ORCGRDYALOPZDL-GXTWGEPZSA-N 0 0 383.311 3.260 10 30 GGEERN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1S(=O)(=O)CC1(C#N)CC1 ZINC000599493404 566269273 /nfs/dbraw/zinc/26/92/73/566269273.db2.gz ORCGRDYALOPZDL-OCCSQVGLSA-N 0 0 383.311 3.260 10 30 GGEERN COc1cc(Br)ccc1[C@H]1CCCN1CC(=O)NC1(C#N)CCC1 ZINC000599573007 566275402 /nfs/dbraw/zinc/27/54/02/566275402.db2.gz KUAIBJFUDWSMFI-OAHLLOKOSA-N 0 0 392.297 3.157 10 30 GGEERN COc1cc(C#N)ccc1S(=O)(=O)N(C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000462301713 566278440 /nfs/dbraw/zinc/27/84/40/566278440.db2.gz WQQYZGLSIONLLW-OLZOCXBDSA-N 0 0 376.400 3.308 10 30 GGEERN COC(=O)[C@]1(NCCCSCC#N)CCc2cc(Br)ccc2C1 ZINC000599597216 566278840 /nfs/dbraw/zinc/27/88/40/566278840.db2.gz VUZUQFYPIGAAGU-KRWDZBQOSA-N 0 0 397.338 3.086 10 30 GGEERN COC(=O)[C@@H]1CCN(Cc2ccc(Br)cc2C#N)[C@H]2CCC[C@@H]21 ZINC000599644387 566282128 /nfs/dbraw/zinc/28/21/28/566282128.db2.gz AIPLDPIDXFQREO-ZACQAIPSSA-N 0 0 377.282 3.484 10 30 GGEERN C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000599651972 566282643 /nfs/dbraw/zinc/28/26/43/566282643.db2.gz JTKTWODDHVWDIR-HIFRSBDPSA-N 0 0 376.298 3.189 10 30 GGEERN C=CCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H]2COC[C@@]2(C)C1 ZINC000669063891 566283167 /nfs/dbraw/zinc/28/31/67/566283167.db2.gz GZOLOPJFRVXDHB-BDJLRTHQSA-N 0 0 395.326 3.428 10 30 GGEERN C=CCn1c(-c2ccccc2Br)nnc1N1CC[C@@H]2COC[C@H]2C1 ZINC000669072446 566283217 /nfs/dbraw/zinc/28/32/17/566283217.db2.gz DAOKXVBQRGPEOT-ZIAGYGMSSA-N 0 0 389.297 3.366 10 30 GGEERN C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)CC1=CCSC1 ZINC000669064419 566283755 /nfs/dbraw/zinc/28/37/55/566283755.db2.gz JDJWRQOSCJGWSR-UHFFFAOYSA-N 0 0 394.342 3.342 10 30 GGEERN COC(=O)[C@@H]1CCN(Cc2cc(C#N)ccc2Br)[C@H]2CCC[C@H]21 ZINC000599652779 566284316 /nfs/dbraw/zinc/28/43/16/566284316.db2.gz IDPVLHJNNBSPJJ-UXLLHSPISA-N 0 0 377.282 3.484 10 30 GGEERN Cn1cc(C#N)cc1-c1nc(CC(=O)Nc2c(Cl)cccc2Cl)no1 ZINC000445369826 566284258 /nfs/dbraw/zinc/28/42/58/566284258.db2.gz LOKZVHSLBWCQDK-UHFFFAOYSA-N 0 0 376.203 3.435 10 30 GGEERN 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/nfs/dbraw/zinc/47/73/35/566477335.db2.gz UMUURNRMKPUIMS-UHFFFAOYSA-N 0 0 375.240 3.295 10 30 GGEERN COC[C@](C)(NC(=O)CSc1nc(C)c(C)c(C)c1C#N)C(F)(F)F ZINC000464506743 566481038 /nfs/dbraw/zinc/48/10/38/566481038.db2.gz LTOGOCRSVOSPEQ-HNNXBMFYSA-N 0 0 375.416 3.054 10 30 GGEERN N#Cc1c(F)cccc1-n1ccc(NC(=O)c2csc(Br)c2)n1 ZINC000511708502 566483423 /nfs/dbraw/zinc/48/34/23/566483423.db2.gz UPGCJXOLUHOHMT-UHFFFAOYSA-N 0 0 391.225 3.381 10 30 GGEERN O=S(=O)(NCc1c(F)cc(F)c(F)c1F)c1cccnc1C(F)(F)F ZINC000672410226 566488225 /nfs/dbraw/zinc/48/82/25/566488225.db2.gz MLGRHGLQQAIZPU-UHFFFAOYSA-N 0 0 388.264 3.135 10 30 GGEERN N#Cc1cc(Br)ccc1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000448706317 566488637 /nfs/dbraw/zinc/48/86/37/566488637.db2.gz XXKPTUMOPWVDQQ-UHFFFAOYSA-N 0 0 385.265 3.115 10 30 GGEERN N#Cc1cc(Br)ccc1CN1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000578091064 566489494 /nfs/dbraw/zinc/48/94/94/566489494.db2.gz ONYZEMAOINDOED-CQSZACIVSA-N 0 0 391.294 3.380 10 30 GGEERN COc1cc(Br)ccc1[C@H](C)NS(=O)(=O)CC1(C#N)CCC1 ZINC000578100365 566491150 /nfs/dbraw/zinc/49/11/50/566491150.db2.gz KCWPFBPXIHMLRM-NSHDSACASA-N 0 0 387.299 3.132 10 30 GGEERN N#Cc1ccc(NC(=O)[C@H]2CCCN2CC(F)(F)F)cc1Br ZINC000464620883 566492142 /nfs/dbraw/zinc/49/21/42/566492142.db2.gz QWEFUGDKDQUFSK-GFCCVEGCSA-N 0 0 376.176 3.286 10 30 GGEERN CC[C@H](COCC(F)(F)F)NC(=O)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000651127316 566498781 /nfs/dbraw/zinc/49/87/81/566498781.db2.gz USLWWRWSYIPVNK-SECBINFHSA-N 0 0 380.304 3.420 10 30 GGEERN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC[C@H](O)CC1(C#N)CC1 ZINC000602947361 566501785 /nfs/dbraw/zinc/50/17/85/566501785.db2.gz XYKYUHJZAPKEQH-CVEARBPZSA-N 0 0 385.291 3.112 10 30 GGEERN Cc1cc(CNC(=O)c2cscc2C#N)ccc1I ZINC000512007788 566503851 /nfs/dbraw/zinc/50/38/51/566503851.db2.gz KULPLWZLAMNOPP-UHFFFAOYSA-N 0 0 382.226 3.463 10 30 GGEERN COc1cccc(OC)c1CC(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000464854123 566506791 /nfs/dbraw/zinc/50/67/91/566506791.db2.gz HVCRWNTXOMZTPI-HNNXBMFYSA-N 0 0 389.249 3.390 10 30 GGEERN C=CCCC[C@@H](C)NC(=O)c1sccc1S(=O)(=O)NCc1ccco1 ZINC000538330515 566507714 /nfs/dbraw/zinc/50/77/14/566507714.db2.gz LBHNNPGUEQMTDL-CYBMUJFWSA-N 0 0 382.507 3.294 10 30 GGEERN C=CCOCCNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl ZINC000672815701 566508428 /nfs/dbraw/zinc/50/84/28/566508428.db2.gz YJTWGRITXWGGNO-UHFFFAOYSA-N 0 0 389.098 3.237 10 30 GGEERN C=CCCC[C@@H](C)NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000538333283 566508869 /nfs/dbraw/zinc/50/88/69/566508869.db2.gz BDHANMCRSDARGU-GFCCVEGCSA-N 0 0 393.281 3.296 10 30 GGEERN CC[C@@H]1C[C@H]1C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000448911735 566510191 /nfs/dbraw/zinc/51/01/91/566510191.db2.gz QWUOMGDEHVWVKE-KBRIMQKVSA-N 0 0 376.298 3.204 10 30 GGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CCN(Cc2cccs2)CC1 ZINC000424120620 566512930 /nfs/dbraw/zinc/51/29/30/566512930.db2.gz GOPOJCBTAQAKES-INIZCTEOSA-N 0 0 375.567 3.416 10 30 GGEERN COc1ccc(CSCc2ccc(S(=O)(=O)N(C)C)s2)cc1C#N ZINC000424130448 566514629 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CCN(C[C@H](C)C#N)C(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000512270211 566523251 /nfs/dbraw/zinc/52/32/51/566523251.db2.gz LJEUGKGVPBZVDY-DYVFJYSZSA-N 0 0 384.307 3.375 10 30 GGEERN COc1cccc(C(=O)COc2ccc(C#N)cc2I)c1 ZINC000538636918 566524503 /nfs/dbraw/zinc/52/45/03/566524503.db2.gz RAXWQEVMTGVYDT-UHFFFAOYSA-N 0 0 393.180 3.433 10 30 GGEERN N#Cc1ccc(OCC(=O)[C@H]2Cc3ccccc32)c(I)c1 ZINC000538639038 566524935 /nfs/dbraw/zinc/52/49/35/566524935.db2.gz CAMIUXCPBNWRDO-AWEZNQCLSA-N 0 0 389.192 3.451 10 30 GGEERN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN(C[C@@H](C)C#N)C1CC1 ZINC000449038485 566525384 /nfs/dbraw/zinc/52/53/84/566525384.db2.gz UYGTYFVVXLFCJE-STQMWFEESA-N 0 0 394.313 3.086 10 30 GGEERN COC(=O)c1cc(Br)cc(C(=O)N[C@H](C#N)c2ccc(F)cc2)c1 ZINC000485777275 566526368 /nfs/dbraw/zinc/52/63/68/566526368.db2.gz QBMMTRKPGZTCAF-OAHLLOKOSA-N 0 0 391.196 3.369 10 30 GGEERN C=CCC1(c2nc(CS(=O)(=O)c3ccc(Cl)cc3)no2)CCOCC1 ZINC000424351478 566528616 /nfs/dbraw/zinc/52/86/16/566528616.db2.gz 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566539187 /nfs/dbraw/zinc/53/91/87/566539187.db2.gz WMRJPXMMTUQUHX-MSOLQXFVSA-N 0 0 376.547 3.305 10 30 GGEERN N#Cc1ccc(OCCNC(=O)NCc2csc(Br)c2)cc1 ZINC000465655951 566539743 /nfs/dbraw/zinc/53/97/43/566539743.db2.gz JUIIOMNSMXKDCF-UHFFFAOYSA-N 0 0 380.267 3.260 10 30 GGEERN CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1ccc(Cl)cc1Cl ZINC000559342082 566544411 /nfs/dbraw/zinc/54/44/11/566544411.db2.gz VJYZZRQQBZYRGG-UHFFFAOYSA-N 0 0 376.243 3.140 10 30 GGEERN C=CC(C)(C)CCNC(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000628316892 566544806 /nfs/dbraw/zinc/54/48/06/566544806.db2.gz NQTRZYUMHYDZNZ-UHFFFAOYSA-N 0 0 388.327 3.082 10 30 GGEERN C=CC(C)(C)CCNC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000628316618 566545040 /nfs/dbraw/zinc/54/50/40/566545040.db2.gz BYQBYWUNKYEAEG-UHFFFAOYSA-N 0 0 392.290 3.324 10 30 GGEERN C[C@H]1Cc2ccc(Br)cc2CN1S(=O)(=O)CC1(C#N)CCC1 ZINC000578699619 566545439 /nfs/dbraw/zinc/54/54/39/566545439.db2.gz QPCSUQNILANQCS-LBPRGKRZSA-N 0 0 383.311 3.219 10 30 GGEERN CC(C)(Cc1ccc(Br)cc1)NS(=O)(=O)CC1(C#N)CCC1 ZINC000578699531 566545664 /nfs/dbraw/zinc/54/56/64/566545664.db2.gz NOVOAGBNPDRTHU-UHFFFAOYSA-N 0 0 385.327 3.383 10 30 GGEERN C=CC(C)(C)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 ZINC000628317995 566546253 /nfs/dbraw/zinc/54/62/53/566546253.db2.gz KEOZRHYRFHIUMZ-OAHLLOKOSA-N 0 0 384.567 3.176 10 30 GGEERN C=CC(C)(C)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 ZINC000628317994 566546307 /nfs/dbraw/zinc/54/63/07/566546307.db2.gz KEOZRHYRFHIUMZ-HNNXBMFYSA-N 0 0 384.567 3.176 10 30 GGEERN C=CC(C)(C)CCNC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000628318125 566546610 /nfs/dbraw/zinc/54/66/10/566546610.db2.gz PJTRSKWUXFBGAM-UHFFFAOYSA-N 0 0 393.281 3.154 10 30 GGEERN N#Cc1ccc(OCCNC(=O)NCCc2ccccc2Br)cc1 ZINC000465809563 566548435 /nfs/dbraw/zinc/54/84/35/566548435.db2.gz KGNCIFDVTRSFQC-UHFFFAOYSA-N 0 0 388.265 3.241 10 30 GGEERN C=CCC1(C(=O)NCC(=O)Nc2cc(Br)ccc2C)CCOCC1 ZINC000424622363 566548872 /nfs/dbraw/zinc/54/88/72/566548872.db2.gz CFRYWPXVZSZEDY-UHFFFAOYSA-N 0 0 395.297 3.185 10 30 GGEERN C=C(CNC(=O)N[C@@H](CO)c1cccc(Br)c1)c1ccccc1 ZINC000512659577 566549083 /nfs/dbraw/zinc/54/90/83/566549083.db2.gz IFRBLDRFQGYYNB-KRWDZBQOSA-N 0 0 375.266 3.495 10 30 GGEERN CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2cccc(Cl)c2C#N)CC1 ZINC000538949294 566550089 /nfs/dbraw/zinc/55/00/89/566550089.db2.gz RFZWCTMGNHHUDR-GFCCVEGCSA-N 0 0 380.897 3.494 10 30 GGEERN CC(C)(C#N)CNC(=O)N1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000512793620 566557044 /nfs/dbraw/zinc/55/70/44/566557044.db2.gz VTMYUUIZLFEMJV-UHFFFAOYSA-N 0 0 383.323 3.413 10 30 GGEERN N#CCCN(CC(F)(F)F)C(=O)Cc1noc2ccc(Br)cc21 ZINC000424704348 566559809 /nfs/dbraw/zinc/55/98/09/566559809.db2.gz WXSZMDHXIDTWDN-UHFFFAOYSA-N 0 0 390.159 3.437 10 30 GGEERN COC(=O)[C@H]1Cc2c(Br)cccc2CN1Cc1cc(C#N)cs1 ZINC000449421471 566561382 /nfs/dbraw/zinc/56/13/82/566561382.db2.gz AKFMYMWPNREZOR-MRXNPFEDSA-N 0 0 391.290 3.482 10 30 GGEERN C=CC[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000628492152 566561761 /nfs/dbraw/zinc/56/17/61/566561761.db2.gz OVBFXQFDZRTOPM-LLVKDONJSA-N 0 0 376.400 3.115 10 30 GGEERN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2ccoc2Br)n1 ZINC000486139063 566561905 /nfs/dbraw/zinc/56/19/05/566561905.db2.gz RGBIBHUVOFZUOA-UHFFFAOYSA-N 0 0 391.612 3.427 10 30 GGEERN C=CC[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)C1 ZINC000628487944 566561935 /nfs/dbraw/zinc/56/19/35/566561935.db2.gz OTFRPOCOPNCVDQ-HNNXBMFYSA-N 0 0 382.551 3.207 10 30 GGEERN C=CC[C@H]1CCN(C(=O)c2nnn(-c3cccc(Br)c3)c2C)C1 ZINC000628487012 566562600 /nfs/dbraw/zinc/56/26/00/566562600.db2.gz VTGQQYBSHASZMS-ZDUSSCGKSA-N 0 0 375.270 3.376 10 30 GGEERN C=CCC1(C(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)CCOCC1 ZINC000424724788 566563540 /nfs/dbraw/zinc/56/35/40/566563540.db2.gz FZKGUJRPGDVSMJ-CYBMUJFWSA-N 0 0 388.291 3.222 10 30 GGEERN C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cccc(Br)c1Cl ZINC000578917322 566563680 /nfs/dbraw/zinc/56/36/80/566563680.db2.gz OJJAPUSTSUOQHK-HZMBPMFUSA-N 0 0 394.718 3.362 10 30 GGEERN O=S(=O)(c1cccnc1C(F)(F)F)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000651801795 566564176 /nfs/dbraw/zinc/56/41/76/566564176.db2.gz IQGFUMZODMDIAY-UHFFFAOYSA-N 0 0 392.296 3.156 10 30 GGEERN O=S(=O)(c1c(F)cc(F)cc1F)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000651801829 566564570 /nfs/dbraw/zinc/56/45/70/566564570.db2.gz KRDLETSDINYNIN-UHFFFAOYSA-N 0 0 377.281 3.159 10 30 GGEERN C[C@H](C(=O)Nc1ccc(Br)c(Cl)c1Cl)n1cnc(C#N)n1 ZINC000466328326 566566499 /nfs/dbraw/zinc/56/64/99/566566499.db2.gz RYSGGJATXATNNK-ZCFIWIBFSA-N 0 0 389.040 3.419 10 30 GGEERN C=CCOc1c(Br)cc(CN2CC[C@@](O)(C(F)F)C2)cc1OC ZINC000449474434 566568219 /nfs/dbraw/zinc/56/82/19/566568219.db2.gz RWXFBRPSLFPPJF-INIZCTEOSA-N 0 0 392.240 3.224 10 30 GGEERN N#Cc1cscc1C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000559743575 566569453 /nfs/dbraw/zinc/56/94/53/566569453.db2.gz QGMSQQKSALVZEY-LBPRGKRZSA-N 0 0 376.279 3.391 10 30 GGEERN C=CCC1(C(=O)N(CCO)Cc2ccc(Br)s2)CCOCC1 ZINC000424795976 566570773 /nfs/dbraw/zinc/57/07/73/566570773.db2.gz CWGHCBBTKGXYNJ-UHFFFAOYSA-N 0 0 388.327 3.204 10 30 GGEERN C=CCC1(C(=O)NC[C@H](CO)Cc2ccc(Br)cc2)CCOCC1 ZINC000424796598 566571779 /nfs/dbraw/zinc/57/17/79/566571779.db2.gz DJUVTINHJJLKTK-MRXNPFEDSA-N 0 0 396.325 3.089 10 30 GGEERN COc1ccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c(OC)c1 ZINC000513136609 566583016 /nfs/dbraw/zinc/58/30/16/566583016.db2.gz ZAWXYPGZLUBCAB-HNNXBMFYSA-N 0 0 375.222 3.461 10 30 GGEERN N#Cc1cc(Br)ccc1C(=O)NCC(=O)C1CCC(F)(F)CC1 ZINC000424880336 566583599 /nfs/dbraw/zinc/58/35/99/566583599.db2.gz ALGVDHOBJDMRQM-UHFFFAOYSA-N 0 0 385.208 3.445 10 30 GGEERN C=CCCN(C)C(=O)Nc1cc(I)cc(C(=O)OC)c1 ZINC000466555957 566584288 /nfs/dbraw/zinc/58/42/88/566584288.db2.gz OWSCPVZALSTFEG-UHFFFAOYSA-N 0 0 388.205 3.118 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(Cl)ccc1I ZINC000424934913 566588458 /nfs/dbraw/zinc/58/84/58/566588458.db2.gz WBODDUCSSRDMAV-ZANVPECISA-N 0 0 391.636 3.266 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(I)cc(C)c1C ZINC000424931157 566588744 /nfs/dbraw/zinc/58/87/44/566588744.db2.gz JBRXDMBRTSZDNP-WFASDCNBSA-N 0 0 385.245 3.229 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000424928906 566588845 /nfs/dbraw/zinc/58/88/45/566588845.db2.gz AOEYGBMXFNILJH-RYQLBKOJSA-N 0 0 393.325 3.293 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](CCOC)Cc1cccc(Br)c1 ZINC000424933787 566588918 /nfs/dbraw/zinc/58/89/18/566588918.db2.gz RXCHSSRSCMISQM-RYRKJORJSA-N 0 0 396.325 3.352 10 30 GGEERN N#Cc1ccc(I)c(OCC(=O)[C@H]2Cc3ccccc32)c1 ZINC000539709150 566598223 /nfs/dbraw/zinc/59/82/23/566598223.db2.gz WLFZSVXCHVQRIA-AWEZNQCLSA-N 0 0 389.192 3.451 10 30 GGEERN N#Cc1ccc(OCC(=O)Nc2ccccc2F)c(I)c1 ZINC000539739829 566598579 /nfs/dbraw/zinc/59/85/79/566598579.db2.gz BBOAGKOZQURJPA-UHFFFAOYSA-N 0 0 396.159 3.319 10 30 GGEERN C=CCN(CC(F)(F)F)C(=O)COc1cccc(Br)c1C#N ZINC000449815821 566603974 /nfs/dbraw/zinc/60/39/74/566603974.db2.gz SHJGQAXUQOJPEN-UHFFFAOYSA-N 0 0 377.160 3.276 10 30 GGEERN C=CCSc1ccccc1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000486627486 566605180 /nfs/dbraw/zinc/60/51/80/566605180.db2.gz JZQBKTRDWVSPAM-ZDUSSCGKSA-N 0 0 376.503 3.103 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CCC1 ZINC000579409024 566606646 /nfs/dbraw/zinc/60/66/46/566606646.db2.gz YNCQUMONTCBIRV-ZDUSSCGKSA-N 0 0 396.818 3.005 10 30 GGEERN Cc1csc([C@H](C)NC(=O)COc2ccc(C#N)c(Br)c2)n1 ZINC000449834963 566607693 /nfs/dbraw/zinc/60/76/93/566607693.db2.gz NGTACKIFUTUBKI-JTQLQIEISA-N 0 0 380.267 3.342 10 30 GGEERN C=CCN(CCc1ccco1)S(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000486648094 566608589 /nfs/dbraw/zinc/60/85/89/566608589.db2.gz YTUJEBTZLVXSQO-UHFFFAOYSA-N 0 0 383.853 3.139 10 30 GGEERN CCc1nc(CNC(=O)COc2ccc(C#N)c(Br)c2)cs1 ZINC000449849128 566609322 /nfs/dbraw/zinc/60/93/22/566609322.db2.gz MGMGZDFPAXMANW-UHFFFAOYSA-N 0 0 380.267 3.035 10 30 GGEERN CCN(CC)S(=O)(=O)c1ccc(Sc2ncc(C#N)cc2Cl)nc1 ZINC000513639744 566614754 /nfs/dbraw/zinc/61/47/54/566614754.db2.gz FQPYHFBLGWORJS-UHFFFAOYSA-N 0 0 382.898 3.183 10 30 GGEERN CC[C@H](NC(=O)COc1cccc(Br)c1C#N)c1nccs1 ZINC000449906767 566615315 /nfs/dbraw/zinc/61/53/15/566615315.db2.gz JNFQLDCUSXPARY-LBPRGKRZSA-N 0 0 380.267 3.424 10 30 GGEERN C=CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC000652563626 566619748 /nfs/dbraw/zinc/61/97/48/566619748.db2.gz WBUQDGDOGSGNRH-OAHLLOKOSA-N 0 0 398.255 3.468 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000579584904 566621096 /nfs/dbraw/zinc/62/10/96/566621096.db2.gz JNYQYGSJQODDKI-WHOFXGATSA-N 0 0 383.286 3.409 10 30 GGEERN CCc1cnc(CCNC(=O)COc2ccc(C#N)c(Br)c2)s1 ZINC000449977435 566621129 /nfs/dbraw/zinc/62/11/29/566621129.db2.gz ZDVRXJRLHRCCGV-UHFFFAOYSA-N 0 0 394.294 3.077 10 30 GGEERN COC[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000486823380 566625597 /nfs/dbraw/zinc/62/55/97/566625597.db2.gz OWLXOQRSOSEYPK-QGZVFWFLSA-N 0 0 382.844 3.359 10 30 GGEERN N#CC1(CNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)CCCC1 ZINC000652715988 566625792 /nfs/dbraw/zinc/62/57/92/566625792.db2.gz QFDGNBWCGQWXLE-UHFFFAOYSA-N 0 0 375.266 3.250 10 30 GGEERN O=C(NCC#Cc1ccccc1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000606167516 566625795 /nfs/dbraw/zinc/62/57/95/566625795.db2.gz PFCHQJNEYGHRHZ-UHFFFAOYSA-N 0 0 381.229 3.484 10 30 GGEERN CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000579640518 566625999 /nfs/dbraw/zinc/62/59/99/566625999.db2.gz CQBFMNSFEYKDTK-YGRLFVJLSA-N 0 0 396.310 3.207 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1N1CCC[C@H](n2ccnn2)C1 ZINC000425281163 566626856 /nfs/dbraw/zinc/62/68/56/566626856.db2.gz YWXIIERCCANGPN-ZDUSSCGKSA-N 0 0 383.253 3.302 10 30 GGEERN C[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000486833353 566627593 /nfs/dbraw/zinc/62/75/93/566627593.db2.gz PIBNZNJOSOQTMB-SSDOTTSWSA-N 0 0 379.360 3.212 10 30 GGEERN N#Cc1cc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)ccc1Cl ZINC000540071630 566627858 /nfs/dbraw/zinc/62/78/58/566627858.db2.gz SOPYORGIFZGYKT-KDOFPFPSSA-N 0 0 376.865 3.268 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCCOCc2ccc(Cl)cc2)ccc1Cl ZINC000513847538 566629399 /nfs/dbraw/zinc/62/93/99/566629399.db2.gz NJWIFFKUFIPUCM-UHFFFAOYSA-N 0 0 385.272 3.360 10 30 GGEERN CSCc1cc(F)ccc1CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000467162213 566630054 /nfs/dbraw/zinc/63/00/54/566630054.db2.gz YZVPUKQGJPOVSN-UHFFFAOYSA-N 0 0 386.420 3.317 10 30 GGEERN COC1CCC(CNC(=O)COc2cccc(Br)c2C#N)CC1 ZINC000450068233 566630257 /nfs/dbraw/zinc/63/02/57/566630257.db2.gz RSCMQRWEQAARNV-UHFFFAOYSA-N 0 0 381.270 3.021 10 30 GGEERN C=CCNc1ncc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)s1 ZINC000425322221 566630748 /nfs/dbraw/zinc/63/07/48/566630748.db2.gz IZAOZWCPZCGJIU-UHFFFAOYSA-N 0 0 377.539 3.028 10 30 GGEERN COc1cc(CNC(=O)Cc2ccc(Br)c(F)c2)ccc1C#N ZINC000579780845 566638532 /nfs/dbraw/zinc/63/85/32/566638532.db2.gz LEZDAGAPTSSUEI-UHFFFAOYSA-N 0 0 377.213 3.327 10 30 GGEERN C[C@](C#N)(NC(=O)c1cnn2cc(Br)cnc12)C1CCCCC1 ZINC000560611291 566642190 /nfs/dbraw/zinc/64/21/90/566642190.db2.gz NWMADWQCLFPBBV-MRXNPFEDSA-N 0 0 376.258 3.084 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCCc1ccc(Br)cc1F ZINC000425457800 566645068 /nfs/dbraw/zinc/64/50/68/566645068.db2.gz ZDPZCIZGWWUBSO-BBRMVZONSA-N 0 0 385.277 3.411 10 30 GGEERN Cc1cnc(CCN(C)C(=O)COc2cccc(Br)c2C#N)s1 ZINC000450226860 566645622 /nfs/dbraw/zinc/64/56/22/566645622.db2.gz GZNPLELJYXBFKI-UHFFFAOYSA-N 0 0 394.294 3.166 10 30 GGEERN CCN(CCc1nccs1)C(=O)COc1cccc(Br)c1C#N ZINC000450219997 566646012 /nfs/dbraw/zinc/64/60/12/566646012.db2.gz GIDWZVIRUIFVHA-UHFFFAOYSA-N 0 0 394.294 3.247 10 30 GGEERN N#Cc1cc(Br)cnc1N1CCC(c2nnc3ccccn32)CC1 ZINC000450224665 566646655 /nfs/dbraw/zinc/64/66/55/566646655.db2.gz CBZFNQLUADESBU-UHFFFAOYSA-N 0 0 383.253 3.142 10 30 GGEERN COCCOc1ccc(C#N)cc1NC(=O)c1ncsc1Br ZINC000514242330 566648503 /nfs/dbraw/zinc/64/85/03/566648503.db2.gz MJLWRSRSURPXGF-UHFFFAOYSA-N 0 0 382.239 3.055 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](C)Oc1ccccc1Br ZINC000425491614 566649590 /nfs/dbraw/zinc/64/95/90/566649590.db2.gz MKLSEDQQIDCSFJ-IPYPFGDCSA-N 0 0 383.286 3.107 10 30 GGEERN CCNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccc(C#N)cc1Br ZINC000425532374 566652407 /nfs/dbraw/zinc/65/24/07/566652407.db2.gz BLGXDHOIURJMJQ-LJQANCHMSA-N 0 0 398.304 3.384 10 30 GGEERN CCn1c(CNC(=O)c2ncc(C#N)cc2C)nc2cc(Br)ccc21 ZINC000579938784 566652581 /nfs/dbraw/zinc/65/25/81/566652581.db2.gz QFZGBUFXLYRMFS-UHFFFAOYSA-N 0 0 398.264 3.324 10 30 GGEERN N#Cc1cnc(N2CCO[C@H](c3cccc(Br)c3)C2)c([N+](=O)[O-])c1 ZINC000450295513 566654056 /nfs/dbraw/zinc/65/40/56/566654056.db2.gz YSTADKJZHWTYGJ-HNNXBMFYSA-N 0 0 389.209 3.202 10 30 GGEERN COc1ncc(C(=O)Nc2nc3c(cc2C#N)CCCC3)cc1Br ZINC000425563423 566654580 /nfs/dbraw/zinc/65/45/80/566654580.db2.gz SWIQUZAHWFFNNB-UHFFFAOYSA-N 0 0 387.237 3.250 10 30 GGEERN CCOc1cccc([C@@H]2C[C@@H]2NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000540485852 566654694 /nfs/dbraw/zinc/65/46/94/566654694.db2.gz JDNSSAAXOSCNPG-WMZOPIPTSA-N 0 0 376.865 3.445 10 30 GGEERN CCOc1cccc([C@H]2C[C@H]2NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000540485850 566654848 /nfs/dbraw/zinc/65/48/48/566654848.db2.gz JDNSSAAXOSCNPG-SJLPKXTDSA-N 0 0 376.865 3.445 10 30 GGEERN COc1cccc(N2CC[C@@H](CNc3ncc(Br)cc3C#N)C2)c1 ZINC000450305998 566655615 /nfs/dbraw/zinc/65/56/15/566655615.db2.gz RRFBLUDHONGDFI-ZDUSSCGKSA-N 0 0 387.281 3.085 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000425567138 566655778 /nfs/dbraw/zinc/65/57/78/566655778.db2.gz SAJBHNFMGRIJFS-ZBEGNZNMSA-N 0 0 383.261 3.247 10 30 GGEERN C=CCNC(=O)Cc1noc(-c2coc3c2cc(Br)cc3C)n1 ZINC000580003935 566656478 /nfs/dbraw/zinc/65/64/78/566656478.db2.gz UYDVKRTVRIIYJN-UHFFFAOYSA-N 0 0 376.210 3.398 10 30 GGEERN COC(=O)c1conc1C(C)(C)NCc1ccc(Br)cc1C#N ZINC000425586727 566656787 /nfs/dbraw/zinc/65/67/87/566656787.db2.gz MITSWLPGUGKAJT-UHFFFAOYSA-N 0 0 378.226 3.120 10 30 GGEERN Cc1c(NC(=O)c2ccc(N3CCCC3)nn2)ccc(Br)c1C#N ZINC000425622915 566660164 /nfs/dbraw/zinc/66/01/64/566660164.db2.gz AROOYECOTRGUAA-UHFFFAOYSA-N 0 0 386.253 3.272 10 30 GGEERN Cc1c(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)ccc(Br)c1C#N ZINC000425626174 566661565 /nfs/dbraw/zinc/66/15/65/566661565.db2.gz HAMKDYCXHRTUQW-LLVKDONJSA-N 0 0 378.270 3.215 10 30 GGEERN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(Br)c(C#N)c1C ZINC000425636658 566662822 /nfs/dbraw/zinc/66/28/22/566662822.db2.gz WUWGNHXPVSXHKH-UHFFFAOYSA-N 0 0 392.213 3.071 10 30 GGEERN N#Cc1cc(Br)cnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000450368489 566663374 /nfs/dbraw/zinc/66/33/74/566663374.db2.gz HMILVDBOEDARAT-CQSZACIVSA-N 0 0 399.292 3.362 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(F)c1I ZINC000425660295 566664016 /nfs/dbraw/zinc/66/40/16/566664016.db2.gz WUVSWXGCPRINQF-CABZTGNLSA-N 0 0 390.196 3.143 10 30 GGEERN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1ccc(C#N)n1C ZINC000450388559 566665528 /nfs/dbraw/zinc/66/55/28/566665528.db2.gz ILTUAIOQZSTNNA-ZBEGNZNMSA-N 0 0 376.254 3.165 10 30 GGEERN Cc1ncsc1-c1nc(CS(=O)(=O)CCC2(C#N)CCCCC2)no1 ZINC000560913076 566666337 /nfs/dbraw/zinc/66/63/37/566666337.db2.gz FTDFIXFPNPBJMT-UHFFFAOYSA-N 0 0 380.495 3.281 10 30 GGEERN Cc1c(NC(=O)C(=O)NC[C@H]2CC=CCC2)ccc(Br)c1C#N ZINC000425734794 566671735 /nfs/dbraw/zinc/67/17/35/566671735.db2.gz CSGVUWACDHYGAB-LBPRGKRZSA-N 0 0 376.254 3.040 10 30 GGEERN N#Cc1cnc(N2CCN(c3c(Cl)cccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000450447598 566672343 /nfs/dbraw/zinc/67/23/43/566672343.db2.gz WTBAANPGENDPPU-UHFFFAOYSA-N 0 0 378.219 3.495 10 30 GGEERN Cc1c(NC(=O)C(=O)N(C)C(C2CC2)C2CC2)ccc(Br)c1C#N ZINC000425748384 566674502 /nfs/dbraw/zinc/67/45/02/566674502.db2.gz WTTFXEGDFSETIG-UHFFFAOYSA-N 0 0 390.281 3.215 10 30 GGEERN C=CC[C@@H](CO)CNC(=O)Nc1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000540831076 566674691 /nfs/dbraw/zinc/67/46/91/566674691.db2.gz VQGQPGDOJNNOJP-GFCCVEGCSA-N 0 0 383.279 3.216 10 30 GGEERN N#Cc1cnc(N[C@H]2CCN(c3cccc(Br)c3)C2)c([N+](=O)[O-])c1 ZINC000450485194 566675954 /nfs/dbraw/zinc/67/59/54/566675954.db2.gz OHTLVGWVRRZNFK-ZDUSSCGKSA-N 0 0 388.225 3.315 10 30 GGEERN Cc1c(NC(=O)C(=O)NC2(C3(C)CC3)CC2)ccc(Br)c1C#N ZINC000425780029 566677253 /nfs/dbraw/zinc/67/72/53/566677253.db2.gz KSJPCHDWINOFNC-UHFFFAOYSA-N 0 0 376.254 3.017 10 30 GGEERN C[C@H]1[C@H](Nc2ncc(Br)cc2C#N)CC(=O)N1Cc1ccccc1 ZINC000450499566 566677794 /nfs/dbraw/zinc/67/77/94/566677794.db2.gz KRNSZFLTNOMYJU-BLLLJJGKSA-N 0 0 385.265 3.317 10 30 GGEERN C=CCCn1cc(CNC2(c3ccc(Br)cc3)CCOCC2)nn1 ZINC000653573631 566677753 /nfs/dbraw/zinc/67/77/53/566677753.db2.gz GYBZQBABSJSSMB-UHFFFAOYSA-N 0 0 391.313 3.412 10 30 GGEERN CCn1nc(C(F)(F)F)c(C(=O)NCCOCC(F)(F)F)c1C(F)F ZINC000676149298 566678702 /nfs/dbraw/zinc/67/87/02/566678702.db2.gz DPEGTUHHOKMEIT-UHFFFAOYSA-N 0 0 383.239 3.168 10 30 GGEERN CCn1nc(C(F)(F)F)c(C(=O)N(CCOC)CC(F)F)c1C(F)F ZINC000676225383 566679084 /nfs/dbraw/zinc/67/90/84/566679084.db2.gz VEBAFJVURJCMCM-UHFFFAOYSA-N 0 0 379.276 3.213 10 30 GGEERN Cn1cc(Br)c(CNc2nc3c(c(C#N)c2C#N)CCCCCC3)n1 ZINC000580282749 566680291 /nfs/dbraw/zinc/68/02/91/566680291.db2.gz XPUNCHVILYHNAQ-UHFFFAOYSA-N 0 0 399.296 3.014 10 30 GGEERN N#CC1(CS(=O)(=O)N2CCC[C@@H]2c2ccc(Br)cn2)CCC1 ZINC000580299435 566680803 /nfs/dbraw/zinc/68/08/03/566680803.db2.gz ICOAPOLVITYPLI-CQSZACIVSA-N 0 0 384.299 3.005 10 30 GGEERN N#Cc1cc(Cl)cc(Br)c1NCc1cccc(OCC(N)=O)c1 ZINC000561201457 566684329 /nfs/dbraw/zinc/68/43/29/566684329.db2.gz BNVDXWVWLBNSNQ-UHFFFAOYSA-N 0 0 394.656 3.450 10 30 GGEERN Cc1cc(C#N)nc(N2CCN([C@@H](C)c3ccc(Br)cc3)CC2)n1 ZINC000561199862 566685080 /nfs/dbraw/zinc/68/50/80/566685080.db2.gz BZDMGIDIKICYRR-AWEZNQCLSA-N 0 0 386.297 3.302 10 30 GGEERN C[C@H]1N(C(=O)COc2cccc(Br)c2C#N)CCC12CCOCC2 ZINC000450588430 566688235 /nfs/dbraw/zinc/68/82/35/566688235.db2.gz JVHHNPVWSIGYCH-CYBMUJFWSA-N 0 0 393.281 3.117 10 30 GGEERN COC[C@@](C)(O)CCNc1c(C#N)cnc2c(Br)c(C)ccc21 ZINC000450595961 566688281 /nfs/dbraw/zinc/68/82/81/566688281.db2.gz RSVVJSUJDVFTHR-KRWDZBQOSA-N 0 0 378.270 3.377 10 30 GGEERN N#Cc1ccc(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)s1 ZINC000487723416 566688441 /nfs/dbraw/zinc/68/84/41/566688441.db2.gz NNKAULZSKPZRDL-UHFFFAOYSA-N 0 0 388.250 3.097 10 30 GGEERN Cc1nn(C)c(C)c1CCCNC(=O)c1ccc(Br)cc1C#N ZINC000450622982 566690557 /nfs/dbraw/zinc/69/05/57/566690557.db2.gz LGMIJDDBGHAKND-UHFFFAOYSA-N 0 0 375.270 3.034 10 30 GGEERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487834802 566690812 /nfs/dbraw/zinc/69/08/12/566690812.db2.gz IZEGPOGJECWWFT-SNVBAGLBSA-N 0 0 390.285 3.424 10 30 GGEERN N#Cc1ccc(OCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000561293805 566692120 /nfs/dbraw/zinc/69/21/20/566692120.db2.gz MKTAEZCITMLVEY-UHFFFAOYSA-N 0 0 376.166 3.246 10 30 GGEERN C=CCN(CC(F)(F)F)C(=O)COc1cccc(I)c1 ZINC000426095488 566692269 /nfs/dbraw/zinc/69/22/69/566692269.db2.gz DZNXACHFBKGFIW-UHFFFAOYSA-N 0 0 399.150 3.247 10 30 GGEERN Cc1ccccc1[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CCO1 ZINC000515103379 566692977 /nfs/dbraw/zinc/69/29/77/566692977.db2.gz BKWBLFCLPDBYCD-GOSISDBHSA-N 0 0 376.865 3.282 10 30 GGEERN COC[C@H](NS(=O)(=O)Cc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000580426896 566692961 /nfs/dbraw/zinc/69/29/61/566692961.db2.gz VPIZWANMZMYYED-SFHVURJKSA-N 0 0 378.881 3.213 10 30 GGEERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487872710 566694590 /nfs/dbraw/zinc/69/45/90/566694590.db2.gz DPDROOSGKCOESH-HNNXBMFYSA-N 0 0 393.285 3.185 10 30 GGEERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487872713 566694606 /nfs/dbraw/zinc/69/46/06/566694606.db2.gz DPDROOSGKCOESH-OAHLLOKOSA-N 0 0 393.285 3.185 10 30 GGEERN N#Cc1cc(Br)cnc1N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000450657093 566694733 /nfs/dbraw/zinc/69/47/33/566694733.db2.gz XAPRBPLHWJEKBX-WBVHZDCISA-N 0 0 376.229 3.020 10 30 GGEERN N#Cc1cc(Br)cnc1N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000450657089 566694763 /nfs/dbraw/zinc/69/47/63/566694763.db2.gz XAPRBPLHWJEKBX-NVXWUHKLSA-N 0 0 376.229 3.020 10 30 GGEERN CC[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCS1 ZINC000541099296 566696103 /nfs/dbraw/zinc/69/61/03/566696103.db2.gz UANFQQCHEBRMNN-CQSZACIVSA-N 0 0 375.885 3.179 10 30 GGEERN COCC[C@@H]1CCCCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000450686455 566697151 /nfs/dbraw/zinc/69/71/51/566697151.db2.gz VWEFUJZPCLBSEA-AWEZNQCLSA-N 0 0 395.297 3.365 10 30 GGEERN CO[C@H]1COCC[C@H]1CNc1c(C#N)cnc2c(Br)cccc21 ZINC000450705074 566698474 /nfs/dbraw/zinc/69/84/74/566698474.db2.gz WMFNIMWYSLZELP-NHYWBVRUSA-N 0 0 376.254 3.332 10 30 GGEERN CO[C@@H]1COCC[C@H]1CNc1c(C#N)cnc2c(Br)cccc21 ZINC000450705076 566698508 /nfs/dbraw/zinc/69/85/08/566698508.db2.gz WMFNIMWYSLZELP-XHDPSFHLSA-N 0 0 376.254 3.332 10 30 GGEERN C=CCCCNC(=O)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000468373193 566698622 /nfs/dbraw/zinc/69/86/22/566698622.db2.gz QIIAEGMZLAHHAO-UHFFFAOYSA-N 0 0 379.176 3.489 10 30 GGEERN C=CCCCNC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 ZINC000468371789 566698682 /nfs/dbraw/zinc/69/86/82/566698682.db2.gz HFAFTVTYDACIMP-INIZCTEOSA-N 0 0 394.313 3.206 10 30 GGEERN CCOC(=O)[C@@H]1CC[C@H](NC(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000487961840 566699175 /nfs/dbraw/zinc/69/91/75/566699175.db2.gz 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ZINC000468477212 566704054 /nfs/dbraw/zinc/70/40/54/566704054.db2.gz WGJAKFXUETYFOV-CQSZACIVSA-N 0 0 379.503 3.134 10 30 GGEERN C=CCOCC(=O)N1CCOc2c1cc(Br)cc2C(F)(F)F ZINC000653942405 566704430 /nfs/dbraw/zinc/70/44/30/566704430.db2.gz GHVBDJNHONPLHN-UHFFFAOYSA-N 0 0 380.160 3.396 10 30 GGEERN C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@@H]1CCCNC1=O ZINC000488023159 566704856 /nfs/dbraw/zinc/70/48/56/566704856.db2.gz HOROIBNWVYURGJ-CQSZACIVSA-N 0 0 378.885 3.067 10 30 GGEERN O=S(=O)(NCC1(C(F)(F)F)CC1)c1c(F)cccc1OC(F)(F)F ZINC000515320005 566704982 /nfs/dbraw/zinc/70/49/82/566704982.db2.gz CGNBTDCFRMTZBF-UHFFFAOYSA-N 0 0 381.269 3.345 10 30 GGEERN N#Cc1ccc(-c2nc(CS(=O)(=O)c3cc(Cl)ccc3Cl)no2)o1 ZINC000426431558 566711056 /nfs/dbraw/zinc/71/10/56/566711056.db2.gz UCMSVHNHAVCZCK-UHFFFAOYSA-N 0 0 384.200 3.482 10 30 GGEERN N#Cc1ccc(OCc2nnc(C3CC3)s2)c(I)c1 ZINC000450938040 566721514 /nfs/dbraw/zinc/72/15/14/566721514.db2.gz AEVHLCCDABALFJ-UHFFFAOYSA-N 0 0 383.214 3.471 10 30 GGEERN CCc1nc(CNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)cs1 ZINC000580788125 566722691 /nfs/dbraw/zinc/72/26/91/566722691.db2.gz YKJFGPLFPACJGT-UHFFFAOYSA-N 0 0 376.507 3.191 10 30 GGEERN CN(c1ncc(Br)cc1C#N)C1CCN(CC(F)(F)F)CC1 ZINC000450937767 566722626 /nfs/dbraw/zinc/72/26/26/566722626.db2.gz OJGWXDBEKNPLRS-UHFFFAOYSA-N 0 0 377.208 3.179 10 30 GGEERN O=C(CCOCC(F)(F)C(F)(F)F)N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000654237783 566722984 /nfs/dbraw/zinc/72/29/84/566722984.db2.gz MCSNGACAVAQEQU-DTWKUNHWSA-N 0 0 387.267 3.207 10 30 GGEERN CNC(=O)c1cccc(CCC(=O)Nc2ccc(C#N)c(Br)c2)c1 ZINC000580797496 566723312 /nfs/dbraw/zinc/72/33/12/566723312.db2.gz BTGDLNYAUBAINK-UHFFFAOYSA-N 0 0 386.249 3.252 10 30 GGEERN CN(C1(C#N)CCC1)S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000515819320 566734528 /nfs/dbraw/zinc/73/45/28/566734528.db2.gz NUTWPQQZINHJOD-UHFFFAOYSA-N 0 0 380.267 3.064 10 30 GGEERN N#Cc1cc(S(=O)(=O)N[C@@H]2CCc3c2cccc3Br)ccc1F ZINC000488647459 566738409 /nfs/dbraw/zinc/73/84/09/566738409.db2.gz RYXYZEFQVNCTHV-MRXNPFEDSA-N 0 0 395.253 3.426 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCOc2cccc(Br)c2C1 ZINC000654554085 566740586 /nfs/dbraw/zinc/74/05/86/566740586.db2.gz RJBRTZJKDFHJCT-SUMWQHHRSA-N 0 0 395.297 3.334 10 30 GGEERN C[C@@H](Cc1ccc(Br)cc1)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000488698209 566741566 /nfs/dbraw/zinc/74/15/66/566741566.db2.gz RKQMPEDTUFRGJT-NSHDSACASA-N 0 0 397.269 3.369 10 30 GGEERN C[C@H](Cc1ccc(Br)cc1)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000488698206 566741722 /nfs/dbraw/zinc/74/17/22/566741722.db2.gz RKQMPEDTUFRGJT-LLVKDONJSA-N 0 0 397.269 3.369 10 30 GGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCOc2cccc(Br)c2C1 ZINC000654582650 566742962 /nfs/dbraw/zinc/74/29/62/566742962.db2.gz WXYHQNYKPHNJNB-CABCVRRESA-N 0 0 381.270 3.087 10 30 GGEERN COc1cc(Br)ccc1[C@H](C)N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000468932288 566745279 /nfs/dbraw/zinc/74/52/79/566745279.db2.gz IUGUUXNVFRAPSG-GTNSWQLSSA-N 0 0 388.265 3.207 10 30 GGEERN COc1cc(C)c(S(=O)(=O)NCc2ccc(C#N)c(OC)c2)cc1Cl ZINC000581040891 566745739 /nfs/dbraw/zinc/74/57/39/566745739.db2.gz VXKZLIDDKFWOKA-UHFFFAOYSA-N 0 0 380.853 3.016 10 30 GGEERN C=C1CC(C)(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000630778470 566750929 /nfs/dbraw/zinc/75/09/29/566750929.db2.gz ZDCAFDBPLCTYRO-CYBMUJFWSA-N 0 0 392.297 3.378 10 30 GGEERN CO[C@H](CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1F)C(F)(F)F ZINC000469014348 566753400 /nfs/dbraw/zinc/75/34/00/566753400.db2.gz QFEPZRFIONFWFJ-SNVBAGLBSA-N 0 0 383.285 3.090 10 30 GGEERN CCC(CC)CN(CCC#N)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000609198695 566754041 /nfs/dbraw/zinc/75/40/41/566754041.db2.gz FNIAPPPZEWFEEF-UHFFFAOYSA-N 0 0 386.901 3.452 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCCc2nc3cc(Cl)ccc3s2)ccc1F ZINC000488911858 566757117 /nfs/dbraw/zinc/75/71/17/566757117.db2.gz JXPCKIXTMJYYMF-UHFFFAOYSA-N 0 0 395.868 3.481 10 30 GGEERN N#CC1(CS(=O)(=O)NCc2csc(CCc3ccccc3)n2)CCC1 ZINC000516350126 566760307 /nfs/dbraw/zinc/76/03/07/566760307.db2.gz HKTVSYDGEBLUAP-UHFFFAOYSA-N 0 0 375.519 3.042 10 30 GGEERN N#Cc1cncc(S(=O)(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)c1 ZINC000562073901 566762538 /nfs/dbraw/zinc/76/25/38/566762538.db2.gz LOGLZIWZLJMXMB-UHFFFAOYSA-N 0 0 379.844 3.256 10 30 GGEERN COC1CCC(CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000427281928 566762965 /nfs/dbraw/zinc/76/29/65/566762965.db2.gz RNHBLZJQTRBFCH-UHFFFAOYSA-N 0 0 376.400 3.061 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCCCc2cccc(Br)c2)ccc1F ZINC000609419819 566763654 /nfs/dbraw/zinc/76/36/54/566763654.db2.gz WXXMNIUTXJKIBN-UHFFFAOYSA-N 0 0 397.269 3.371 10 30 GGEERN C[C@](O)(CNC(=O)COc1cccc(Br)c1C#N)C1CCCCC1 ZINC000451130446 566764560 /nfs/dbraw/zinc/76/45/60/566764560.db2.gz PJIBSECGTRGLER-SFHVURJKSA-N 0 0 395.297 3.147 10 30 GGEERN Cc1nsc(N2CCN(C(=O)Nc3cc(Cl)c(Cl)cn3)CC2)c1C#N ZINC000562086519 566764546 /nfs/dbraw/zinc/76/45/46/566764546.db2.gz UJFWSPWEKVZLPZ-UHFFFAOYSA-N 0 0 397.291 3.379 10 30 GGEERN Cc1ncc(S(=O)(=O)Nc2ccc(Br)c(C)c2F)cc1C#N ZINC000427295119 566764867 /nfs/dbraw/zinc/76/48/67/566764867.db2.gz IEAAYGGASHBKDF-UHFFFAOYSA-N 0 0 384.230 3.273 10 30 GGEERN Cc1ccc(F)c(NS(=O)(=O)c2cnc(C)c(C#N)c2)c1Br ZINC000427309996 566766462 /nfs/dbraw/zinc/76/64/62/566766462.db2.gz WZHVOSJBQQWWLY-UHFFFAOYSA-N 0 0 384.230 3.273 10 30 GGEERN Cc1cccc(CNS(=O)(=O)c2ccc(F)c(C#N)c2)c1Br ZINC000469165135 566767837 /nfs/dbraw/zinc/76/78/37/566767837.db2.gz XVRAHRFXGCCLLF-UHFFFAOYSA-N 0 0 383.242 3.247 10 30 GGEERN N#Cc1cccc(S(=O)(=O)CCN2CCc3c(Cl)cc(F)cc3C2)c1 ZINC000451168566 566769296 /nfs/dbraw/zinc/76/92/96/566769296.db2.gz XRJZNCCYYDBCRB-UHFFFAOYSA-N 0 0 378.856 3.183 10 30 GGEERN Cc1ccc(N2CCN(Cc3cc(Br)ccc3F)CC2)nc1C#N ZINC000542019370 566769322 /nfs/dbraw/zinc/76/93/22/566769322.db2.gz CSLYHFAHCDSHFK-UHFFFAOYSA-N 0 0 389.272 3.486 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NCc2cc(F)cc(Br)c2)cc1F ZINC000489095016 566769782 /nfs/dbraw/zinc/76/97/82/566769782.db2.gz ADCOBTZUPXAMGS-UHFFFAOYSA-N 0 0 387.205 3.077 10 30 GGEERN CSC[C@@H]1CCCN1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000542032743 566769954 /nfs/dbraw/zinc/76/99/54/566769954.db2.gz QTPCQWLKVVBWEG-AWEZNQCLSA-N 0 0 375.885 3.179 10 30 GGEERN Cc1cc(Br)ccc1CNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000609542505 566770004 /nfs/dbraw/zinc/77/00/04/566770004.db2.gz KEQHPIMKMRKWEG-UHFFFAOYSA-N 0 0 383.242 3.247 10 30 GGEERN CCSCC[C@H](C)NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000542028378 566770131 /nfs/dbraw/zinc/77/01/31/566770131.db2.gz QFMHJNDEUQLHOE-LBPRGKRZSA-N 0 0 377.901 3.472 10 30 GGEERN CC(C)CSCCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000542033193 566770718 /nfs/dbraw/zinc/77/07/18/566770718.db2.gz OLJNANFZUCUYTQ-UHFFFAOYSA-N 0 0 377.901 3.330 10 30 GGEERN C[S@@](=O)c1ccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc1 ZINC000609588719 566771213 /nfs/dbraw/zinc/77/12/13/566771213.db2.gz HBPRWCZTGTYWSN-OYHNWAKOSA-N 0 0 377.263 3.181 10 30 GGEERN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2occc2Br)n1 ZINC000542050456 566771744 /nfs/dbraw/zinc/77/17/44/566771744.db2.gz DYNUUOWVIZNWOH-UHFFFAOYSA-N 0 0 391.612 3.427 10 30 GGEERN N#Cc1cc(F)ccc1CS(=O)(=O)NCC1(Sc2ccccc2)CC1 ZINC000451192949 566774951 /nfs/dbraw/zinc/77/49/51/566774951.db2.gz LEDROGKYMAWGES-UHFFFAOYSA-N 0 0 376.478 3.442 10 30 GGEERN NS(=O)(=O)c1cccc(F)c1N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000631070409 566776117 /nfs/dbraw/zinc/77/61/17/566776117.db2.gz WXDNJHFOHMUUMJ-OCAPTIKFSA-N 0 0 394.312 3.040 10 30 GGEERN N#CC1(CS(=O)(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)CCC1 ZINC000581456842 566778691 /nfs/dbraw/zinc/77/86/91/566778691.db2.gz WDDRGMSVANYPLN-UHFFFAOYSA-N 0 0 380.897 3.258 10 30 GGEERN Cc1ncc(S(=O)(=O)N(C)[C@@H](C)c2ccccc2Br)cc1C#N ZINC000489294444 566779633 /nfs/dbraw/zinc/77/96/33/566779633.db2.gz LXVFOQZZFHFNTI-LBPRGKRZSA-N 0 0 394.294 3.406 10 30 GGEERN CN1C(=O)C[C@H](NC(=O)c2cscc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000489286638 566780337 /nfs/dbraw/zinc/78/03/37/566780337.db2.gz DODFXAMXBSJXIZ-HOCLYGCPSA-N 0 0 377.828 3.114 10 30 GGEERN Cc1ncc(S(=O)(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)cc1C#N ZINC000489426406 566789061 /nfs/dbraw/zinc/78/90/61/566789061.db2.gz NVGLRRDYUFMDRD-QGZVFWFLSA-N 0 0 393.921 3.394 10 30 GGEERN Cc1ncc(S(=O)(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)cc1C#N ZINC000489426403 566789148 /nfs/dbraw/zinc/78/91/48/566789148.db2.gz NVGLRRDYUFMDRD-KRWDZBQOSA-N 0 0 393.921 3.394 10 30 GGEERN C=CCCO[C@H](C)C(=O)N(CCOC)Cc1ccc(Br)s1 ZINC000427733190 566791487 /nfs/dbraw/zinc/79/14/87/566791487.db2.gz DZYUMJOZVBBRBQ-GFCCVEGCSA-N 0 0 376.316 3.467 10 30 GGEERN Cc1ncc(S(=O)(=O)N(C)c2nc3cccc(Cl)c3s2)cc1C#N ZINC000427746573 566792474 /nfs/dbraw/zinc/79/24/74/566792474.db2.gz QSMAMNWUMKFODV-UHFFFAOYSA-N 0 0 378.866 3.350 10 30 GGEERN N#C[C@@H](NC(=O)c1cccc(-n2cccn2)n1)c1ccc(Br)cc1 ZINC000609910583 566794689 /nfs/dbraw/zinc/79/46/89/566794689.db2.gz CMKWWSPYNUHACB-OAHLLOKOSA-N 0 0 382.221 3.024 10 30 GGEERN Cn1c(C#N)ccc1C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000451325248 566795609 /nfs/dbraw/zinc/79/56/09/566795609.db2.gz ZLIFLQNVMFLMRS-OAHLLOKOSA-N 0 0 387.281 3.376 10 30 GGEERN CCO[C@H](C)c1nc(CN(C)S(=O)(=O)c2ccc(C#N)c(F)c2)cs1 ZINC000489569754 566796411 /nfs/dbraw/zinc/79/64/11/566796411.db2.gz IRLANXKUQMXQBW-LLVKDONJSA-N 0 0 383.470 3.072 10 30 GGEERN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)COc1cccc(Br)c1C#N ZINC000451331497 566797640 /nfs/dbraw/zinc/79/76/40/566797640.db2.gz NXRNCDUMRAJPGK-KOLCDFICSA-N 0 0 391.187 3.499 10 30 GGEERN C=CCCn1cc(CNc2nc(C(F)(F)F)c(Br)s2)nn1 ZINC000631306738 566797925 /nfs/dbraw/zinc/79/79/25/566797925.db2.gz GUSYLRPDYJLMFI-UHFFFAOYSA-N 0 0 382.209 3.126 10 30 GGEERN CC[C@H]1CN(S(=O)(=O)c2cnc(C)c(C#N)c2)c2cccc(Cl)c2O1 ZINC000489627409 566799098 /nfs/dbraw/zinc/79/90/98/566799098.db2.gz HHEGLLZIMPGDLG-ZDUSSCGKSA-N 0 0 377.853 3.281 10 30 GGEERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000451337043 566799359 /nfs/dbraw/zinc/79/93/59/566799359.db2.gz WXEZPNFDKYLMRR-CABZTGNLSA-N 0 0 391.187 3.499 10 30 GGEERN COc1cc(CNc2ncnc3cc(F)c(Br)cc32)ccc1C#N ZINC000581698923 566799481 /nfs/dbraw/zinc/79/94/81/566799481.db2.gz CNDRBRZVABCZQU-UHFFFAOYSA-N 0 0 387.212 3.446 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCc1cc(-c2cnn(C)c2)no1 ZINC000469562192 566799731 /nfs/dbraw/zinc/79/97/31/566799731.db2.gz NKUBUQNTBBDHST-UHFFFAOYSA-N 0 0 389.209 3.297 10 30 GGEERN Cc1ccc(NC(=O)c2sccc2C#N)cc1S(=O)(=O)NC(C)(C)C ZINC000610048766 566800130 /nfs/dbraw/zinc/80/01/30/566800130.db2.gz QHYQETQFKJTVKR-UHFFFAOYSA-N 0 0 377.491 3.257 10 30 GGEERN C=CCCCS(=O)(=O)N[C@@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000489648915 566801184 /nfs/dbraw/zinc/80/11/84/566801184.db2.gz QSYHCAQNSGXRLO-NVXWUHKLSA-N 0 0 376.444 3.125 10 30 GGEERN C=CCNc1ncc(C(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)s1 ZINC000542458281 566801524 /nfs/dbraw/zinc/80/15/24/566801524.db2.gz IYEPCBIETMLMBH-LBPRGKRZSA-N 0 0 377.338 3.475 10 30 GGEERN N#C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(F)cc1 ZINC000610063519 566801743 /nfs/dbraw/zinc/80/17/43/566801743.db2.gz OFIMZKVSEMDMEW-CQSZACIVSA-N 0 0 378.157 3.491 10 30 GGEERN C=CCNc1ncc(C(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)s1 ZINC000542458280 566801780 /nfs/dbraw/zinc/80/17/80/566801780.db2.gz IYEPCBIETMLMBH-GFCCVEGCSA-N 0 0 377.338 3.475 10 30 GGEERN Cc1ncc(S(=O)(=O)N[C@@H]2CCCOc3c(Cl)cccc32)cc1C#N ZINC000489704947 566805056 /nfs/dbraw/zinc/80/50/56/566805056.db2.gz MCXYXSKRABFMQZ-MRXNPFEDSA-N 0 0 377.853 3.107 10 30 GGEERN N#C[C@@H](NC(=O)[C@@H]1Cc2cc(F)ccc2O1)c1ccc(Br)cc1 ZINC000610124559 566807451 /nfs/dbraw/zinc/80/74/51/566807451.db2.gz UKLQTHIPEJWJAQ-ZBFHGGJFSA-N 0 0 375.197 3.273 10 30 GGEERN C[C@@H](C#N)CN(C(=O)CCOc1cccc(I)c1)C1CC1 ZINC000469694261 566807608 /nfs/dbraw/zinc/80/76/08/566807608.db2.gz PEEYOPHTYNUQGX-LBPRGKRZSA-N 0 0 398.244 3.211 10 30 GGEERN Cc1ncc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)cc1C#N ZINC000489811698 566811579 /nfs/dbraw/zinc/81/15/79/566811579.db2.gz SDQADVCHGOGAAJ-GOEBONIOSA-N 0 0 382.272 3.403 10 30 GGEERN C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)Cc1cccc(Br)c1C ZINC000655582519 566816191 /nfs/dbraw/zinc/81/61/91/566816191.db2.gz XYDGDCYSQWABBP-BBRMVZONSA-N 0 0 388.327 3.158 10 30 GGEERN N#Cc1ccc(OCCNC(=O)C2=Cc3cc(Br)ccc3OC2)cc1 ZINC000610234944 566816928 /nfs/dbraw/zinc/81/69/28/566816928.db2.gz VRDKVKLABCKXSV-UHFFFAOYSA-N 0 0 399.244 3.292 10 30 GGEERN CCO[C@@H]1C[C@@H](Nc2cc(Br)c(C#N)cc2F)[C@@H]1n1cccn1 ZINC000581953854 566817070 /nfs/dbraw/zinc/81/70/70/566817070.db2.gz AMHDINHZKJOPTB-OAGGEKHMSA-N 0 0 379.233 3.487 10 30 GGEERN COc1ccc(S(=O)(=O)NCc2ccc(C#N)cc2F)c(Cl)c1Cl ZINC000610262986 566820625 /nfs/dbraw/zinc/82/06/25/566820625.db2.gz VJFFHFHHGBHIBL-UHFFFAOYSA-N 0 0 389.235 3.491 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(Br)c(C(=O)OC)c1C ZINC000469862260 566821809 /nfs/dbraw/zinc/82/18/09/566821809.db2.gz MVUVWCUMKSTFMS-IAQYHMDHSA-N 0 0 382.254 3.464 10 30 GGEERN C=CCn1c(-c2ccccc2Br)nnc1N(C)Cc1nc(C)no1 ZINC000655618154 566822912 /nfs/dbraw/zinc/82/29/12/566822912.db2.gz IYQSYLFRDPOOST-UHFFFAOYSA-N 0 0 389.257 3.221 10 30 GGEERN COc1cc(Br)ccc1CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000490020859 566825867 /nfs/dbraw/zinc/82/58/67/566825867.db2.gz NQQPHWJIZPZSKO-GFCCVEGCSA-N 0 0 389.249 3.413 10 30 GGEERN N#Cc1ncccc1S(=O)(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000428250987 566826488 /nfs/dbraw/zinc/82/64/88/566826488.db2.gz RXIUEWXKIPUHNW-GFCCVEGCSA-N 0 0 379.844 3.142 10 30 GGEERN Cc1cc(S(N)(=O)=O)sc1C(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000517456885 566827368 /nfs/dbraw/zinc/82/73/68/566827368.db2.gz BFMKDJIQPAGOGD-JTQLQIEISA-N 0 0 395.531 3.208 10 30 GGEERN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H]1CCCO1 ZINC000582193791 566838522 /nfs/dbraw/zinc/83/85/22/566838522.db2.gz CBCFXMNYGPENRS-ZDUSSCGKSA-N 0 0 380.290 3.227 10 30 GGEERN Cc1cc(C(=O)N[C@@]2(C#N)CCSC2)nn1-c1ccc(Br)cc1 ZINC000610572336 566843092 /nfs/dbraw/zinc/84/30/92/566843092.db2.gz JJWDKNFDLLMGQD-MRXNPFEDSA-N 0 0 391.294 3.072 10 30 GGEERN CC(C)(CCC#N)CNc1ncnc2cccc(I)c21 ZINC000582262526 566846133 /nfs/dbraw/zinc/84/61/33/566846133.db2.gz DDWQLEXSOQIVOS-UHFFFAOYSA-N 0 0 380.233 3.398 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NCCCC2CCOCC2)c(C(F)(F)F)c1 ZINC000451608585 566850393 /nfs/dbraw/zinc/85/03/93/566850393.db2.gz OBWNJEKNNZSUIG-UHFFFAOYSA-N 0 0 376.400 3.062 10 30 GGEERN COc1cc(CNC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1C#N ZINC000582391179 566856564 /nfs/dbraw/zinc/85/65/64/566856564.db2.gz RHEDPWHOONAQOF-UHFFFAOYSA-N 0 0 378.215 3.129 10 30 GGEERN C=CCOCCNC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000679485340 566859716 /nfs/dbraw/zinc/85/97/16/566859716.db2.gz LUADFYASUTXCLB-UHFFFAOYSA-N 0 0 379.201 3.052 10 30 GGEERN C=CCOCCNC(=O)c1cnn(-c2ccc(Br)cc2)c1CC ZINC000679516052 566860155 /nfs/dbraw/zinc/86/01/55/566860155.db2.gz RQOBXCWAMFPQOD-UHFFFAOYSA-N 0 0 378.270 3.130 10 30 GGEERN N#CCCCNC(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000543176913 566860185 /nfs/dbraw/zinc/86/01/85/566860185.db2.gz MPHYSBHYLUQFBU-CQSZACIVSA-N 0 0 383.233 3.441 10 30 GGEERN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000518039608 566861175 /nfs/dbraw/zinc/86/11/75/566861175.db2.gz TYNBDKMLHOXPMU-FZMZJTMJSA-N 0 0 377.535 3.385 10 30 GGEERN COc1cc(Br)ccc1CN1CCN(c2cnccc2C#N)CC1 ZINC000518051209 566862694 /nfs/dbraw/zinc/86/26/94/566862694.db2.gz UYHDZQCATSNSTD-UHFFFAOYSA-N 0 0 387.281 3.047 10 30 GGEERN C=CCOCCNC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000679563082 566862973 /nfs/dbraw/zinc/86/29/73/566862973.db2.gz ALIWEWCIYIHSIA-UHFFFAOYSA-N 0 0 393.285 3.212 10 30 GGEERN N#CCc1ccc(CNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)cc1 ZINC000563189558 566863414 /nfs/dbraw/zinc/86/34/14/566863414.db2.gz GUIADQGVFPFLRU-UHFFFAOYSA-N 0 0 397.272 3.432 10 30 GGEERN CC(C)[C@@H](C#N)NC(=O)c1cccn1-c1cccc(I)c1 ZINC000470346557 566866483 /nfs/dbraw/zinc/86/64/83/566866483.db2.gz QOADCFRTFTZSPD-CQSZACIVSA-N 0 0 393.228 3.360 10 30 GGEERN COC(=O)c1sc2ccccc2c1S(=O)(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000451731155 566870430 /nfs/dbraw/zinc/87/04/30/566870430.db2.gz CKKYIJNHMTUINU-RYUDHWBXSA-N 0 0 378.475 3.049 10 30 GGEERN N#CC[C@@H]1CC[C@H](NS(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000451738139 566872333 /nfs/dbraw/zinc/87/23/33/566872333.db2.gz SBSVYRIZAJRIIF-UWVGGRQHSA-N 0 0 377.691 3.463 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000470448302 566874036 /nfs/dbraw/zinc/87/40/36/566874036.db2.gz OCOXZOVVQGCZOX-USXIJHARSA-N 0 0 379.298 3.125 10 30 GGEERN O=S(=O)(C[C@@H]1CCC1(F)F)NCc1cc(F)c(C(F)(F)F)cc1F ZINC000632338098 566877055 /nfs/dbraw/zinc/87/70/55/566877055.db2.gz GZGNBQAEAGCXDW-QMMMGPOBSA-N 0 0 379.297 3.448 10 30 GGEERN O=S(=O)(NCc1c(F)c(F)cc(F)c1F)c1ccc(C(F)(F)F)nc1 ZINC000679851455 566878310 /nfs/dbraw/zinc/87/83/10/566878310.db2.gz PVWIOCLCKZCOLZ-UHFFFAOYSA-N 0 0 388.264 3.135 10 30 GGEERN N#Cc1cc(CN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)ccn1 ZINC000610991782 566879240 /nfs/dbraw/zinc/87/92/40/566879240.db2.gz JUZVAPQSHOXXQY-UHFFFAOYSA-N 0 0 375.259 3.218 10 30 GGEERN N#Cc1cc(CN2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)ccn1 ZINC000610991916 566879377 /nfs/dbraw/zinc/87/93/77/566879377.db2.gz WKQNBOFIIKFSPX-UHFFFAOYSA-N 0 0 375.259 3.218 10 30 GGEERN C=CCCn1cc(CS(=O)(=O)Cc2cccc(Br)c2C)nn1 ZINC000656175087 566879809 /nfs/dbraw/zinc/87/98/09/566879809.db2.gz HKZYVOGGTRYYGW-UHFFFAOYSA-N 0 0 384.299 3.040 10 30 GGEERN N#Cc1cc(Br)cc(S(=O)(=O)N2CC3CC2(C(F)(F)F)C3)c1 ZINC000563378166 566880178 /nfs/dbraw/zinc/88/01/78/566880178.db2.gz RNHRVOJSWJUDQZ-UHFFFAOYSA-N 0 0 395.200 3.036 10 30 GGEERN COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2cccc(C#N)c2)cc1Cl ZINC000611003020 566882792 /nfs/dbraw/zinc/88/27/92/566882792.db2.gz UQULCJBOLOGYIL-NSHDSACASA-N 0 0 378.837 3.038 10 30 GGEERN Cc1c(S(=O)(=O)N(C[C@@H](C)C#N)C2CC2)cnn1-c1ccc(Cl)cc1 ZINC000611083335 566886999 /nfs/dbraw/zinc/88/69/99/566886999.db2.gz PQLPHNIZHTVMGR-LBPRGKRZSA-N 0 0 378.885 3.147 10 30 GGEERN C[C@@H](C#N)CN(C(=O)c1cc(I)c(F)cc1F)C1CC1 ZINC000611088677 566887160 /nfs/dbraw/zinc/88/71/60/566887160.db2.gz JKWKUIKKRKQIAJ-QMMMGPOBSA-N 0 0 390.171 3.334 10 30 GGEERN Cc1c(S(=O)(=O)N(C[C@H](C)C#N)C2CC2)cnn1-c1ccc(Cl)cc1 ZINC000611083334 566887364 /nfs/dbraw/zinc/88/73/64/566887364.db2.gz PQLPHNIZHTVMGR-GFCCVEGCSA-N 0 0 378.885 3.147 10 30 GGEERN C=C(C)[C@H](CC(=O)Nc1cc(I)ccc1O)OCC ZINC000611130139 566890670 /nfs/dbraw/zinc/89/06/70/566890670.db2.gz WEAPELGXEFUUNK-ZDUSSCGKSA-N 0 0 375.206 3.307 10 30 GGEERN N#Cc1cc(C(=O)N[C@H](CO)c2cccc(Br)c2)ccc1Cl ZINC000543670181 566898336 /nfs/dbraw/zinc/89/83/36/566898336.db2.gz ZBRHORMQGAFICK-OAHLLOKOSA-N 0 0 379.641 3.438 10 30 GGEERN CC(C)(CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(F)(F)F ZINC000582857905 566900754 /nfs/dbraw/zinc/90/07/54/566900754.db2.gz LQCRPSQMLIBHES-UHFFFAOYSA-N 0 0 376.400 3.082 10 30 GGEERN N#CC1(Cn2cc(C(=O)c3ccc(Br)cc3F)nn2)CCCC1 ZINC000656466621 566902177 /nfs/dbraw/zinc/90/21/77/566902177.db2.gz GLMBXJLKQGOAFR-UHFFFAOYSA-N 0 0 377.217 3.495 10 30 GGEERN C=CCSCCNC(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000543745321 566907517 /nfs/dbraw/zinc/90/75/17/566907517.db2.gz AHAGQPWDDYFGOE-ZDUSSCGKSA-N 0 0 375.416 3.182 10 30 GGEERN N#Cc1ccc(C[C@H](C#N)C(=O)NCc2cc(F)cc(Br)c2)cc1 ZINC000470835364 566908081 /nfs/dbraw/zinc/90/80/81/566908081.db2.gz GOQNBEGNYSNVGF-OAHLLOKOSA-N 0 0 386.224 3.459 10 30 GGEERN N#Cc1c(N)n[nH]c1CCCNc1c(Br)cc(Cl)cc1C#N ZINC000429197690 566912534 /nfs/dbraw/zinc/91/25/34/566912534.db2.gz BECLPYQEKZRYKI-UHFFFAOYSA-N 0 0 379.649 3.026 10 30 GGEERN N#Cc1ccc(C[C@H](C#N)C(=O)NCCc2ccccc2Br)cc1 ZINC000470895499 566913071 /nfs/dbraw/zinc/91/30/71/566913071.db2.gz XDBDNTFNZQAWFU-QGZVFWFLSA-N 0 0 382.261 3.362 10 30 GGEERN N#Cc1cc(Cl)cc(Br)c1NCCNC(=O)c1cccnc1 ZINC000429211520 566915563 /nfs/dbraw/zinc/91/55/63/566915563.db2.gz XWNWASVIMMYGQM-UHFFFAOYSA-N 0 0 379.645 3.211 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@@H](c3ccccc3)O2)c(Cl)c1 ZINC000563783285 566915841 /nfs/dbraw/zinc/91/58/41/566915841.db2.gz DEFAMOPSEGBVCX-WBVHZDCISA-N 0 0 376.865 3.410 10 30 GGEERN COc1cc(CCNS(=O)(=O)Cc2ccc(CC#N)cc2)ccc1Cl ZINC000583080891 566919768 /nfs/dbraw/zinc/91/97/68/566919768.db2.gz ARLNCBVWIBPOKH-UHFFFAOYSA-N 0 0 378.881 3.077 10 30 GGEERN N#CC1(NC(=O)CCC(=O)c2ccc(I)cc2)CCCC1 ZINC000519110434 566921304 /nfs/dbraw/zinc/92/13/04/566921304.db2.gz CZMCPMCVXYNLJP-UHFFFAOYSA-N 0 0 396.228 3.207 10 30 GGEERN CC(C)(CO)[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000429313577 566922589 /nfs/dbraw/zinc/92/25/89/566922589.db2.gz BSPHEBRZIXBBGE-KRWDZBQOSA-N 0 0 378.881 3.250 10 30 GGEERN N#Cc1cc(CN2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)ccn1 ZINC000611530673 566924880 /nfs/dbraw/zinc/92/48/80/566924880.db2.gz MYGVGKWOZDDTOG-LJQANCHMSA-N 0 0 396.292 3.098 10 30 GGEERN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)Sc2cccc(Cl)c2C#N)C1 ZINC000543959428 566924920 /nfs/dbraw/zinc/92/49/20/566924920.db2.gz AQONZPWFEMSBLD-QWHCGFSZSA-N 0 0 380.897 3.494 10 30 GGEERN C=C(CC)CNS(=O)(=O)c1cc(Br)ccc1OCCOCC ZINC000452043738 566926074 /nfs/dbraw/zinc/92/60/74/566926074.db2.gz QHXSQCIJDZMBIQ-UHFFFAOYSA-N 0 0 392.315 3.109 10 30 GGEERN N#Cc1nc(N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)ccc1Cl ZINC000611617566 566932321 /nfs/dbraw/zinc/93/23/21/566932321.db2.gz MTSWCXRWHSHRHR-CQSZACIVSA-N 0 0 376.869 3.017 10 30 GGEERN N#Cc1cnc(N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c(Cl)c1 ZINC000611617502 566932665 /nfs/dbraw/zinc/93/26/65/566932665.db2.gz CXSSVDQCRCJCQQ-OAHLLOKOSA-N 0 0 376.869 3.017 10 30 GGEERN CS(=O)(=O)N(Cc1ccc(CC#N)cc1)c1cccc(Br)c1 ZINC000544081101 566936248 /nfs/dbraw/zinc/93/62/48/566936248.db2.gz DAACNUHOZXUAAP-UHFFFAOYSA-N 0 0 379.279 3.481 10 30 GGEERN CC(C)(COCC(F)F)C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000471230176 566938231 /nfs/dbraw/zinc/93/82/31/566938231.db2.gz MEMDLHFAZMMPOF-GFCCVEGCSA-N 0 0 375.213 3.438 10 30 GGEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1cc(Br)ccn1 ZINC000452138992 566940830 /nfs/dbraw/zinc/94/08/30/566940830.db2.gz LSLYOQJFJLWULR-KRWDZBQOSA-N 0 0 388.265 3.436 10 30 GGEERN CSC[C@@](C)(C#N)NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000519470214 566941231 /nfs/dbraw/zinc/94/12/31/566941231.db2.gz VSYYOFZCQWWPMA-MRXNPFEDSA-N 0 0 393.310 3.318 10 30 GGEERN CC[C@H](CSC)N(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000611842087 566941429 /nfs/dbraw/zinc/94/14/29/566941429.db2.gz XRBIWSVZEHVDIG-CQSZACIVSA-N 0 0 377.901 3.425 10 30 GGEERN Cc1c(Cl)cccc1S(=O)(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC000564089095 566943479 /nfs/dbraw/zinc/94/34/79/566943479.db2.gz UFTXQPGNRRJFJK-UHFFFAOYSA-N 0 0 378.881 3.357 10 30 GGEERN C=C1CC(C)(C(=O)NC[C@H](CO)Cc2ccc(OC)c(Br)c2)C1 ZINC000633339003 566952002 /nfs/dbraw/zinc/95/20/02/566952002.db2.gz VNTNKCYLDOFZBI-CQSZACIVSA-N 0 0 382.298 3.081 10 30 GGEERN CCS(=O)(=O)N(C)CCCNc1c(Br)cc(Cl)cc1C#N ZINC000519727059 566961669 /nfs/dbraw/zinc/96/16/69/566961669.db2.gz OIYOYCJAMOBNNS-UHFFFAOYSA-N 0 0 394.722 3.058 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1cnc2c(Br)cccn12 ZINC000519710820 566962259 /nfs/dbraw/zinc/96/22/59/566962259.db2.gz WZVNVKMXXXTMKL-SMDDNHRTSA-N 0 0 379.258 3.200 10 30 GGEERN COC(=O)c1cc(NC(=O)N2CCC[C@@](C)(C#N)C2)ccc1Br ZINC000612322268 566965550 /nfs/dbraw/zinc/96/55/50/566965550.db2.gz MVWLEKBSAMMFRL-INIZCTEOSA-N 0 0 380.242 3.393 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC)Cc1ccccc1Br ZINC000612355568 566967305 /nfs/dbraw/zinc/96/73/05/566967305.db2.gz JQSZVTXFOYUNMV-RDJZCZTQSA-N 0 0 381.314 3.357 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000612372910 566968406 /nfs/dbraw/zinc/96/84/06/566968406.db2.gz SUKJJEVOAJFFFZ-RHSMWYFYSA-N 0 0 385.291 3.444 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000583627509 566968523 /nfs/dbraw/zinc/96/85/23/566968523.db2.gz GAVHJWKJVUJODR-RCBQFDQVSA-N 0 0 380.286 3.282 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000612372913 566969529 /nfs/dbraw/zinc/96/95/29/566969529.db2.gz SUKJJEVOAJFFFZ-YOEHRIQHSA-N 0 0 385.291 3.444 10 30 GGEERN N#CCC1(CNS(=O)(=O)Cc2ccc(Cl)cc2Br)CC1 ZINC000429977226 566972685 /nfs/dbraw/zinc/97/26/85/566972685.db2.gz AAIZJOOVIZYDGY-UHFFFAOYSA-N 0 0 377.691 3.216 10 30 GGEERN N#CCC1(CNS(=O)(=O)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000429979825 566973109 /nfs/dbraw/zinc/97/31/09/566973109.db2.gz LGYCZFJPJVQVPM-UHFFFAOYSA-N 0 0 397.216 3.440 10 30 GGEERN N#Cc1cc(F)c(NCCC2CCS(=O)(=O)CC2)cc1Br ZINC000583703609 566973962 /nfs/dbraw/zinc/97/39/62/566973962.db2.gz COCDXGBLEDUWRZ-UHFFFAOYSA-N 0 0 375.263 3.087 10 30 GGEERN N#Cc1cc(Br)cc(S(=O)(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000430005592 566974205 /nfs/dbraw/zinc/97/42/05/566974205.db2.gz VULWJMYXNMTSEY-CVEARBPZSA-N 0 0 377.263 3.155 10 30 GGEERN N#Cc1ccnc(C(=O)NCc2cc(Br)ccc2OC(F)F)c1 ZINC000583759249 566979340 /nfs/dbraw/zinc/97/93/40/566979340.db2.gz UENUGELHPVEDKG-UHFFFAOYSA-N 0 0 382.164 3.247 10 30 GGEERN C=CCN(CCc1ccccc1)C(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000520105544 566984109 /nfs/dbraw/zinc/98/41/09/566984109.db2.gz YWGQYRUWXBVZEG-UHFFFAOYSA-N 0 0 377.893 3.371 10 30 GGEERN O=C(Nc1nnc(C(F)(F)C(F)(F)F)s1)c1ccnc(OC(F)F)c1 ZINC000633731228 566985767 /nfs/dbraw/zinc/98/57/67/566985767.db2.gz KWWPGJYHCNCWCF-UHFFFAOYSA-N 0 0 390.240 3.441 10 30 GGEERN N#CC1(CS(=O)(=O)NCCCc2cccc(Br)c2)CCCC1 ZINC000612674723 566986638 /nfs/dbraw/zinc/98/66/38/566986638.db2.gz RHZTUHRURYMGCI-UHFFFAOYSA-N 0 0 385.327 3.385 10 30 GGEERN N#CC1(CS(=O)(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)CCCC1 ZINC000612671258 566987078 /nfs/dbraw/zinc/98/70/78/566987078.db2.gz VLRSSCCYICQIDH-OAHLLOKOSA-N 0 0 381.929 3.170 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)CCCC1 ZINC000544721537 566987264 /nfs/dbraw/zinc/98/72/64/566987264.db2.gz MAPGPMPPSFLTQG-HUUCEWRRSA-N 0 0 383.311 3.308 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000430133170 566987703 /nfs/dbraw/zinc/98/77/03/566987703.db2.gz PEBZHSSHUHPKSW-MRXNPFEDSA-N 0 0 387.277 3.210 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000430133261 566987920 /nfs/dbraw/zinc/98/79/20/566987920.db2.gz YKFMWPOEJNWGOL-MRXNPFEDSA-N 0 0 387.277 3.210 10 30 GGEERN CC(C)C[C@H](C#N)NC(=O)c1ncc(Br)cc1Br ZINC000612691947 566989504 /nfs/dbraw/zinc/98/95/04/566989504.db2.gz OFJMBJRMMNIRTA-SECBINFHSA-N 0 0 375.064 3.275 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C1 ZINC000452563518 566991894 /nfs/dbraw/zinc/99/18/94/566991894.db2.gz UHONMZWUJPOHOQ-YDHLFZDLSA-N 0 0 390.281 3.001 10 30 GGEERN Cc1c(I)cn(C[C@H](C)c2ccccc2)c(=O)c1C#N ZINC000564613668 566992453 /nfs/dbraw/zinc/99/24/53/566992453.db2.gz VQKWCGVBGYCGHL-NSHDSACASA-N 0 0 378.213 3.437 10 30 GGEERN Cc1c(I)cn(C[C@@H](C)c2ccccc2)c(=O)c1C#N ZINC000564613667 566992922 /nfs/dbraw/zinc/99/29/22/566992922.db2.gz VQKWCGVBGYCGHL-LLVKDONJSA-N 0 0 378.213 3.437 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000430179469 566996799 /nfs/dbraw/zinc/99/67/99/566996799.db2.gz QUPOWZAORNJYRU-HNNXBMFYSA-N 0 0 387.277 3.210 10 30 GGEERN N#Cc1cccc(N2CCN(C(=O)c3cc(F)c(Cl)cc3Cl)CC2)n1 ZINC000544835243 566999116 /nfs/dbraw/zinc/99/91/16/566999116.db2.gz FEOGNFNJXAFKFY-UHFFFAOYSA-N 0 0 379.222 3.362 10 30 GGEERN C=CCCOCC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000633847631 566999612 /nfs/dbraw/zinc/99/96/12/566999612.db2.gz RDSBQEYLWRGDTA-UHFFFAOYSA-N 0 0 380.282 3.437 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(Br)c(OC)cc1OC ZINC000583990855 567001192 /nfs/dbraw/zinc/00/11/92/567001192.db2.gz VXAPOHKDZDKVRD-GWCFXTLKSA-N 0 0 385.258 3.179 10 30 GGEERN Cn1cc(C#N)cc1-c1nc(-c2cccc(I)c2)no1 ZINC000612888656 567003335 /nfs/dbraw/zinc/00/33/35/567003335.db2.gz LXDWIDAFPUKNBC-UHFFFAOYSA-N 0 0 376.157 3.218 10 30 GGEERN C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000657036565 567004785 /nfs/dbraw/zinc/00/47/85/567004785.db2.gz JTMKUCGEXHXIFF-GOEBONIOSA-N 0 0 382.551 3.066 10 30 GGEERN CC(C)N(CCC#N)C(=O)c1ncc(Br)cc1Br ZINC000545378684 567045494 /nfs/dbraw/zinc/04/54/94/567045494.db2.gz STQVTILSKKPCHG-UHFFFAOYSA-N 0 0 375.064 3.371 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)Cc1cc(Br)ccc1F ZINC000612988525 567009146 /nfs/dbraw/zinc/00/91/46/567009146.db2.gz PZOGYCVPIWMXHW-BDJLRTHQSA-N 0 0 385.277 3.106 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)Cc1cc(Br)ccc1F ZINC000612988539 567009534 /nfs/dbraw/zinc/00/95/34/567009534.db2.gz PZOGYCVPIWMXHW-MEDUHNTESA-N 0 0 385.277 3.106 10 30 GGEERN CCn1c(CNCc2nc(C#N)cs2)nc2cc(Br)ccc21 ZINC000584085545 567010493 /nfs/dbraw/zinc/01/04/93/567010493.db2.gz NXLHULMEBVHCDG-UHFFFAOYSA-N 0 0 376.283 3.437 10 30 GGEERN C=CCCOCCNC(=O)Cc1ccc(Br)c(Br)c1 ZINC000613018343 567010729 /nfs/dbraw/zinc/01/07/29/567010729.db2.gz WJRQBGUOOPISLB-UHFFFAOYSA-N 0 0 391.103 3.463 10 30 GGEERN C=CCN([C@@H](C)COC)S(=O)(=O)c1c(Cl)cccc1Br ZINC000657073614 567010828 /nfs/dbraw/zinc/01/08/28/567010828.db2.gz OZZLSPSIGBJYES-JTQLQIEISA-N 0 0 382.707 3.314 10 30 GGEERN N#C[C@@H](NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 ZINC000520512202 567010859 /nfs/dbraw/zinc/01/08/59/567010859.db2.gz YMDYMKARZVTGTP-OAHLLOKOSA-N 0 0 380.206 3.243 10 30 GGEERN C=CCN([C@H](C)COC)S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000657074160 567011305 /nfs/dbraw/zinc/01/13/05/567011305.db2.gz WYFGKVWOHRSJOW-GFCCVEGCSA-N 0 0 399.310 3.209 10 30 GGEERN CC1(C#N)CCN(c2ncnc3cccc(I)c32)CC1 ZINC000613049141 567012095 /nfs/dbraw/zinc/01/20/95/567012095.db2.gz TXLSKUZVAIVTHK-UHFFFAOYSA-N 0 0 378.217 3.364 10 30 GGEERN C[C@H](C#N)CN(C1CC1)S(=O)(=O)c1cccc(Br)c1Cl ZINC000584128368 567013521 /nfs/dbraw/zinc/01/35/21/567013521.db2.gz RLJJFGARYYSWOL-SECBINFHSA-N 0 0 377.691 3.415 10 30 GGEERN CC(=O)N(C)c1ccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc1 ZINC000494618534 567013570 /nfs/dbraw/zinc/01/35/70/567013570.db2.gz FGSNDWLHZAJDDH-KRWDZBQOSA-N 0 0 386.249 3.426 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(Br)sc1Cl ZINC000564877789 567016449 /nfs/dbraw/zinc/01/64/49/567016449.db2.gz NBBDTRNMGMLBEL-YUMQZZPRSA-N 0 0 386.720 3.033 10 30 GGEERN Cc1nc([C@](C)(NC(=O)Nc2ccc(C#N)c(Br)c2)C2CC2)no1 ZINC000584156213 567017237 /nfs/dbraw/zinc/01/72/37/567017237.db2.gz YPTGHXBSHFZUCW-MRXNPFEDSA-N 0 0 390.241 3.459 10 30 GGEERN COC[C@H](NS(=O)(=O)Cc1ccc(CC#N)cc1)c1cccc(Cl)c1 ZINC000564908830 567019173 /nfs/dbraw/zinc/01/91/73/567019173.db2.gz UDSVEOYHGDDKMA-SFHVURJKSA-N 0 0 378.881 3.213 10 30 GGEERN COCCN(CCF)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000657116172 567019420 /nfs/dbraw/zinc/01/94/20/567019420.db2.gz BLOONOCTHGBJOY-UHFFFAOYSA-N 0 0 397.312 3.331 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc2cc(Br)ccc2n1CC ZINC000613196949 567019777 /nfs/dbraw/zinc/01/97/77/567019777.db2.gz XJSDIADWMNHLQV-CQSZACIVSA-N 0 0 393.285 3.228 10 30 GGEERN CC(C)[C@H]1C[C@H](CNC(=O)COc2ccc(C#N)c(Br)c2)CCO1 ZINC000452831638 567020935 /nfs/dbraw/zinc/02/09/35/567020935.db2.gz XIXCSJFYPVADRM-CXAGYDPISA-N 0 0 395.297 3.267 10 30 GGEERN CC(C)[C@H]1C[C@@H](CNC(=O)COc2cccc(Br)c2C#N)CCO1 ZINC000452823884 567021264 /nfs/dbraw/zinc/02/12/64/567021264.db2.gz RGLVLOWDAPBCLV-SUMWQHHRSA-N 0 0 395.297 3.267 10 30 GGEERN C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(Br)cc3)cc2C1=O ZINC000520742549 567021804 /nfs/dbraw/zinc/02/18/04/567021804.db2.gz YXRYPTJYGIAFLH-UHFFFAOYSA-N 0 0 399.244 3.161 10 30 GGEERN N#Cc1c(Br)cccc1N1CCN(Cc2nccn2C(F)F)CC1 ZINC000584204462 567022068 /nfs/dbraw/zinc/02/20/68/567022068.db2.gz MAPXRVXIRYVTAM-UHFFFAOYSA-N 0 0 396.239 3.235 10 30 GGEERN Cc1cc(C(=O)N(CCC#N)CCC#N)nn1-c1ccc(Br)cc1 ZINC000430604728 567024401 /nfs/dbraw/zinc/02/44/01/567024401.db2.gz QRPODLNNQOXHLZ-UHFFFAOYSA-N 0 0 386.253 3.213 10 30 GGEERN CN(C[C@H](O)C(F)(F)F)C(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000613249733 567024379 /nfs/dbraw/zinc/02/43/79/567024379.db2.gz OZHQIQFDXQBRKW-VKHMYHEASA-N 0 0 398.072 3.001 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000613247204 567024550 /nfs/dbraw/zinc/02/45/50/567024550.db2.gz MSXUPDCPTUBMAM-ZLIFDBKOSA-N 0 0 397.313 3.112 10 30 GGEERN C=CCOCCCNS(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000657148935 567025802 /nfs/dbraw/zinc/02/58/02/567025802.db2.gz HKWVBDJEDHMSCJ-UHFFFAOYSA-N 0 0 382.707 3.115 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCc2cc(Br)cc(C)c2C1 ZINC000613258333 567025898 /nfs/dbraw/zinc/02/58/98/567025898.db2.gz SBNTXXFTNKZCEU-KRWDZBQOSA-N 0 0 379.298 3.113 10 30 GGEERN O=C(c1cc(F)c(C(F)(F)F)c(F)c1)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000634233153 567026305 /nfs/dbraw/zinc/02/63/05/567026305.db2.gz BEQVZVUQTWYHSX-JGVFFNPUSA-N 0 0 377.231 3.226 10 30 GGEERN N#Cc1ccccc1CSCCNc1cc(Br)cnc1C(N)=O ZINC000472485272 567028674 /nfs/dbraw/zinc/02/86/74/567028674.db2.gz FWRMDYXZWFBHSX-UHFFFAOYSA-N 0 0 391.294 3.160 10 30 GGEERN C=C(C)Cn1c(COCCOC)nnc1N1CCc2sc(Cl)cc2C1 ZINC000634384905 567032374 /nfs/dbraw/zinc/03/23/74/567032374.db2.gz KQJOQOYWIXSVMM-UHFFFAOYSA-N 0 0 382.917 3.295 10 30 GGEERN C=C(C)Cn1c([C@H]2CCCS2)nnc1N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000634374926 567032500 /nfs/dbraw/zinc/03/25/00/567032500.db2.gz HQVMXWXDSMCQNW-YNEHKIRRSA-N 0 0 376.448 3.029 10 30 GGEERN N#Cc1c(Br)cccc1OCC(=O)N1CC2CC1(C(F)(F)F)C2 ZINC000520991365 567034560 /nfs/dbraw/zinc/03/45/60/567034560.db2.gz SPLCSTJAFMCUSL-UHFFFAOYSA-N 0 0 389.171 3.253 10 30 GGEERN C=C(C)C[C@H](C)C(=O)N1Cc2cccc(Br)c2C[C@H]1C(=O)OC ZINC000452961348 567037169 /nfs/dbraw/zinc/03/71/69/567037169.db2.gz UHKYGQZNWJGHTA-LRDDRELGSA-N 0 0 380.282 3.478 10 30 GGEERN N#Cc1cccc(CNC(=O)N(CCO)Cc2cc(Br)cs2)c1 ZINC000494975703 567037236 /nfs/dbraw/zinc/03/72/36/567037236.db2.gz KIDMXZICXYFXSU-UHFFFAOYSA-N 0 0 394.294 3.086 10 30 GGEERN C=CCn1c(C)nnc1SCC(=O)COc1ccc(Br)cc1 ZINC000657230335 567038622 /nfs/dbraw/zinc/03/86/22/567038622.db2.gz RDEJJMRODOMXBA-UHFFFAOYSA-N 0 0 382.283 3.275 10 30 GGEERN COc1cc(Br)ccc1CCCNC(=O)NCC1(CC#N)CC1 ZINC000430887698 567039206 /nfs/dbraw/zinc/03/92/06/567039206.db2.gz GISRPFTYRUORBE-UHFFFAOYSA-N 0 0 380.286 3.383 10 30 GGEERN Cc1nnc(SCC(=O)COc2ccc(Br)cc2)c(C#N)c1C ZINC000657243158 567041366 /nfs/dbraw/zinc/04/13/66/567041366.db2.gz XKXPLLZNKRCQRG-UHFFFAOYSA-N 0 0 392.278 3.468 10 30 GGEERN O=C(NCC#Cc1ccccc1)c1ncc(Br)cc1Br ZINC000545357621 567043126 /nfs/dbraw/zinc/04/31/26/567043126.db2.gz UNIVDPPUBRSZOQ-UHFFFAOYSA-N 0 0 394.066 3.388 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)CCCC1 ZINC000545362525 567043523 /nfs/dbraw/zinc/04/35/23/567043523.db2.gz OWWXZZMBSJWTGO-ZDUSSCGKSA-N 0 0 385.892 3.061 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000613570946 567046316 /nfs/dbraw/zinc/04/63/16/567046316.db2.gz KCIMXXFLZXABGV-INIZCTEOSA-N 0 0 384.307 3.113 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000613614631 567048099 /nfs/dbraw/zinc/04/80/99/567048099.db2.gz AAOYGSJTDIUVCB-LBPRGKRZSA-N 0 0 382.848 3.407 10 30 GGEERN COC(=O)[C@H](CF)NCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000584534405 567050575 /nfs/dbraw/zinc/05/05/75/567050575.db2.gz OPZXXFDATYDANF-CMPLNLGQSA-N 0 0 377.256 3.159 10 30 GGEERN O=C(c1cnn(CC(F)(F)F)c1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000682502258 567051502 /nfs/dbraw/zinc/05/15/02/567051502.db2.gz HZLZLDWMQPRAPB-UHFFFAOYSA-N 0 0 383.214 3.402 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCc2c(Br)cc(C)cc2C1 ZINC000613670577 567053083 /nfs/dbraw/zinc/05/30/83/567053083.db2.gz PQXMCJDBOPZHQC-KRWDZBQOSA-N 0 0 379.298 3.113 10 30 GGEERN N#CCC1(CNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)CC1 ZINC000431094469 567054103 /nfs/dbraw/zinc/05/41/03/567054103.db2.gz BMTXIVWHLIDYAT-UHFFFAOYSA-N 0 0 380.897 3.237 10 30 GGEERN CCn1cc(Br)c(=O)c(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c1 ZINC000565291002 567054304 /nfs/dbraw/zinc/05/43/04/567054304.db2.gz ZUACBZJCYFBLEU-UONOGXRCSA-N 0 0 386.249 3.245 10 30 GGEERN N#Cc1cccc(N2CCN(Cc3cc(F)cc(Br)c3)CC2)n1 ZINC000545506555 567058083 /nfs/dbraw/zinc/05/80/83/567058083.db2.gz MNDLADJQJUZZEB-UHFFFAOYSA-N 0 0 375.245 3.177 10 30 GGEERN C=C(C)CN(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000682593183 567062037 /nfs/dbraw/zinc/06/20/37/567062037.db2.gz XFPOXZBKLGRVAC-UHFFFAOYSA-N 0 0 379.176 3.441 10 30 GGEERN N#CCC1(CNC(=O)C2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000431176429 567062306 /nfs/dbraw/zinc/06/23/06/567062306.db2.gz CFBOYTPQNXHVPX-UHFFFAOYSA-N 0 0 377.282 3.307 10 30 GGEERN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](CO)c1ccsc1 ZINC000473166620 567065077 /nfs/dbraw/zinc/06/50/77/567065077.db2.gz IJWAVQPLAKRIRL-BBRMVZONSA-N 0 0 375.519 3.404 10 30 GGEERN N#CCCCS(=O)(=O)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000584733553 567064979 /nfs/dbraw/zinc/06/49/79/567064979.db2.gz IKYKTWCEWRXLPU-UHFFFAOYSA-N 0 0 376.400 3.398 10 30 GGEERN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](CO)c1ccsc1 ZINC000473153179 567065221 /nfs/dbraw/zinc/06/52/21/567065221.db2.gz UCQZLJJJUXQQDK-CJNGLKHVSA-N 0 0 375.519 3.262 10 30 GGEERN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](CO)c1ccsc1 ZINC000473166624 567065526 /nfs/dbraw/zinc/06/55/26/567065526.db2.gz IJWAVQPLAKRIRL-CJNGLKHVSA-N 0 0 375.519 3.404 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)c1ccc(Br)cc1OC ZINC000613866038 567067225 /nfs/dbraw/zinc/06/72/25/567067225.db2.gz KLMLMUGVWRLCQC-ABAIWWIYSA-N 0 0 383.286 3.106 10 30 GGEERN Cc1nc(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)ccc1C#N ZINC000431265835 567069953 /nfs/dbraw/zinc/06/99/53/567069953.db2.gz XVKYCBFXHFEJDM-UHFFFAOYSA-N 0 0 375.182 3.493 10 30 GGEERN C=CCOc1c(Br)cc(CN[C@@H]2C[C@H](C)n3ncnc32)cc1OC ZINC000657567077 567071343 /nfs/dbraw/zinc/07/13/43/567071343.db2.gz IJOJXBUIZPSYFE-SMDDNHRTSA-N 0 0 393.285 3.410 10 30 GGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cnn2c1CCCC2 ZINC000635114118 567081397 /nfs/dbraw/zinc/08/13/97/567081397.db2.gz ZGSGBSOCHRFEJS-UHFFFAOYSA-N 0 0 378.885 3.088 10 30 GGEERN C[C@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1ncc(Br)cn1 ZINC000431482232 567084701 /nfs/dbraw/zinc/08/47/01/567084701.db2.gz JOLXVRWTFWFGLS-VIFPVBQESA-N 0 0 399.208 3.162 10 30 GGEERN C=CCn1c(N(C)Cc2ccc(Br)o2)nnc1[C@]1(C)CCCO1 ZINC000453433883 567088407 /nfs/dbraw/zinc/08/84/07/567088407.db2.gz DSZSRYOLHUMQEK-INIZCTEOSA-N 0 0 381.274 3.482 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000614150192 567089474 /nfs/dbraw/zinc/08/94/74/567089474.db2.gz JEGXOZZHNXGSHU-ZIAGYGMSSA-N 0 0 383.311 3.183 10 30 GGEERN Cc1cc(Br)c(CN2CCN(c3ncccc3C#N)CC2)s1 ZINC000453566438 567091271 /nfs/dbraw/zinc/09/12/71/567091271.db2.gz RVXIYMAMDMOCCO-UHFFFAOYSA-N 0 0 377.311 3.408 10 30 GGEERN N#C[C@@H](NC(=O)c1cnc(OCC2CC2)cn1)c1ccccc1Br ZINC000586780491 567096272 /nfs/dbraw/zinc/09/62/72/567096272.db2.gz RBSIFYWENPSNPD-CQSZACIVSA-N 0 0 387.237 3.023 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000614245681 567096279 /nfs/dbraw/zinc/09/62/79/567096279.db2.gz RAEVBQCZFQYTLB-CYBMUJFWSA-N 0 0 382.848 3.407 10 30 GGEERN N#C[C@H](NC(=O)c1ccc(-c2nc[nH]n2)cc1)c1ccc(Br)cc1 ZINC000473675833 567096974 /nfs/dbraw/zinc/09/69/74/567096974.db2.gz NKKBOZKXMMHBSU-HNNXBMFYSA-N 0 0 382.221 3.229 10 30 GGEERN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000614248175 567098449 /nfs/dbraw/zinc/09/84/49/567098449.db2.gz ROANYYXCQLVSCB-NWDGAFQWSA-N 0 0 385.247 3.048 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@H]2CCc3c2cccc3Br)CCCC1 ZINC000546070102 567102195 /nfs/dbraw/zinc/10/21/95/567102195.db2.gz VSBDNQAOGLDBNK-HNNXBMFYSA-N 0 0 383.311 3.440 10 30 GGEERN CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000586864838 567102462 /nfs/dbraw/zinc/10/24/62/567102462.db2.gz JLZGHXAUPFHJKW-UHFFFAOYSA-N 0 0 379.844 3.077 10 30 GGEERN CCCCS[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000522204600 567105723 /nfs/dbraw/zinc/10/57/23/567105723.db2.gz DTLIWSCXXCIMRU-CJNGLKHVSA-N 0 0 377.535 3.320 10 30 GGEERN N#Cc1cc(Cl)cc(Br)c1N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000587862104 567106245 /nfs/dbraw/zinc/10/62/45/567106245.db2.gz IADLAPPRYGGHPZ-LSDHHAIUSA-N 0 0 384.705 3.010 10 30 GGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCc1ccc(OC)cc1Br ZINC000614373040 567106889 /nfs/dbraw/zinc/10/68/89/567106889.db2.gz OCXWKBWCUWPQPR-RDTXWAMCSA-N 0 0 382.298 3.488 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000614372271 567107420 /nfs/dbraw/zinc/10/74/20/567107420.db2.gz HRMSMFIRLYIJTK-DXEWXGHRSA-N 0 0 395.297 3.019 10 30 GGEERN C[C@H](C#N)CN(C(=O)C(=O)Nc1cc(Cl)cc(Br)c1)C1CC1 ZINC000453743413 567108286 /nfs/dbraw/zinc/10/82/86/567108286.db2.gz JHABKRKMLRVNRP-SECBINFHSA-N 0 0 384.661 3.192 10 30 GGEERN Cc1nccnc1N1CCN(c2c(Br)cc(Cl)cc2C#N)CC1 ZINC000588041343 567110548 /nfs/dbraw/zinc/11/05/48/567110548.db2.gz UDAMCAZORVAURL-UHFFFAOYSA-N 0 0 392.688 3.399 10 30 GGEERN C[C@]1(c2ccccc2)NC(=O)N(Cc2ccc(Br)cc2C#N)C1=O ZINC000588093953 567113385 /nfs/dbraw/zinc/11/33/85/567113385.db2.gz JFUMDGBTZWWAPW-GOSISDBHSA-N 0 0 384.233 3.288 10 30 GGEERN CC1(C)CN(S(=O)(=O)c2ccc(C#N)o2)c2ccc(Br)cc21 ZINC000588133655 567117462 /nfs/dbraw/zinc/11/74/62/567117462.db2.gz PJXKEEJEQSCDGL-UHFFFAOYSA-N 0 0 381.251 3.400 10 30 GGEERN COc1ccc(Br)c(CN2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000546259742 567119629 /nfs/dbraw/zinc/11/96/29/567119629.db2.gz IAUQUAZNIASIMG-UHFFFAOYSA-N 0 0 387.281 3.047 10 30 GGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(Br)c(C)n1 ZINC000658135826 567123671 /nfs/dbraw/zinc/12/36/71/567123671.db2.gz BBTBFUXASUAUBS-JSGCOSHPSA-N 0 0 380.286 3.342 10 30 GGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(Br)c(C)n1 ZINC000658135831 567124147 /nfs/dbraw/zinc/12/41/47/567124147.db2.gz BBTBFUXASUAUBS-TZMCWYRMSA-N 0 0 380.286 3.342 10 30 GGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc(C)c(Br)cn1 ZINC000658138340 567124603 /nfs/dbraw/zinc/12/46/03/567124603.db2.gz JFPNVLZBVGSCQP-TZMCWYRMSA-N 0 0 380.286 3.342 10 30 GGEERN N#Cc1cscc1C(=O)N1CCN(CCOc2ccccc2Cl)CC1 ZINC000432045661 567127814 /nfs/dbraw/zinc/12/78/14/567127814.db2.gz FIJJDQBKJILRKR-UHFFFAOYSA-N 0 0 375.881 3.110 10 30 GGEERN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000497859614 567128982 /nfs/dbraw/zinc/12/89/82/567128982.db2.gz IGTVYBQPCHRLCX-UHFFFAOYSA-N 0 0 397.204 3.058 10 30 GGEERN C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cscn1 ZINC000566164318 567132007 /nfs/dbraw/zinc/13/20/07/567132007.db2.gz RCRFJDSLGGPBQR-SNVBAGLBSA-N 0 0 375.397 3.265 10 30 GGEERN CC(C)(C)c1nc(CCNS(=O)(=O)c2ccc(Cl)c(C#N)c2)cs1 ZINC000497954190 567135562 /nfs/dbraw/zinc/13/55/62/567135562.db2.gz UWMQPRDOLPDOCX-UHFFFAOYSA-N 0 0 383.926 3.487 10 30 GGEERN Cc1ccccc1C(=O)NCC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC000474151744 567140424 /nfs/dbraw/zinc/14/04/24/567140424.db2.gz GSDCIFOOFDYGST-OAHLLOKOSA-N 0 0 376.243 3.413 10 30 GGEERN N#Cc1ccc(CNC(=O)c2cnc3ncc(Br)cc3c2)c(F)c1 ZINC000614828168 567141918 /nfs/dbraw/zinc/14/19/18/567141918.db2.gz CBNCIEFUHDHAGK-UHFFFAOYSA-N 0 0 385.196 3.333 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCc3c2c(F)ccc3F)cc1Br ZINC000432258404 567142865 /nfs/dbraw/zinc/14/28/65/567142865.db2.gz NNXMKAYHFDECEK-UHFFFAOYSA-N 0 0 399.216 3.350 10 30 GGEERN N#Cc1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2F)c(F)c1 ZINC000614839288 567143097 /nfs/dbraw/zinc/14/30/97/567143097.db2.gz SYJZBDJPBBCZEU-UHFFFAOYSA-N 0 0 376.306 3.334 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NCCc2cccc(C(F)(F)F)n2)c(Cl)c1 ZINC000432293693 567145292 /nfs/dbraw/zinc/14/52/92/567145292.db2.gz KUAUPVJCRGQHSK-UHFFFAOYSA-N 0 0 389.786 3.146 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NCCc2cccc(C(F)(F)F)n2)cc1Cl ZINC000432302597 567148932 /nfs/dbraw/zinc/14/89/32/567148932.db2.gz NFCYRAFPDWKVSR-UHFFFAOYSA-N 0 0 389.786 3.146 10 30 GGEERN CCn1nc(C(=O)Nc2ccc(C#N)c(Br)c2)c(=O)c2ccccc21 ZINC000589014544 567149492 /nfs/dbraw/zinc/14/94/92/567149492.db2.gz NSXPPLDLGNRQBN-UHFFFAOYSA-N 0 0 397.232 3.303 10 30 GGEERN Cc1nccc(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)c1Br ZINC000615054857 567154061 /nfs/dbraw/zinc/15/40/61/567154061.db2.gz RMGSDGJDCDUZHE-INIZCTEOSA-N 0 0 385.265 3.054 10 30 GGEERN N#CCc1ccnc(NC(=O)c2ncc(Br)cc2Br)c1 ZINC000546755527 567155035 /nfs/dbraw/zinc/15/50/35/567155035.db2.gz DIYBJSIZNCWGBQ-UHFFFAOYSA-N 0 0 396.042 3.320 10 30 GGEERN Cc1nc(C(F)(F)F)c(CN(C)S(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000546779424 567157944 /nfs/dbraw/zinc/15/79/44/567157944.db2.gz ICPOICXNWJQPLL-UHFFFAOYSA-N 0 0 375.397 3.163 10 30 GGEERN CN(Cc1cc(Br)ccc1F)S(=O)(=O)CC1(C#N)CCCC1 ZINC000546779078 567158227 /nfs/dbraw/zinc/15/82/27/567158227.db2.gz RJOUVIIQTNWVMF-UHFFFAOYSA-N 0 0 389.290 3.434 10 30 GGEERN N#CC1(CS(=O)(=O)NCCOc2cccc(Cl)c2Cl)CCCC1 ZINC000546798647 567159266 /nfs/dbraw/zinc/15/92/66/567159266.db2.gz BHVQCIHVDYZJCM-UHFFFAOYSA-N 0 0 377.293 3.376 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000615103847 567159649 /nfs/dbraw/zinc/15/96/49/567159649.db2.gz VZBBABZDBKOZGF-DJIMGWMZSA-N 0 0 379.298 3.282 10 30 GGEERN Cc1cnc(C)nc1N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000566482095 567160502 /nfs/dbraw/zinc/16/05/02/567160502.db2.gz KAJGVETXIDMYTN-KRWDZBQOSA-N 0 0 386.297 3.243 10 30 GGEERN CN(Cc1csc(Br)c1)S(=O)(=O)CC1(C#N)CCCC1 ZINC000546798658 567161651 /nfs/dbraw/zinc/16/16/51/567161651.db2.gz CJGBIPXKPKAJNV-UHFFFAOYSA-N 0 0 377.329 3.356 10 30 GGEERN C[C@@H](NS(=O)(=O)CC1(C#N)CCC1)c1ccc(F)c(Br)c1 ZINC000589219950 567166719 /nfs/dbraw/zinc/16/67/19/567166719.db2.gz NKSPQARNIVNXNW-SNVBAGLBSA-N 0 0 375.263 3.262 10 30 GGEERN C[C@@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccc(Br)cc1 ZINC000546875667 567166640 /nfs/dbraw/zinc/16/66/40/567166640.db2.gz ZAPYVYWYPPQIOM-CQSZACIVSA-N 0 0 399.292 3.168 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000454387756 567170759 /nfs/dbraw/zinc/17/07/59/567170759.db2.gz STEVEWSPSDVERH-AAEUAGOBSA-N 0 0 394.269 3.102 10 30 GGEERN C[C@@H](NCc1nc(C#N)cs1)c1cc2c(cc1Br)OCCO2 ZINC000589309744 567175107 /nfs/dbraw/zinc/17/51/07/567175107.db2.gz GNSBCFHGMGVYMV-SECBINFHSA-N 0 0 380.267 3.399 10 30 GGEERN COc1cc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1C#N ZINC000589435831 567177998 /nfs/dbraw/zinc/17/79/98/567177998.db2.gz OTFYAUKGSAZPJM-UHFFFAOYSA-N 0 0 378.215 3.129 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)N[C@H]2CCN(c3ccccc3Br)C2)C1 ZINC000454493138 567178624 /nfs/dbraw/zinc/17/86/24/567178624.db2.gz VRIPXWAVGPNETH-KKUMJFAQSA-N 0 0 391.313 3.409 10 30 GGEERN N#Cc1cccc(C(=O)NCc2ccc(I)cc2Cl)n1 ZINC000589461747 567180540 /nfs/dbraw/zinc/18/05/40/567180540.db2.gz BCXUVFXRVZNDML-UHFFFAOYSA-N 0 0 397.603 3.141 10 30 GGEERN COCCN(Cc1ccc(Br)s1)C(=O)c1cccc(C#N)n1 ZINC000589494976 567181331 /nfs/dbraw/zinc/18/13/31/567181331.db2.gz HPWHHEPYQYHUKG-UHFFFAOYSA-N 0 0 380.267 3.066 10 30 GGEERN N#Cc1csc(CN2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)n1 ZINC000589495060 567181411 /nfs/dbraw/zinc/18/14/11/567181411.db2.gz PVMQHOGRSYNMHU-UHFFFAOYSA-N 0 0 381.288 3.280 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCc1ccc(Br)cc1Cl ZINC000615405110 567182986 /nfs/dbraw/zinc/18/29/86/567182986.db2.gz AESURYFYCIHXRY-HNNXBMFYSA-N 0 0 387.705 3.232 10 30 GGEERN C=CCOCCNC(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 ZINC000684132813 567183821 /nfs/dbraw/zinc/18/38/21/567183821.db2.gz VRRUGRQOVPPCBG-UHFFFAOYSA-N 0 0 396.285 3.009 10 30 GGEERN COc1ncc(Br)cc1Cc1noc(CCc2ccc(C#N)cc2)n1 ZINC000547173445 567187887 /nfs/dbraw/zinc/18/78/87/567187887.db2.gz GDAUNROFLMBRNZ-UHFFFAOYSA-N 0 0 399.248 3.483 10 30 GGEERN Cc1cc(NC(=O)N2CC[C@@](F)(C#N)C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000615541167 567189414 /nfs/dbraw/zinc/18/94/14/567189414.db2.gz KNDUOADSSMIQLF-MRXNPFEDSA-N 0 0 382.226 3.379 10 30 GGEERN N#C[C@]1(F)CCN(C(=O)CSCc2ccc(Br)cc2F)C1 ZINC000615591678 567192329 /nfs/dbraw/zinc/19/23/29/567192329.db2.gz QYVPZMNPJWHJTK-CQSZACIVSA-N 0 0 375.238 3.286 10 30 GGEERN N#Cc1ccccc1OCC(=O)Nc1nccc2cc(Br)ccc21 ZINC000589830502 567193711 /nfs/dbraw/zinc/19/37/11/567193711.db2.gz YFUDPVCEWXCIGB-UHFFFAOYSA-N 0 0 382.217 3.308 10 30 GGEERN N#C[C@H](NC(=O)c1cnn(CC(F)(F)F)c1)c1ccc(Br)cc1 ZINC000615682253 567200125 /nfs/dbraw/zinc/20/01/25/567200125.db2.gz IEIVOQRBSZSQBR-LBPRGKRZSA-N 0 0 387.159 3.203 10 30 GGEERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000498796063 567202906 /nfs/dbraw/zinc/20/29/06/567202906.db2.gz SCPIUFCQXDPNJP-DIFFPNOSSA-N 0 0 398.260 3.309 10 30 GGEERN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000498796062 567202970 /nfs/dbraw/zinc/20/29/70/567202970.db2.gz SCPIUFCQXDPNJP-APPDUMDISA-N 0 0 398.260 3.309 10 30 GGEERN Cc1ccc(C(=O)N2CCN(c3cnccc3C#N)CC2)c(C)c1Br ZINC000590046719 567203671 /nfs/dbraw/zinc/20/36/71/567203671.db2.gz GSSPNCDVBCUTGJ-UHFFFAOYSA-N 0 0 399.292 3.295 10 30 GGEERN C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ncc(Br)cn1 ZINC000590068637 567206564 /nfs/dbraw/zinc/20/65/64/567206564.db2.gz JEKPGFCQZQBHTH-ZDUSSCGKSA-N 0 0 386.297 3.430 10 30 GGEERN N#CC1(CS(=O)(=O)NCc2ccc(OCC(F)(F)F)cc2)CCCC1 ZINC000498883058 567208678 /nfs/dbraw/zinc/20/86/78/567208678.db2.gz FMIKREQQDHZQGH-UHFFFAOYSA-N 0 0 376.400 3.131 10 30 GGEERN Cc1cn2cc([N-]S(=O)(=O)c3ccc(C#N)c(Br)c3)ccc2[nH+]1 ZINC000432957514 567210081 /nfs/dbraw/zinc/21/00/81/567210081.db2.gz CAOQHSIPRODTHP-UHFFFAOYSA-N 0 0 391.250 3.078 10 30 GGEERN O=C(NC[C@H](O)C(F)(F)F)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000432984962 567212440 /nfs/dbraw/zinc/21/24/40/567212440.db2.gz OHCWFRBCOHKDMF-QMMMGPOBSA-N 0 0 382.207 3.352 10 30 GGEERN C[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ncc(Br)cn1 ZINC000432980352 567212683 /nfs/dbraw/zinc/21/26/83/567212683.db2.gz UKGMNNWCNBKDMQ-VIFPVBQESA-N 0 0 394.660 3.053 10 30 GGEERN Cc1onc(CC(=O)N2CCc3cc(Br)c(Cl)cc32)c1C#N ZINC000615889276 567212850 /nfs/dbraw/zinc/21/28/50/567212850.db2.gz YPSHIMGSYAJDKB-UHFFFAOYSA-N 0 0 380.629 3.402 10 30 GGEERN C=CCOc1c(Br)cc(CNc2cc(OC)n(C)n2)cc1OC ZINC000547497457 567213570 /nfs/dbraw/zinc/21/35/70/567213570.db2.gz QAKRYNRQOVGGMV-UHFFFAOYSA-N 0 0 382.258 3.377 10 30 GGEERN CC(C)(C#N)CNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000615911443 567214033 /nfs/dbraw/zinc/21/40/33/567214033.db2.gz LHZAGIKTZUWBIB-UHFFFAOYSA-N 0 0 392.175 3.072 10 30 GGEERN N#Cc1cccc(CNc2ncnc3cccc(I)c32)c1 ZINC000567092941 567216567 /nfs/dbraw/zinc/21/65/67/567216567.db2.gz ZMUGJMYTUQPFFS-UHFFFAOYSA-N 0 0 386.196 3.140 10 30 GGEERN N#Cc1ccc(N(CCO)Cc2cc(Br)ccc2F)cc1[N+](=O)[O-] ZINC000567092058 567217258 /nfs/dbraw/zinc/21/72/58/567217258.db2.gz XBYQMPFCRAISKK-UHFFFAOYSA-N 0 0 394.200 3.367 10 30 GGEERN N#CC1(Cc2nc(COc3ccc(I)cc3)no2)CC1 ZINC000590276991 567217290 /nfs/dbraw/zinc/21/72/90/567217290.db2.gz CQUOGXZPVUKBJW-UHFFFAOYSA-N 0 0 381.173 3.099 10 30 GGEERN CS(=O)(=O)c1cc(NC(=O)NCc2ccc(C#N)cc2F)ccc1Cl ZINC000615981951 567217482 /nfs/dbraw/zinc/21/74/82/567217482.db2.gz BZJNGMHFQMFBMF-UHFFFAOYSA-N 0 0 381.816 3.076 10 30 GGEERN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CC2(C#N)CC2)CC1 ZINC000590277973 567217884 /nfs/dbraw/zinc/21/78/84/567217884.db2.gz XVVITNQEHDBVDX-AWEZNQCLSA-N 0 0 376.298 3.348 10 30 GGEERN C[C@H](NC(=O)CC1(C#N)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000590303158 567219652 /nfs/dbraw/zinc/21/96/52/567219652.db2.gz AJOJKXMYNZGVGX-JTQLQIEISA-N 0 0 375.226 3.370 10 30 GGEERN COC(=O)C[C@](C)(NC(=O)CC1(C#N)CC1)c1ccc(Br)cc1 ZINC000590340392 567221305 /nfs/dbraw/zinc/22/13/05/567221305.db2.gz YCDLRBCMKJHCCK-INIZCTEOSA-N 0 0 379.254 3.037 10 30 GGEERN C[C@@]1(F)CNCCN(C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000659604846 567221716 /nfs/dbraw/zinc/22/17/16/567221716.db2.gz HSYQAAJVJJFKEP-GFCCVEGCSA-N 0 0 381.336 3.383 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000590390631 567222453 /nfs/dbraw/zinc/22/24/53/567222453.db2.gz UKKUTMPTHKZUKM-OAHLLOKOSA-N 0 0 386.249 3.318 10 30 GGEERN C=CCNc1ncc(C(=O)N[C@H]2CCOc3ccc(Br)cc32)s1 ZINC000433089857 567222526 /nfs/dbraw/zinc/22/25/26/567222526.db2.gz JKZZZPJCWFLVBA-LBPRGKRZSA-N 0 0 394.294 3.179 10 30 GGEERN CC(C)(C)OC(=O)CSCC(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000524956498 567222889 /nfs/dbraw/zinc/22/28/89/567222889.db2.gz IMHGDYJLBKDXDM-ZDUSSCGKSA-N 0 0 399.310 3.205 10 30 GGEERN C[C@@H](NC(=O)c1cc2ccccc2n1CC#N)c1ncc(Br)cn1 ZINC000590475797 567227144 /nfs/dbraw/zinc/22/71/44/567227144.db2.gz LJSHDECSIUFFCV-LLVKDONJSA-N 0 0 384.237 3.208 10 30 GGEERN C=CCOCCNC(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC000684699289 567228450 /nfs/dbraw/zinc/22/84/50/567228450.db2.gz QLUFUTWWZQQPFH-UHFFFAOYSA-N 0 0 383.271 3.292 10 30 GGEERN C[C@H](NC(=O)c1c(F)c(F)c(Br)c(F)c1F)[C@@H](O)C(F)(F)F ZINC000616248084 567234751 /nfs/dbraw/zinc/23/47/51/567234751.db2.gz HEWQKAGIMMZKRH-WDGYUPOISA-N 0 0 398.072 3.047 10 30 GGEERN N#Cc1cscc1C(=O)Nc1ncn(Cc2ccc(Br)cc2)n1 ZINC000433233043 567235318 /nfs/dbraw/zinc/23/53/18/567235318.db2.gz FEDAYLXUEYIRLP-UHFFFAOYSA-N 0 0 388.250 3.274 10 30 GGEERN CC(C)(C)CC(=O)N1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC000590620898 567235834 /nfs/dbraw/zinc/23/58/34/567235834.db2.gz ANOIUANCPPNTJW-UHFFFAOYSA-N 0 0 392.297 3.041 10 30 GGEERN N#Cc1cc(Br)cnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC000590688573 567240245 /nfs/dbraw/zinc/24/02/45/567240245.db2.gz SPWKZHQCGGYQAG-UHFFFAOYSA-N 0 0 391.313 3.335 10 30 GGEERN N#Cc1ccc(N2CC[C@@H](Cc3cccc(I)c3)C2)nn1 ZINC000590707868 567241145 /nfs/dbraw/zinc/24/11/45/567241145.db2.gz DZVZWUKHVHFWIU-ZDUSSCGKSA-N 0 0 390.228 3.022 10 30 GGEERN COCc1cnc(CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)s1 ZINC000475346414 567242415 /nfs/dbraw/zinc/24/24/15/567242415.db2.gz GNHSHFDTHWBQRL-QGZVFWFLSA-N 0 0 376.913 3.325 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000616409433 567243977 /nfs/dbraw/zinc/24/39/77/567243977.db2.gz PZEOGWJTCPQMFU-BQBZGAKWSA-N 0 0 382.151 3.326 10 30 GGEERN Cc1nn(C)c2nc(C)cc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)c12 ZINC000499391852 567244112 /nfs/dbraw/zinc/24/41/12/567244112.db2.gz BXMIEEYWTAVUHR-OAHLLOKOSA-N 0 0 398.264 3.342 10 30 GGEERN N#C[C@@H](NC(=O)CCNC(=O)c1ccsc1)c1ccc(Br)cc1 ZINC000499396752 567244205 /nfs/dbraw/zinc/24/42/05/567244205.db2.gz UTUXERTVWVOQBM-CQSZACIVSA-N 0 0 392.278 3.012 10 30 GGEERN N#C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000499408225 567245001 /nfs/dbraw/zinc/24/50/01/567245001.db2.gz XPLASBCHBJMMCN-AWEZNQCLSA-N 0 0 389.209 3.150 10 30 GGEERN N#CC1(CS(=O)(=O)N2CC[C@@H](c3cccc(Br)c3)C2)CCC1 ZINC000590762132 567245384 /nfs/dbraw/zinc/24/53/84/567245384.db2.gz FAUWZNGKDQBEGZ-CQSZACIVSA-N 0 0 383.311 3.262 10 30 GGEERN N#C[C@H](NC(=O)CNC(=O)CC1CCCCC1)c1ccc(Br)cc1 ZINC000499406352 567245328 /nfs/dbraw/zinc/24/53/28/567245328.db2.gz LHKWSOLAOVZNFD-INIZCTEOSA-N 0 0 392.297 3.217 10 30 GGEERN COc1cccc(OCC(=O)N[C@H](C#N)c2ccc(Br)cc2)c1 ZINC000499407533 567245383 /nfs/dbraw/zinc/24/53/83/567245383.db2.gz LWOMBGWANYNIGL-MRXNPFEDSA-N 0 0 375.222 3.218 10 30 GGEERN C[C@@H](NC(=O)C1CCCCC1)C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000499408637 567245451 /nfs/dbraw/zinc/24/54/51/567245451.db2.gz QDOBEBUOELAEJR-MLGOLLRUSA-N 0 0 392.297 3.215 10 30 GGEERN N#C[C@@H](NC(=O)c1ccc(OC(F)F)cn1)c1ccc(Br)cc1 ZINC000475392253 567245406 /nfs/dbraw/zinc/24/54/06/567245406.db2.gz OJERYDFLKDJFJY-CYBMUJFWSA-N 0 0 382.164 3.440 10 30 GGEERN N#C[C@H](NC(=O)COCCOc1ccccc1)c1ccc(Br)cc1 ZINC000499412065 567245534 /nfs/dbraw/zinc/24/55/34/567245534.db2.gz NJQHORLZULCABD-KRWDZBQOSA-N 0 0 389.249 3.226 10 30 GGEERN CC(=O)c1cccc(OCC(=O)N[C@@H](C#N)c2ccc(Br)cc2)c1 ZINC000499408895 567245601 /nfs/dbraw/zinc/24/56/01/567245601.db2.gz REXWMGOAZYPJIL-KRWDZBQOSA-N 0 0 387.233 3.412 10 30 GGEERN COc1ccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc1OC ZINC000499406531 567245629 /nfs/dbraw/zinc/24/56/29/567245629.db2.gz QFWDRIXYRXXTBX-AWEZNQCLSA-N 0 0 375.222 3.461 10 30 GGEERN N#C[C@@H](NC(=O)CN1C(=O)CCc2ccccc21)c1ccc(Br)cc1 ZINC000499403969 567245792 /nfs/dbraw/zinc/24/57/92/567245792.db2.gz HNLNBIQMPKNRKK-MRXNPFEDSA-N 0 0 398.260 3.109 10 30 GGEERN N#C[C@H](NC(=O)[C@@H](O)Cc1ccccc1Cl)c1ccc(Br)cc1 ZINC000475396758 567245963 /nfs/dbraw/zinc/24/59/63/567245963.db2.gz VORQSVCGIIPIDG-HOTGVXAUSA-N 0 0 393.668 3.387 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)N2Cc3cccc(Br)c3C2)c(F)c1 ZINC000616431833 567246118 /nfs/dbraw/zinc/24/61/18/567246118.db2.gz FXVYGTRPDVDAKY-UHFFFAOYSA-N 0 0 395.253 3.305 10 30 GGEERN N#C[C@H](NC(=O)c1cc(-c2cccnc2)on1)c1ccc(Br)cc1 ZINC000499416668 567246607 /nfs/dbraw/zinc/24/66/07/567246607.db2.gz URGMIVCXUGZRLX-HNNXBMFYSA-N 0 0 383.205 3.494 10 30 GGEERN N#C[C@@H](NC(=O)Cc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 ZINC000499417535 567246719 /nfs/dbraw/zinc/24/67/19/567246719.db2.gz HGEWEVUVEKNIQF-OAHLLOKOSA-N 0 0 387.233 3.144 10 30 GGEERN Cc1nc2ccccc2n1CC(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000499419058 567246842 /nfs/dbraw/zinc/24/68/42/567246842.db2.gz ZALCQABJNHXFOC-INIZCTEOSA-N 0 0 383.249 3.488 10 30 GGEERN CC(C)n1cnnc1SCC(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000499416859 567246992 /nfs/dbraw/zinc/24/69/92/567246992.db2.gz GMNYESYZDNXNCL-CYBMUJFWSA-N 0 0 394.298 3.095 10 30 GGEERN N#C[C@@H](NC(=O)CSC[C@@H]1CCCCO1)c1ccc(Br)cc1 ZINC000499431467 567247853 /nfs/dbraw/zinc/24/78/53/567247853.db2.gz GFLXHFQRIDVJPG-LSDHHAIUSA-N 0 0 383.311 3.432 10 30 GGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000499437601 567248154 /nfs/dbraw/zinc/24/81/54/567248154.db2.gz QRWFQSBVGQLIOO-WBMJQRKESA-N 0 0 384.233 3.469 10 30 GGEERN N#C[C@@H](NC(=O)c1ccc(N2CCCC2)nc1)c1ccc(Br)cc1 ZINC000499437335 567248529 /nfs/dbraw/zinc/24/85/29/567248529.db2.gz ROCXJEXLROQKSH-MRXNPFEDSA-N 0 0 385.265 3.439 10 30 GGEERN N#C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000499441096 567248586 /nfs/dbraw/zinc/24/85/86/567248586.db2.gz YUWCMXCAUOAYLQ-CQSZACIVSA-N 0 0 378.157 3.491 10 30 GGEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000499437598 567248796 /nfs/dbraw/zinc/24/87/96/567248796.db2.gz QRWFQSBVGQLIOO-BLLLJJGKSA-N 0 0 384.233 3.469 10 30 GGEERN Cc1cc(Br)cn2cc(CCNC(=O)c3cscc3C#N)nc12 ZINC000499444743 567249317 /nfs/dbraw/zinc/24/93/17/567249317.db2.gz PAJGVWGLNFALAQ-UHFFFAOYSA-N 0 0 389.278 3.311 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000616522653 567250928 /nfs/dbraw/zinc/25/09/28/567250928.db2.gz HKAOHBLKSBYNSW-MRXNPFEDSA-N 0 0 384.307 3.113 10 30 GGEERN O=C(N[C@H](CO)CCF)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000616558218 567251220 /nfs/dbraw/zinc/25/12/20/567251220.db2.gz JCFIQDGNWLWVTF-JTQLQIEISA-N 0 0 379.247 3.426 10 30 GGEERN C[C@H](O)CN(CC(F)F)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000455246483 567252241 /nfs/dbraw/zinc/25/22/41/567252241.db2.gz VMTFWOTVKMBAMD-MADCSZMMSA-N 0 0 376.272 3.226 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)N2CCN(c3cccc(Br)c3)CC2)C1 ZINC000455271770 567255264 /nfs/dbraw/zinc/25/52/64/567255264.db2.gz JIQJOEFCEUAXCM-HOCLYGCPSA-N 0 0 391.313 3.363 10 30 GGEERN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC000660068614 567255916 /nfs/dbraw/zinc/25/59/16/567255916.db2.gz MBMBFXPOUGNBAW-PHIMTYICSA-N 0 0 390.839 3.448 10 30 GGEERN C=C[C@@H]1OCC[C@H]1C(=O)NCc1nc2cc(Br)ccc2n1CC ZINC000567572400 567257553 /nfs/dbraw/zinc/25/75/53/567257553.db2.gz AAOQBKKMOLMWED-DOMZBBRYSA-N 0 0 378.270 3.026 10 30 GGEERN CSC1(CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCC1 ZINC000433564556 567258564 /nfs/dbraw/zinc/25/85/64/567258564.db2.gz QGXFFBGSTMNUQF-UHFFFAOYSA-N 0 0 375.885 3.226 10 30 GGEERN CC[C@H](NC(=O)N[C@@H](c1cc(F)ccc1F)C(F)F)[C@H](O)C(F)(F)F ZINC000433623444 567262803 /nfs/dbraw/zinc/26/28/03/567262803.db2.gz GXWCJSWITFHMRR-DCAQKATOSA-N 0 0 376.272 3.272 10 30 GGEERN CC[C@H](NC(=O)N[C@H](c1cc(F)ccc1F)C(F)F)[C@H](O)C(F)(F)F ZINC000433623443 567263259 /nfs/dbraw/zinc/26/32/59/567263259.db2.gz GXWCJSWITFHMRR-AXFHLTTASA-N 0 0 376.272 3.272 10 30 GGEERN O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000660132220 567266124 /nfs/dbraw/zinc/26/61/24/567266124.db2.gz HLCQYWXDVKTREO-QMMMGPOBSA-N 0 0 395.296 3.186 10 30 GGEERN CC1(C)Oc2ccsc2[C@@H](Nc2ncc(Br)cc2C#N)[C@@H]1O ZINC000591177950 567267630 /nfs/dbraw/zinc/26/76/30/567267630.db2.gz PHNDLOCWPHULAH-YPMHNXCESA-N 0 0 380.267 3.462 10 30 GGEERN Cc1ccc(C(=O)Nc2nc3n(c2C#N)CCS3)c(C)c1Br ZINC000616907974 567268641 /nfs/dbraw/zinc/26/86/41/567268641.db2.gz DGYAJCTXUBHDRL-UHFFFAOYSA-N 0 0 377.267 3.492 10 30 GGEERN CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1nn(C)cc1Br ZINC000455383166 567269159 /nfs/dbraw/zinc/26/91/59/567269159.db2.gz XZIXBESRTBHRKF-UHFFFAOYSA-N 0 0 390.285 3.176 10 30 GGEERN C[C@@H]1OCCN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)[C@@H]1C(F)(F)F ZINC000660145380 567270462 /nfs/dbraw/zinc/27/04/62/567270462.db2.gz PYBFPOQSWWKMQU-CPCISQLKSA-N 0 0 395.296 3.185 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000567726648 567272299 /nfs/dbraw/zinc/27/22/99/567272299.db2.gz OADIRJDKXDYYOK-LRDDRELGSA-N 0 0 376.254 3.160 10 30 GGEERN C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000499806161 567274221 /nfs/dbraw/zinc/27/42/21/567274221.db2.gz XZCUPLCCMXDLLF-NHYWBVRUSA-N 0 0 376.243 3.493 10 30 GGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000617038971 567278012 /nfs/dbraw/zinc/27/80/12/567278012.db2.gz AQWCKXMOLXSHDJ-JSGCOSHPSA-N 0 0 390.285 3.290 10 30 GGEERN CC(C)(C)OC(=O)c1ccc(Cn2cc(Br)cc(C#N)c2=O)cc1 ZINC000567796536 567278178 /nfs/dbraw/zinc/27/81/78/567278178.db2.gz CGKTXVKLUXCJRJ-UHFFFAOYSA-N 0 0 389.249 3.486 10 30 GGEERN N#Cc1ccc(NC(=O)N2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1Br ZINC000455467816 567278609 /nfs/dbraw/zinc/27/86/09/567278609.db2.gz STDGSIILQWEBHP-CABZTGNLSA-N 0 0 392.175 3.098 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N(CC(F)F)CC2CCC2)cc1Br ZINC000433883572 567281224 /nfs/dbraw/zinc/28/12/24/567281224.db2.gz QAZBPAKFDCRZSL-UHFFFAOYSA-N 0 0 393.253 3.377 10 30 GGEERN C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCSC2)C1 ZINC000567859226 567285011 /nfs/dbraw/zinc/28/50/11/567285011.db2.gz YERRRJIYSSKFSA-SFHVURJKSA-N 0 0 376.913 3.497 10 30 GGEERN Cc1cc(Br)cc2c1CN([C@H](C)C(=O)NC1(C#N)CCC1)CC2 ZINC000526057938 567285866 /nfs/dbraw/zinc/28/58/66/567285866.db2.gz BMIIFKKNCMJAPF-CYBMUJFWSA-N 0 0 376.298 3.067 10 30 GGEERN C=CCOCCCNC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000660366584 567290044 /nfs/dbraw/zinc/29/00/44/567290044.db2.gz FJCWXWODQNOOAN-LBPRGKRZSA-N 0 0 399.285 3.173 10 30 GGEERN C=C[C@](C)(O)CC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000685659907 567292074 /nfs/dbraw/zinc/29/20/74/567292074.db2.gz BLBWSEPYPGUTKV-SFHVURJKSA-N 0 0 381.259 3.469 10 30 GGEERN N#Cc1ccc(OCc2nc(-c3ccoc3)no2)c(I)c1 ZINC000500036364 567292804 /nfs/dbraw/zinc/29/28/04/567292804.db2.gz ICUBEGGHHSBXEN-UHFFFAOYSA-N 0 0 393.140 3.385 10 30 GGEERN C=CCC1(C(=O)Nc2cc(I)ccc2O)CCOCC1 ZINC000591773864 567297029 /nfs/dbraw/zinc/29/70/29/567297029.db2.gz MIAGQHNTLONMIW-UHFFFAOYSA-N 0 0 387.217 3.308 10 30 GGEERN CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(C)c(SCC#N)s2)cc1 ZINC000476131154 567300602 /nfs/dbraw/zinc/30/06/02/567300602.db2.gz CQVNAUFXXIADBZ-UHFFFAOYSA-N 0 0 395.531 3.042 10 30 GGEERN N#CC1(CC(=O)N(CCn2ccnc2)Cc2ccccc2Br)CC1 ZINC000591833131 567300819 /nfs/dbraw/zinc/30/08/19/567300819.db2.gz ITEJZEVONKAYOL-UHFFFAOYSA-N 0 0 387.281 3.368 10 30 GGEERN Cn1c(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)nc2cccc(Cl)c21 ZINC000476192749 567303491 /nfs/dbraw/zinc/30/34/91/567303491.db2.gz JKKFXDNWOUADPK-UHFFFAOYSA-N 0 0 395.271 3.230 10 30 GGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1nc(COC)cs1 ZINC000500250233 567309879 /nfs/dbraw/zinc/30/98/79/567309879.db2.gz AZKPKXIGHSWKJJ-UHFFFAOYSA-N 0 0 385.898 3.158 10 30 GGEERN COc1ccc(Br)cc1C1(NC(=O)NCC2(C#N)CCC2)CC1 ZINC000592034850 567310128 /nfs/dbraw/zinc/31/01/28/567310128.db2.gz SCYZDYFVEWALFY-UHFFFAOYSA-N 0 0 378.270 3.440 10 30 GGEERN C=CCOc1c(Br)cc(CNc2ncc(OC)cn2)cc1OC ZINC000685916055 567310500 /nfs/dbraw/zinc/31/05/00/567310500.db2.gz IHSKWHPARYAHQX-UHFFFAOYSA-N 0 0 380.242 3.433 10 30 GGEERN N#Cc1cnccc1CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000592059637 567311226 /nfs/dbraw/zinc/31/12/26/567311226.db2.gz WBAIAJPVKBXRRJ-UHFFFAOYSA-N 0 0 375.259 3.218 10 30 GGEERN C=CCOc1cccnc1C(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000527081905 567311221 /nfs/dbraw/zinc/31/12/21/567311221.db2.gz ALAPGKMPBCVVHE-UHFFFAOYSA-N 0 0 391.221 3.448 10 30 GGEERN COc1ncc(S(=O)(=O)N[C@@H](CCCC#N)c2ccccc2)cc1Cl ZINC000592054088 567311383 /nfs/dbraw/zinc/31/13/83/567311383.db2.gz MIBCMAVAGAEWCS-INIZCTEOSA-N 0 0 379.869 3.457 10 30 GGEERN C=CCN(CCC#N)S(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000592054417 567311447 /nfs/dbraw/zinc/31/14/47/567311447.db2.gz SIIRFYPHCKVBMF-UHFFFAOYSA-N 0 0 382.283 3.031 10 30 GGEERN N#Cc1cnccc1CN1CCN(Cc2ccc(Br)s2)CC1 ZINC000592058499 567311713 /nfs/dbraw/zinc/31/17/13/567311713.db2.gz HELMGDXWMJDMMJ-UHFFFAOYSA-N 0 0 377.311 3.095 10 30 GGEERN N#CC1(CS(=O)(=O)NCC[C@@H]2CSc3ccccc3O2)CCCCC1 ZINC000592067838 567312976 /nfs/dbraw/zinc/31/29/76/567312976.db2.gz VGYFXWCGCZMEFU-OAHLLOKOSA-N 0 0 380.535 3.323 10 30 GGEERN CCCCN([C@@H]1CCc2ncsc2C1)S(=O)(=O)c1ccc(C#N)s1 ZINC000592109144 567314670 /nfs/dbraw/zinc/31/46/70/567314670.db2.gz VCASOGQWHHPPOR-GFCCVEGCSA-N 0 0 381.548 3.425 10 30 GGEERN CCCCN([C@@H]1CCc2ncsc2C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000592108547 567315071 /nfs/dbraw/zinc/31/50/71/567315071.db2.gz NJJOBBYFNMPHKV-OAHLLOKOSA-N 0 0 375.519 3.363 10 30 GGEERN N#Cc1ncccc1S(=O)(=O)N1CCc2cc(Br)c(Cl)cc21 ZINC000617479004 567315190 /nfs/dbraw/zinc/31/51/90/567315190.db2.gz ORTOPPFILUPXPW-UHFFFAOYSA-N 0 0 398.669 3.121 10 30 GGEERN CCO[C@H](C)c1nc(CN(C)S(=O)(=O)CC2(C#N)CCCCC2)cs1 ZINC000476317741 567315053 /nfs/dbraw/zinc/31/50/53/567315053.db2.gz FXCAFNSFLVTSGS-CQSZACIVSA-N 0 0 385.555 3.476 10 30 GGEERN C[C@@H](NC(=O)c1ccnc(C#N)c1)c1nc(-c2ccc(Br)cc2)no1 ZINC000476335387 567316123 /nfs/dbraw/zinc/31/61/23/567316123.db2.gz TZPZPJFDCWRLRZ-SNVBAGLBSA-N 0 0 398.220 3.257 10 30 GGEERN N#Cc1cnccc1CN1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000592121625 567316576 /nfs/dbraw/zinc/31/65/76/567316576.db2.gz WUDGPBUIYAXLGM-UHFFFAOYSA-N 0 0 389.272 3.173 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CCC1 ZINC000568329260 567319446 /nfs/dbraw/zinc/31/94/46/567319446.db2.gz JYBSOXNYWYOCLB-CYBMUJFWSA-N 0 0 388.320 3.185 10 30 GGEERN C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000527311163 567329158 /nfs/dbraw/zinc/32/91/58/567329158.db2.gz WORZEBYZNJSFPA-QMMMGPOBSA-N 0 0 392.175 3.167 10 30 GGEERN N#Cc1ccsc1N1CC[C@@H](Sc2nc(C(F)(F)F)cc(=O)[nH]2)C1=O ZINC000434792789 567329048 /nfs/dbraw/zinc/32/90/48/567329048.db2.gz GDHIMAAYPSBGTE-MRVPVSSYSA-N 0 0 386.380 3.032 10 30 GGEERN CCn1nncc1COc1c(Br)cc(C#N)cc1Br ZINC000592361116 567332710 /nfs/dbraw/zinc/33/27/10/567332710.db2.gz IZNHXEMZWOPVNA-UHFFFAOYSA-N 0 0 386.047 3.274 10 30 GGEERN Cn1cc(Br)c2ccc(S(=O)(=O)NC3(C#N)CCCCC3)cc21 ZINC000592382179 567333917 /nfs/dbraw/zinc/33/39/17/567333917.db2.gz KWONDHRWWLVWAW-UHFFFAOYSA-N 0 0 396.310 3.446 10 30 GGEERN C=CC[C@@H]1CCCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000617781565 567334316 /nfs/dbraw/zinc/33/43/16/567334316.db2.gz PMPVJFJJHXNKRE-LLVKDONJSA-N 0 0 379.254 3.208 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000456047442 567334466 /nfs/dbraw/zinc/33/44/66/567334466.db2.gz KLVRYKRMAIYSKT-WFASDCNBSA-N 0 0 393.285 3.159 10 30 GGEERN CC(=O)N[C@H](CC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccc(Br)cc1 ZINC000456056057 567336036 /nfs/dbraw/zinc/33/60/36/567336036.db2.gz XPWILZKAFGKKDL-RRQGHBQHSA-N 0 0 392.297 3.215 10 30 GGEERN COC1CCC(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000435153720 567343736 /nfs/dbraw/zinc/34/37/36/567343736.db2.gz MZJQHBPJZZOKAR-UHFFFAOYSA-N 0 0 376.400 3.061 10 30 GGEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1c(Br)cccc1Br ZINC000456140751 567345293 /nfs/dbraw/zinc/34/52/93/567345293.db2.gz BROUWAFVNPJGFK-MNOVXSKESA-N 0 0 375.060 3.285 10 30 GGEERN CC(C)(C)OC(=O)C(C)(C)C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000592613924 567350435 /nfs/dbraw/zinc/35/04/35/567350435.db2.gz CZJOBTLQFWWMQS-ZDUSSCGKSA-N 0 0 381.270 3.498 10 30 GGEERN CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC1(CC#N)CC1 ZINC000435230239 567351089 /nfs/dbraw/zinc/35/10/89/567351089.db2.gz BIWCASNJEFCZDG-HNNXBMFYSA-N 0 0 379.913 3.002 10 30 GGEERN N#Cc1ccc(OC2CCN(C(=O)c3ncc(Br)s3)CC2)cc1 ZINC000617995333 567351526 /nfs/dbraw/zinc/35/15/26/567351526.db2.gz PWZBRYZNWCIZDR-UHFFFAOYSA-N 0 0 392.278 3.461 10 30 GGEERN Cc1c(C#N)c(NC(=O)CSCc2ccc(Br)cc2)nn1C ZINC000592645403 567352725 /nfs/dbraw/zinc/35/27/25/567352725.db2.gz AZXKODVUETZTDS-UHFFFAOYSA-N 0 0 379.283 3.235 10 30 GGEERN Cc1c(C#N)c(NC(=O)CCOc2ccc(C)cc2Br)nn1C ZINC000592646473 567353096 /nfs/dbraw/zinc/35/30/96/567353096.db2.gz PAVFWEPXYYWGFW-UHFFFAOYSA-N 0 0 377.242 3.079 10 30 GGEERN COc1ccc(Br)cc1C1(NC(=O)c2cc(C)c(C#N)cn2)CC1 ZINC000592670940 567354495 /nfs/dbraw/zinc/35/44/95/567354495.db2.gz FIGZYNSIRMCWGK-UHFFFAOYSA-N 0 0 386.249 3.452 10 30 GGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1ncc(Br)cc1Br ZINC000456265896 567357083 /nfs/dbraw/zinc/35/70/83/567357083.db2.gz PHRUHOATOGUTHJ-MNOVXSKESA-N 0 0 390.075 3.070 10 30 GGEERN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000592732230 567358443 /nfs/dbraw/zinc/35/84/43/567358443.db2.gz AWUSHGWMJLXWQT-MGPQQGTHSA-N 0 0 393.281 3.403 10 30 GGEERN Cc1csc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1 ZINC000592752574 567360397 /nfs/dbraw/zinc/36/03/97/567360397.db2.gz PNPHLBZNHXLVIH-UHFFFAOYSA-N 0 0 377.267 3.161 10 30 GGEERN C[C@@H]1c2cccn2CCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592750338 567360423 /nfs/dbraw/zinc/36/04/23/567360423.db2.gz WIFOEJVXNRKWLT-CYBMUJFWSA-N 0 0 399.292 3.162 10 30 GGEERN CC(C)n1cc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cn1 ZINC000592757298 567360513 /nfs/dbraw/zinc/36/05/13/567360513.db2.gz IVGIGTXNGGPQHR-UHFFFAOYSA-N 0 0 388.269 3.173 10 30 GGEERN C[C@@H](c1ccccn1)N(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592755686 567360547 /nfs/dbraw/zinc/36/05/47/567360547.db2.gz WRLCKRVXCGOLDK-ZDUSSCGKSA-N 0 0 399.292 3.372 10 30 GGEERN CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000592755848 567360551 /nfs/dbraw/zinc/36/05/51/567360551.db2.gz CFJWURUMQBBSDE-ZWKOTPCHSA-N 0 0 390.325 3.171 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)NC2(C#N)CCCCC2)C1 ZINC000592755830 567360614 /nfs/dbraw/zinc/36/06/14/567360614.db2.gz AXIIFNNTSMENRV-UHFFFAOYSA-N 0 0 387.281 3.100 10 30 GGEERN CC(C)n1nccc1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592747665 567360629 /nfs/dbraw/zinc/36/06/29/567360629.db2.gz IMGPGFGAOYSDFI-UHFFFAOYSA-N 0 0 388.269 3.173 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@H]2c2ccc[nH]2)C1 ZINC000592751887 567360635 /nfs/dbraw/zinc/36/06/35/567360635.db2.gz ZKAXCRSRBPIXEB-SFHVURJKSA-N 0 0 399.292 3.449 10 30 GGEERN C[C@H](c1cccnc1)N(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592754606 567360885 /nfs/dbraw/zinc/36/08/85/567360885.db2.gz BUDJKFBHZRVZHL-CYBMUJFWSA-N 0 0 399.292 3.372 10 30 GGEERN CC(C)(C)OC(=O)c1ccc(CNS(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435420096 567360914 /nfs/dbraw/zinc/36/09/14/567360914.db2.gz BGYLNBYMPCVJAE-UHFFFAOYSA-N 0 0 378.475 3.054 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2ccsc2)C1 ZINC000592750676 567361036 /nfs/dbraw/zinc/36/10/36/567361036.db2.gz CQSFIWIPPXTRDS-UHFFFAOYSA-N 0 0 376.279 3.135 10 30 GGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCn1cc(Br)ccc1=O ZINC000661251229 567361870 /nfs/dbraw/zinc/36/18/70/567361870.db2.gz CRORXNGWEAUYSO-HIFRSBDPSA-N 0 0 382.302 3.045 10 30 GGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCn1cc(Br)ccc1=O ZINC000661251230 567361931 /nfs/dbraw/zinc/36/19/31/567361931.db2.gz CRORXNGWEAUYSO-UKRRQHHQSA-N 0 0 382.302 3.045 10 30 GGEERN Cc1ncsc1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592775956 567361879 /nfs/dbraw/zinc/36/18/79/567361879.db2.gz YISRKNGCRSPWHJ-UHFFFAOYSA-N 0 0 377.267 3.161 10 30 GGEERN Cc1ccc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)c(C)n1 ZINC000592773358 567361992 /nfs/dbraw/zinc/36/19/92/567361992.db2.gz SQFJYINJTCLYGS-UHFFFAOYSA-N 0 0 385.265 3.408 10 30 GGEERN CC(C)OCCCCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592784949 567362027 /nfs/dbraw/zinc/36/20/27/567362027.db2.gz CBBWHNFFAHRNNY-UHFFFAOYSA-N 0 0 394.313 3.078 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H]2CCC(F)(F)C2)C1 ZINC000592775090 567362066 /nfs/dbraw/zinc/36/20/66/567362066.db2.gz FVNKTIULPFCOKO-ZDUSSCGKSA-N 0 0 384.224 3.061 10 30 GGEERN Cc1cccc(CN(C)C(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1 ZINC000592769193 567362212 /nfs/dbraw/zinc/36/22/12/567362212.db2.gz JMOFZNSGBSEDDM-UHFFFAOYSA-N 0 0 399.292 3.119 10 30 GGEERN COC(C)(C)C[C@H](C)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592767115 567362272 /nfs/dbraw/zinc/36/22/72/567362272.db2.gz OTGXYEBKTFKCMO-LBPRGKRZSA-N 0 0 394.313 3.077 10 30 GGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC000661272749 567362894 /nfs/dbraw/zinc/36/28/94/567362894.db2.gz XQMNDQMLCPPUMH-ILXRZTDVSA-N 0 0 383.311 3.380 10 30 GGEERN Cc1ccncc1CN(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592795978 567363494 /nfs/dbraw/zinc/36/34/94/567363494.db2.gz CRWGDQGEGFPKST-UHFFFAOYSA-N 0 0 399.292 3.119 10 30 GGEERN CC[C@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C(F)(F)F ZINC000592793172 567363659 /nfs/dbraw/zinc/36/36/59/567363659.db2.gz MKLLVNZSPWCHKT-ZDUSSCGKSA-N 0 0 390.203 3.214 10 30 GGEERN C[C@@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCC1(F)F ZINC000592800552 567363883 /nfs/dbraw/zinc/36/38/83/567363883.db2.gz JFAJAJIFUUXZQN-LLVKDONJSA-N 0 0 398.251 3.261 10 30 GGEERN C[C@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCC1(F)F ZINC000592800555 567364099 /nfs/dbraw/zinc/36/40/99/567364099.db2.gz JFAJAJIFUUXZQN-NSHDSACASA-N 0 0 398.251 3.261 10 30 GGEERN COc1ccccc1CC1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000435433467 567364768 /nfs/dbraw/zinc/36/47/68/567364768.db2.gz OBCHSPCSBAFELV-UHFFFAOYSA-N 0 0 376.503 3.272 10 30 GGEERN CN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc(C#N)s1 ZINC000435435875 567366578 /nfs/dbraw/zinc/36/65/78/567366578.db2.gz CCIIRCNWXLIQKO-UHFFFAOYSA-N 0 0 375.244 3.346 10 30 GGEERN CC1(CC(F)F)CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 ZINC000592834197 567367540 /nfs/dbraw/zinc/36/75/40/567367540.db2.gz FUNGVZHYQXEYCI-UHFFFAOYSA-N 0 0 398.251 3.261 10 30 GGEERN Cc1ccc(C)c([C@H]2CN(S(=O)(=O)c3ccc(C#N)s3)[C@H](C)CO2)c1 ZINC000435440242 567368050 /nfs/dbraw/zinc/36/80/50/567368050.db2.gz UXUIIRRVSNHRLO-RHSMWYFYSA-N 0 0 376.503 3.387 10 30 GGEERN N#Cc1ncccc1OCc1cc(I)cc([N+](=O)[O-])c1 ZINC000568981823 567371502 /nfs/dbraw/zinc/37/15/02/567371502.db2.gz QKTMCTZJTWBEJL-UHFFFAOYSA-N 0 0 381.129 3.045 10 30 GGEERN N#Cc1cc(C(=O)NCc2ccc(Cl)cc2I)ccn1 ZINC000477101931 567371695 /nfs/dbraw/zinc/37/16/95/567371695.db2.gz QOEIJZBYRNBWDT-UHFFFAOYSA-N 0 0 397.603 3.141 10 30 GGEERN Cc1c(NC(=O)COc2ccc(C#N)c(Br)c2)n[nH]c1C(C)C ZINC000592949202 567374017 /nfs/dbraw/zinc/37/40/17/567374017.db2.gz HZGSYMNOWUIZRW-UHFFFAOYSA-N 0 0 377.242 3.493 10 30 GGEERN N#Cc1ccsc1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000477155294 567376511 /nfs/dbraw/zinc/37/65/11/567376511.db2.gz CSKGOUHVEIBLBE-UHFFFAOYSA-N 0 0 389.234 3.362 10 30 GGEERN C=CCCn1cc(C(=O)N[C@@H]2CSCc3ccc(Br)cc32)nn1 ZINC000618360315 567377626 /nfs/dbraw/zinc/37/76/26/567377626.db2.gz OMNULZWNTVDGCG-OAHLLOKOSA-N 0 0 393.310 3.335 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NC1CCN(c2ccccn2)CC1 ZINC000593029990 567379670 /nfs/dbraw/zinc/37/96/70/567379670.db2.gz YUMXXRIHPONFAZ-UHFFFAOYSA-N 0 0 399.292 3.043 10 30 GGEERN CCN(c1cccnc1C)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000435626447 567379793 /nfs/dbraw/zinc/37/97/93/567379793.db2.gz OMJJCFIGLUGSIV-UHFFFAOYSA-N 0 0 380.267 3.239 10 30 GGEERN CC(C)[C@@](C)(C#N)NC(=O)CNC1(c2ccccc2Br)CCC1 ZINC000593038780 567380527 /nfs/dbraw/zinc/38/05/27/567380527.db2.gz HNVKPNZXAAZTHH-QGZVFWFLSA-N 0 0 378.314 3.472 10 30 GGEERN CC(C)Oc1ncccc1CNC(=O)Cc1ccc(Br)cc1C#N ZINC000593032091 567380558 /nfs/dbraw/zinc/38/05/58/567380558.db2.gz SREYGUWMJYXBPR-UHFFFAOYSA-N 0 0 388.265 3.362 10 30 GGEERN COc1nc(C)cc(C)c1CNC(=O)Cc1ccc(Br)cc1C#N ZINC000593050284 567380965 /nfs/dbraw/zinc/38/09/65/567380965.db2.gz QWXIEWWEBQOKNF-UHFFFAOYSA-N 0 0 388.265 3.200 10 30 GGEERN C[C@@](C#N)(NC(=O)CNC1(c2ccccc2Br)CCC1)C1CC1 ZINC000593040868 567381288 /nfs/dbraw/zinc/38/12/88/567381288.db2.gz WZESJBQXHRLUAJ-KRWDZBQOSA-N 0 0 376.298 3.226 10 30 GGEERN COc1ccc2c(c1)CN(C(=O)Cc1ccc(Br)cc1C#N)CC2 ZINC000593039670 567381389 /nfs/dbraw/zinc/38/13/89/567381389.db2.gz NPMPOGVJURNQFI-UHFFFAOYSA-N 0 0 385.261 3.457 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NCCc1ccc2c(c1)CCO2 ZINC000593062425 567382223 /nfs/dbraw/zinc/38/22/23/567382223.db2.gz GKEBNLMOMDTDSW-UHFFFAOYSA-N 0 0 385.261 3.157 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCCC[C@H]1c1ncon1 ZINC000593066946 567382549 /nfs/dbraw/zinc/38/25/49/567382549.db2.gz JJMUXCBVJMKRKD-AWEZNQCLSA-N 0 0 375.226 3.000 10 30 GGEERN CC1(C)[C@H](NC(=O)Cc2ccc(Br)cc2C#N)[C@@H]2CCCO[C@H]21 ZINC000593068401 567382760 /nfs/dbraw/zinc/38/27/60/567382760.db2.gz DYVOLFLSFLTMMH-USXIJHARSA-N 0 0 377.282 3.183 10 30 GGEERN CC[C@H](NC(=O)Cc1ccc(Br)cc1C#N)c1c(C)nn(C)c1C ZINC000593075633 567383638 /nfs/dbraw/zinc/38/36/38/567383638.db2.gz FDZJBZJCEKYRLP-INIZCTEOSA-N 0 0 389.297 3.481 10 30 GGEERN CCO[C@H]1C[C@@H](NC(=O)Cc2ccc(Br)cc2C#N)C12CCC2 ZINC000593069428 567383784 /nfs/dbraw/zinc/38/37/84/567383784.db2.gz LXNABEBHDCKJBG-CVEARBPZSA-N 0 0 377.282 3.327 10 30 GGEERN CCc1cnc(CCNC(=O)Cc2ccc(Br)cc2C#N)s1 ZINC000593076101 567383940 /nfs/dbraw/zinc/38/39/40/567383940.db2.gz HORNUGKLJXKCNR-UHFFFAOYSA-N 0 0 378.295 3.241 10 30 GGEERN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593080681 567384129 /nfs/dbraw/zinc/38/41/29/567384129.db2.gz OXTDWPFOAKZQEO-PXAQALGRSA-N 0 0 397.338 3.059 10 30 GGEERN COC[C@@H](NC(=O)Cc1ccc(Br)cc1C#N)c1ccc(C)o1 ZINC000593080120 567384304 /nfs/dbraw/zinc/38/43/04/567384304.db2.gz FNQHJJCUUCNUSX-OAHLLOKOSA-N 0 0 377.238 3.269 10 30 GGEERN N#Cc1ccc(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])c(F)c1 ZINC000618374424 567384781 /nfs/dbraw/zinc/38/47/81/567384781.db2.gz OMUUJJNSUOVELH-UHFFFAOYSA-N 0 0 384.186 3.360 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000593102081 567385214 /nfs/dbraw/zinc/38/52/14/567385214.db2.gz WNHYCVZLQLIPGR-RDJZCZTQSA-N 0 0 395.322 3.034 10 30 GGEERN Cc1cnc(CCN(C)C(=O)Cc2ccc(Br)cc2C#N)s1 ZINC000593103002 567385577 /nfs/dbraw/zinc/38/55/77/567385577.db2.gz JFUCPPKJJQBBTP-UHFFFAOYSA-N 0 0 378.295 3.329 10 30 GGEERN CC(C)N(CC(=O)OC(C)(C)C)C(=O)Cc1ccc(Br)cc1C#N ZINC000593112388 567386508 /nfs/dbraw/zinc/38/65/08/567386508.db2.gz GZXMOROKBZIHFS-UHFFFAOYSA-N 0 0 395.297 3.442 10 30 GGEERN COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593108490 567386954 /nfs/dbraw/zinc/38/69/54/567386954.db2.gz WLHYJUVKGCKBCH-QAPCUYQASA-N 0 0 393.281 3.101 10 30 GGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(Br)c(F)c1F ZINC000527988044 567387885 /nfs/dbraw/zinc/38/78/85/567387885.db2.gz RJLNWLBFHGTXOQ-NEPJUHHUSA-N 0 0 375.213 3.260 10 30 GGEERN N#Cc1cccc2c1CN(C[C@H](O)COc1cc(F)cc(Br)c1)C2 ZINC000593125260 567388579 /nfs/dbraw/zinc/38/85/79/567388579.db2.gz CQEIJBIQLPAXPJ-INIZCTEOSA-N 0 0 391.240 3.215 10 30 GGEERN O=C(NCCO[C@@H]1CC1(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000661681332 567388736 /nfs/dbraw/zinc/38/87/36/567388736.db2.gz KQBBOJGAZHKNJF-XHNCKOQMSA-N 0 0 384.267 3.183 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CC[C@@H](Cc2ccncc2)C1 ZINC000593124968 567388987 /nfs/dbraw/zinc/38/89/87/567388987.db2.gz NYKXDLSZQIBCJB-HNNXBMFYSA-N 0 0 384.277 3.349 10 30 GGEERN C=CCN(CC=C)C(=O)CN1CCOC[C@H]1c1cccc(Br)c1 ZINC000661729274 567389399 /nfs/dbraw/zinc/38/93/99/567389399.db2.gz LOHVLGLIAXYQTM-KRWDZBQOSA-N 0 0 379.298 3.023 10 30 GGEERN C=C(C)CN(CC)C(=O)CN1CCOC[C@H]1c1cccc(Br)c1 ZINC000661729202 567389414 /nfs/dbraw/zinc/38/94/14/567389414.db2.gz JZLIKZBHOBHTOY-KRWDZBQOSA-N 0 0 381.314 3.247 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC2(C1)Oc1ccccc1O2 ZINC000593157923 567390997 /nfs/dbraw/zinc/39/09/97/567390997.db2.gz QMRSPFRSTAEPNK-UHFFFAOYSA-N 0 0 399.244 3.263 10 30 GGEERN Cc1noc([C@H]2CCCCN2C(=O)Cc2ccc(Br)cc2C#N)n1 ZINC000593159699 567391500 /nfs/dbraw/zinc/39/15/00/567391500.db2.gz PVZGBHSUWSBCOY-OAHLLOKOSA-N 0 0 389.253 3.309 10 30 GGEERN C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593152549 567391568 /nfs/dbraw/zinc/39/15/68/567391568.db2.gz AODARAVLLXUVMF-RNCFNFMXSA-N 0 0 391.187 3.041 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NCC1(c2ccccn2)CCC1 ZINC000593157844 567391651 /nfs/dbraw/zinc/39/16/51/567391651.db2.gz SICHHZSRIOKJGV-UHFFFAOYSA-N 0 0 384.277 3.496 10 30 GGEERN CC(C)[C@@H]1C[C@@H](CNC(=O)Cc2ccc(Br)cc2C#N)CCO1 ZINC000593167690 567392927 /nfs/dbraw/zinc/39/29/27/567392927.db2.gz DNOXZLOKJDHXFD-GUYCJALGSA-N 0 0 379.298 3.431 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000593165263 567393035 /nfs/dbraw/zinc/39/30/35/567393035.db2.gz AAQGVXZWYNFAKE-ROUUACIJSA-N 0 0 375.266 3.033 10 30 GGEERN C=CCOCCCNC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000661795933 567393250 /nfs/dbraw/zinc/39/32/50/567393250.db2.gz KHXCHNGRQQETFH-INIZCTEOSA-N 0 0 383.286 3.125 10 30 GGEERN N#Cc1ccc(S(=O)(=O)Nc2c(F)cc(Br)cc2Cl)cn1 ZINC000435892665 567394246 /nfs/dbraw/zinc/39/42/46/567394246.db2.gz IBLMYZHEWRKVBO-UHFFFAOYSA-N 0 0 390.621 3.309 10 30 GGEERN C=C(C)C[C@@H](C)C(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000456592081 567394530 /nfs/dbraw/zinc/39/45/30/567394530.db2.gz PMXMPVWMWIEGKW-CYBMUJFWSA-N 0 0 381.318 3.137 10 30 GGEERN N#Cc1ccc(OCCNS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000501521617 567394642 /nfs/dbraw/zinc/39/46/42/567394642.db2.gz OATRICAYFMOYJI-UHFFFAOYSA-N 0 0 385.272 3.363 10 30 GGEERN C=CCOCCCNC(=O)c1cnn(-c2ccc(Br)cc2)c1C ZINC000618514682 567395154 /nfs/dbraw/zinc/39/51/54/567395154.db2.gz NSWPMCCBSWNRDJ-UHFFFAOYSA-N 0 0 378.270 3.266 10 30 GGEERN C=CCOCCCNC(=O)CSc1nncn1-c1ccc(C)c(Cl)c1 ZINC000618514770 567395411 /nfs/dbraw/zinc/39/54/11/567395411.db2.gz OJTPXVFQXLMSRI-UHFFFAOYSA-N 0 0 380.901 3.030 10 30 GGEERN C=CCOCCCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000618515078 567395673 /nfs/dbraw/zinc/39/56/73/567395673.db2.gz SYXYFDTXESXFCB-UHFFFAOYSA-N 0 0 385.913 3.135 10 30 GGEERN N#CC1(CS(=O)(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)CCC1 ZINC000477468097 567396238 /nfs/dbraw/zinc/39/62/38/567396238.db2.gz QUYCNRFDVYJMEN-AWEZNQCLSA-N 0 0 379.551 3.225 10 30 GGEERN C=CCC[C@@H](NC(=O)Cc1cc(Br)ccc1OC)C(=O)OCC ZINC000456629576 567396570 /nfs/dbraw/zinc/39/65/70/567396570.db2.gz PJZGLMWUUSCANK-CQSZACIVSA-N 0 0 384.270 3.014 10 30 GGEERN C=CCOCCCNC(=O)[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000618523958 567396493 /nfs/dbraw/zinc/39/64/93/567396493.db2.gz XLYODWSTOXJRNE-QGZVFWFLSA-N 0 0 387.307 3.076 10 30 GGEERN C=CCOC[C@H](NC(=O)c1cc(Br)cc2ccccc21)C(=O)OC ZINC000435948451 567396702 /nfs/dbraw/zinc/39/67/02/567396702.db2.gz ILDVSYCEHKGXRM-INIZCTEOSA-N 0 0 392.249 3.076 10 30 GGEERN Cc1ccc2c(ncc(C#N)c2NC[C@@H](O)[C@H]2CCCO2)c1Br ZINC000528134037 567397348 /nfs/dbraw/zinc/39/73/48/567397348.db2.gz FHTAIYJNDHZQOI-ZIAGYGMSSA-N 0 0 376.254 3.129 10 30 GGEERN N#CC1(CS(=O)(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CCC1 ZINC000477483114 567397543 /nfs/dbraw/zinc/39/75/43/567397543.db2.gz TUIORSUZZLBNKT-ZDUSSCGKSA-N 0 0 389.304 3.470 10 30 GGEERN CN1C(=O)N(CC2(C#N)CCCC2)C(=O)[C@H]1c1cccc(Br)c1 ZINC000593230333 567399180 /nfs/dbraw/zinc/39/91/80/567399180.db2.gz SHOOIMIGXQQMFH-CQSZACIVSA-N 0 0 376.254 3.468 10 30 GGEERN N#Cc1ccnc(NC(=O)c2c(Cl)cccc2I)c1 ZINC000435990304 567399795 /nfs/dbraw/zinc/39/97/95/567399795.db2.gz NXIRJXNCTMHZQA-UHFFFAOYSA-N 0 0 383.576 3.464 10 30 GGEERN CCOC[C@H]1CN(c2c(C#N)cnc3c(Br)cccc32)CCO1 ZINC000528191335 567400465 /nfs/dbraw/zinc/40/04/65/567400465.db2.gz XCGFOWWSTODTJM-CYBMUJFWSA-N 0 0 376.254 3.111 10 30 GGEERN N#Cc1ccnc(NC(=O)c2cc(Cl)ccc2I)c1 ZINC000436012206 567400915 /nfs/dbraw/zinc/40/09/15/567400915.db2.gz HQLKBYHGBXVECK-UHFFFAOYSA-N 0 0 383.576 3.464 10 30 GGEERN N#Cc1ccnc(NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)c1 ZINC000436027382 567402333 /nfs/dbraw/zinc/40/23/33/567402333.db2.gz MNNZTQZOUAAYHS-UHFFFAOYSA-N 0 0 386.184 3.293 10 30 GGEERN C=CCOc1c(Br)cc(CN2CC(n3ccnn3)C2)cc1OCC ZINC000501705249 567403066 /nfs/dbraw/zinc/40/30/66/567403066.db2.gz HQWOJLHYRZVTKZ-UHFFFAOYSA-N 0 0 393.285 3.061 10 30 GGEERN N#CC1(CS(=O)(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)CCC1 ZINC000569436811 567403752 /nfs/dbraw/zinc/40/37/52/567403752.db2.gz FMQNPMFKGQGNRA-UHFFFAOYSA-N 0 0 393.456 3.365 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528223952 567403761 /nfs/dbraw/zinc/40/37/61/567403761.db2.gz ZMBKEMYCCATMRD-HEWAKGLMSA-N 0 0 390.306 3.359 10 30 GGEERN N#Cc1ccsc1C(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000456706953 567404870 /nfs/dbraw/zinc/40/48/70/567404870.db2.gz CQXZIMWRJBVXLO-NSHDSACASA-N 0 0 397.269 3.102 10 30 GGEERN C[S@](=O)c1ccc(CC(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc1 ZINC000436081553 567405208 /nfs/dbraw/zinc/40/52/08/567405208.db2.gz YKHCUNGVPLSZCV-HJPURHCSSA-N 0 0 391.290 3.110 10 30 GGEERN C[S@@](=O)c1ccc(CC(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1 ZINC000436081556 567405343 /nfs/dbraw/zinc/40/53/43/567405343.db2.gz YKHCUNGVPLSZCV-WAIKUNEKSA-N 0 0 391.290 3.110 10 30 GGEERN N#CC1(CNC(=O)NCCC(=O)Nc2ccc(Br)cc2)CCCC1 ZINC000593317773 567406225 /nfs/dbraw/zinc/40/62/25/567406225.db2.gz XDEAWHSJUPTBNP-UHFFFAOYSA-N 0 0 393.285 3.161 10 30 GGEERN N#CC1(CNC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CCCC1 ZINC000593340642 567407162 /nfs/dbraw/zinc/40/71/62/567407162.db2.gz AMRCDQAYSWNJLS-CQSZACIVSA-N 0 0 391.313 3.411 10 30 GGEERN COc1cc(CNC(=O)NCC2(C#N)CCCC2)cc(Br)c1OC ZINC000593331486 567407484 /nfs/dbraw/zinc/40/74/84/567407484.db2.gz NGRMZSJASQTEMA-UHFFFAOYSA-N 0 0 396.285 3.349 10 30 GGEERN N#Cc1c(F)cc(CNC(=O)[C@@H]2COc3ccc(Br)cc32)cc1F ZINC000549727850 567407413 /nfs/dbraw/zinc/40/74/13/567407413.db2.gz ZFDRYSGQSBFVQR-CYBMUJFWSA-N 0 0 393.187 3.391 10 30 GGEERN COC(=O)C[C@@H](NC(=O)c1cc(C#N)oc1C)c1cccc(Br)c1 ZINC000436136665 567407389 /nfs/dbraw/zinc/40/73/89/567407389.db2.gz SUYWQXRLFYUIHP-OAHLLOKOSA-N 0 0 391.221 3.256 10 30 GGEERN N#CC1(CNC(=O)N[C@H]2CCN(c3ccccc3Br)C2)CCCC1 ZINC000593340641 567407607 /nfs/dbraw/zinc/40/76/07/567407607.db2.gz AMRCDQAYSWNJLS-AWEZNQCLSA-N 0 0 391.313 3.411 10 30 GGEERN O=C(c1c(F)cc(C(F)(F)F)cc1F)N1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000456712436 567407675 /nfs/dbraw/zinc/40/76/75/567407675.db2.gz VRXRYORNCVCTMG-KSBSHMNSSA-N 0 0 377.231 3.369 10 30 GGEERN C=C(C)C[C@H](C)C(=O)NC[C@@H](CO)Cc1cc(Br)ccc1OC ZINC000456719374 567408571 /nfs/dbraw/zinc/40/85/71/567408571.db2.gz LNRAEGILYFFZOG-KBPBESRZSA-N 0 0 384.314 3.327 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000593396522 567410456 /nfs/dbraw/zinc/41/04/56/567410456.db2.gz ARACJHLRLALHAZ-GOSISDBHSA-N 0 0 385.261 3.463 10 30 GGEERN C=CCn1c(-c2cnn(C)c2)nnc1N1CCc2cccc(Br)c2C1 ZINC000569531633 567411089 /nfs/dbraw/zinc/41/10/89/567411089.db2.gz CNSPFYJFSDPBGJ-UHFFFAOYSA-N 0 0 399.296 3.190 10 30 GGEERN CN(Cc1nccn1C(F)F)C(=O)Cc1ccc(Br)cc1C#N ZINC000593400878 567412229 /nfs/dbraw/zinc/41/22/29/567412229.db2.gz UVJGUACCDKRACD-UHFFFAOYSA-N 0 0 383.196 3.113 10 30 GGEERN N#CC1(CNC(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)CCCC1 ZINC000593431094 567413365 /nfs/dbraw/zinc/41/33/65/567413365.db2.gz KEOIGUHGEHWILY-AWEZNQCLSA-N 0 0 384.249 3.005 10 30 GGEERN C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1ccc(Br)cn1 ZINC000477769744 567415245 /nfs/dbraw/zinc/41/52/45/567415245.db2.gz WGQNPIIUSCGUBW-APPDUMDISA-N 0 0 396.285 3.283 10 30 GGEERN C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1ccc(Br)cn1 ZINC000477769749 567415338 /nfs/dbraw/zinc/41/53/38/567415338.db2.gz WGQNPIIUSCGUBW-PIGZYNQJSA-N 0 0 396.285 3.283 10 30 GGEERN C=CCC[C@H](CO)NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000456763585 567416846 /nfs/dbraw/zinc/41/68/46/567416846.db2.gz DERYMQPIBVZURF-CQSZACIVSA-N 0 0 378.270 3.000 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1N1CCC(Cn2cnnc2)CC1 ZINC000593500387 567419168 /nfs/dbraw/zinc/41/91/68/567419168.db2.gz BOMDUHCWFOCGID-UHFFFAOYSA-N 0 0 397.280 3.377 10 30 GGEERN N#Cc1cc(Cl)cc(Br)c1NCc1ncc2c(n1)CCOC2 ZINC000593488111 567419183 /nfs/dbraw/zinc/41/91/83/567419183.db2.gz DXKWZDMFIHVZQL-UHFFFAOYSA-N 0 0 379.645 3.449 10 30 GGEERN Cc1ccc2c(ncc(C#N)c2NCC[C@@]2(O)CCOC2)c1Br ZINC000593494443 567419500 /nfs/dbraw/zinc/41/95/00/567419500.db2.gz DCAWCUHZYPIYST-QGZVFWFLSA-N 0 0 376.254 3.131 10 30 GGEERN CO[C@@H](C)c1nc(CNC(=O)Cc2ccc(Br)cc2C#N)cs1 ZINC000593511077 567419745 /nfs/dbraw/zinc/41/97/45/567419745.db2.gz FKZLROAPHSGCFJ-JTQLQIEISA-N 0 0 394.294 3.344 10 30 GGEERN CC(C)(C)OC(=O)CCCNC(=O)Cc1ccc(Br)cc1C#N ZINC000593498712 567419849 /nfs/dbraw/zinc/41/98/49/567419849.db2.gz JJZSWLKIMIGHMJ-UHFFFAOYSA-N 0 0 381.270 3.101 10 30 GGEERN CC(C)(C#N)c1ccc(S(=O)(=O)NCCOc2ccc(Cl)cc2)cc1 ZINC000593526556 567420448 /nfs/dbraw/zinc/42/04/48/567420448.db2.gz VEDFICJMXXXJAZ-UHFFFAOYSA-N 0 0 378.881 3.498 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCO[C@H](c2ccco2)C1 ZINC000593516117 567420557 /nfs/dbraw/zinc/42/05/57/567420557.db2.gz MCWLPNPRPSMPMZ-INIZCTEOSA-N 0 0 375.222 3.056 10 30 GGEERN COc1cc(CN(C)S(=O)(=O)c2ccsc2C#N)ccc1OC(F)F ZINC000593525514 567420953 /nfs/dbraw/zinc/42/09/53/567420953.db2.gz SSZTUNYLQCYGKU-UHFFFAOYSA-N 0 0 388.417 3.050 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NCC1(CCO)CCCCC1 ZINC000593530375 567421095 /nfs/dbraw/zinc/42/10/95/567421095.db2.gz KCTLLBFCNNPSBH-UHFFFAOYSA-N 0 0 379.298 3.312 10 30 GGEERN Cc1ccc(Br)cc1NC(=O)CCNC(=O)c1cscc1C#N ZINC000549946125 567421121 /nfs/dbraw/zinc/42/11/21/567421121.db2.gz IANXRGGSJJLMTC-UHFFFAOYSA-N 0 0 392.278 3.449 10 30 GGEERN CC(C)[C@H](NS(=O)(=O)c1ccsc1C#N)c1ccc2c(c1)OCCO2 ZINC000593525409 567421142 /nfs/dbraw/zinc/42/11/42/567421142.db2.gz FTXHSOYOJNDPMR-KRWDZBQOSA-N 0 0 378.475 3.067 10 30 GGEERN C[C@H]1CCN(C(=O)Cc2ccc(Br)cc2C#N)C[C@@H]1n1ccnc1 ZINC000593523958 567421266 /nfs/dbraw/zinc/42/12/66/567421266.db2.gz ZENOGYZZRWKICN-GUYCJALGSA-N 0 0 387.281 3.169 10 30 GGEERN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)Cc1cc(OC)ns1 ZINC000641258229 567421722 /nfs/dbraw/zinc/42/17/22/567421722.db2.gz OXBVQCIAPGAZKO-UHFFFAOYSA-N 0 0 378.928 3.385 10 30 GGEERN Cc1ccc(C)c(OC2CCN(S(=O)(=O)c3ccsc3C#N)CC2)c1 ZINC000593534883 567421868 /nfs/dbraw/zinc/42/18/68/567421868.db2.gz GQRDBKDNRGLIPU-UHFFFAOYSA-N 0 0 376.503 3.469 10 30 GGEERN CC[C@H](C)C(=O)Nc1cccc(CNS(=O)(=O)c2ccsc2C#N)c1 ZINC000593531767 567421878 /nfs/dbraw/zinc/42/18/78/567421878.db2.gz HOXWUVIJJWLGLU-LBPRGKRZSA-N 0 0 377.491 3.083 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000593539635 567421963 /nfs/dbraw/zinc/42/19/63/567421963.db2.gz ZDAWWEASIHFINJ-OAHLLOKOSA-N 0 0 380.466 3.129 10 30 GGEERN CN(C[C@H]1CCCO[C@@H]1c1ccccc1)S(=O)(=O)c1ccsc1C#N ZINC000593539244 567422115 /nfs/dbraw/zinc/42/21/15/567422115.db2.gz VLRCCGRXTQVANM-CRAIPNDOSA-N 0 0 376.503 3.408 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N[C@H](CCCO)c1ccccc1 ZINC000593533019 567422145 /nfs/dbraw/zinc/42/21/45/567422145.db2.gz ICOHUSBAPVJAOY-GOSISDBHSA-N 0 0 387.277 3.493 10 30 GGEERN N#Cc1sccc1S(=O)(=O)NCC1(c2ccc(Cl)cc2)CCOCC1 ZINC000593535956 567422322 /nfs/dbraw/zinc/42/23/22/567422322.db2.gz RFVLUJHYRCRQHG-UHFFFAOYSA-N 0 0 396.921 3.300 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000593535419 567422389 /nfs/dbraw/zinc/42/23/89/567422389.db2.gz ZKRPCWRMXUPJQD-OCAPTIKFSA-N 0 0 392.346 3.371 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NCCC[C@@H]1CCCC[C@@H]1O ZINC000593538641 567422508 /nfs/dbraw/zinc/42/25/08/567422508.db2.gz OHNAIBINQYVBFU-GUYCJALGSA-N 0 0 379.298 3.311 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N1CCC(OCCc2ccccc2)CC1 ZINC000593535868 567422517 /nfs/dbraw/zinc/42/25/17/567422517.db2.gz GQMPVKFBBXNFFH-UHFFFAOYSA-N 0 0 376.503 3.032 10 30 GGEERN CN(C[C@@H]1CCCO[C@H]1c1ccccc1)S(=O)(=O)c1ccsc1C#N ZINC000593539252 567422585 /nfs/dbraw/zinc/42/25/85/567422585.db2.gz VLRCCGRXTQVANM-YJBOKZPZSA-N 0 0 376.503 3.408 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000593542288 567422600 /nfs/dbraw/zinc/42/26/00/567422600.db2.gz WURXQTCGJWONQR-CYBMUJFWSA-N 0 0 386.857 3.174 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N[C@H](CCO)C1CCCCC1 ZINC000593533545 567422635 /nfs/dbraw/zinc/42/26/35/567422635.db2.gz QEKMXSBRCCYITR-QGZVFWFLSA-N 0 0 379.298 3.311 10 30 GGEERN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc2c(cc1Cl)N(C(C)=O)CC2 ZINC000528434945 567423637 /nfs/dbraw/zinc/42/36/37/567423637.db2.gz PYZCJUSECFCRSZ-GASCZTMLSA-N 0 0 380.897 3.121 10 30 GGEERN Cc1ccc(C)c([C@H]2CN(S(=O)(=O)c3ccsc3C#N)[C@H](C)CO2)c1 ZINC000593556205 567424090 /nfs/dbraw/zinc/42/40/90/567424090.db2.gz LPKGNKHVZCGTGV-GDBMZVCRSA-N 0 0 376.503 3.387 10 30 GGEERN COc1ccc(C[C@H]2CCCN(S(=O)(=O)c3ccsc3C#N)C2)cc1 ZINC000593551624 567424128 /nfs/dbraw/zinc/42/41/28/567424128.db2.gz BRPHYSQQYXCVGW-OAHLLOKOSA-N 0 0 376.503 3.272 10 30 GGEERN COc1ccc(C[C@@H]2CCCN(S(=O)(=O)c3ccsc3C#N)C2)cc1 ZINC000593551623 567424235 /nfs/dbraw/zinc/42/42/35/567424235.db2.gz BRPHYSQQYXCVGW-HNNXBMFYSA-N 0 0 376.503 3.272 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCc3cc(Cl)cc(Br)c32)cn1 ZINC000550046497 567424927 /nfs/dbraw/zinc/42/49/27/567424927.db2.gz GCZCJJBUABYIEF-UHFFFAOYSA-N 0 0 398.669 3.121 10 30 GGEERN Cc1ccsc1[C@@H](CO)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593576690 567424987 /nfs/dbraw/zinc/42/49/87/567424987.db2.gz RPYFIAHMAHJDIO-CQSZACIVSA-N 0 0 379.279 3.083 10 30 GGEERN CN([C@H]1CCO[C@@H](c2ccc(F)cc2)C1)S(=O)(=O)c1ccsc1C#N ZINC000593575563 567425203 /nfs/dbraw/zinc/42/52/03/567425203.db2.gz HREORUOBDGUENA-LSDHHAIUSA-N 0 0 380.466 3.300 10 30 GGEERN CC(C)(C)OC(=O)c1cccc(CNS(=O)(=O)c2ccsc2C#N)c1 ZINC000593574086 567425569 /nfs/dbraw/zinc/42/55/69/567425569.db2.gz YGYCHSHPIXQHIL-UHFFFAOYSA-N 0 0 378.475 3.054 10 30 GGEERN CN1CC[C@H](NS(=O)(=O)c2ccsc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000593568076 567425607 /nfs/dbraw/zinc/42/56/07/567425607.db2.gz UVWCUXNXGFPKEI-BBRMVZONSA-N 0 0 399.900 3.136 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000593575070 567425648 /nfs/dbraw/zinc/42/56/48/567425648.db2.gz FLMWYZIUTGGTOH-CQSZACIVSA-N 0 0 376.507 3.287 10 30 GGEERN CN([C@@H]1CCO[C@H](c2ccc(F)cc2)C1)S(=O)(=O)c1ccsc1C#N ZINC000593575560 567426003 /nfs/dbraw/zinc/42/60/03/567426003.db2.gz HREORUOBDGUENA-CABCVRRESA-N 0 0 380.466 3.300 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000593583663 567426331 /nfs/dbraw/zinc/42/63/31/567426331.db2.gz WPKQHRNZMCWCHC-MRXNPFEDSA-N 0 0 375.519 3.125 10 30 GGEERN CC(C)(C#N)c1ccc(S(=O)(=O)N2CCSC[C@H]2c2nccs2)cc1 ZINC000593584449 567427224 /nfs/dbraw/zinc/42/72/24/567427224.db2.gz OMRJVZXQKHQZJR-HNNXBMFYSA-N 0 0 393.559 3.423 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000593595054 567427266 /nfs/dbraw/zinc/42/72/66/567427266.db2.gz AFDZSIRBBILQFQ-GFCCVEGCSA-N 0 0 378.479 3.186 10 30 GGEERN C[C@@H](CCO)C1(CNC(=O)Cc2ccc(Br)cc2C#N)CCC1 ZINC000593582613 567427310 /nfs/dbraw/zinc/42/73/10/567427310.db2.gz VQLIQNPHCSXGKB-ZDUSSCGKSA-N 0 0 379.298 3.168 10 30 GGEERN CC(C)(C)[C@H]1CCN(C(=O)Cc2ccc(Br)cc2C#N)C[C@@H]1O ZINC000593582947 567427340 /nfs/dbraw/zinc/42/73/40/567427340.db2.gz PYJKIEQKKKSJNG-HOTGVXAUSA-N 0 0 379.298 3.119 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@@H](OCC2CC2)C1 ZINC000593618766 567428224 /nfs/dbraw/zinc/42/82/24/567428224.db2.gz SVELLGQEYDEQKN-QGZVFWFLSA-N 0 0 377.282 3.281 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N[C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000593605978 567428449 /nfs/dbraw/zinc/42/84/49/567428449.db2.gz NCUWWTBOJSQBIS-KRWDZBQOSA-N 0 0 376.503 3.192 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NC2(c3ccccc3Br)CCC2)o1 ZINC000593617235 567428512 /nfs/dbraw/zinc/42/85/12/567428512.db2.gz SZPXUYYAHFTADS-UHFFFAOYSA-N 0 0 381.251 3.271 10 30 GGEERN N#Cc1sccc1S(=O)(=O)NC1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000593604297 567428553 /nfs/dbraw/zinc/42/85/53/567428553.db2.gz PVLCNYQJSYPTLH-UHFFFAOYSA-N 0 0 388.392 3.486 10 30 GGEERN C[C@@]1(Cc2cccc(Cl)c2)CCCN1S(=O)(=O)c1cncc(C#N)c1 ZINC000593621327 567428796 /nfs/dbraw/zinc/42/87/96/567428796.db2.gz JNGOQGYHHCIZNN-SFHVURJKSA-N 0 0 375.881 3.393 10 30 GGEERN CCC(C)(C)OC1CN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000528489076 567429437 /nfs/dbraw/zinc/42/94/37/567429437.db2.gz HCYSGZLDUZEUCA-UHFFFAOYSA-N 0 0 376.400 3.155 10 30 GGEERN N#CCCCOc1cccnc1NC(=O)Cc1ccc(Br)cc1O ZINC000550138222 567429544 /nfs/dbraw/zinc/42/95/44/567429544.db2.gz BUQVBORFPWFEIG-UHFFFAOYSA-N 0 0 390.237 3.413 10 30 GGEERN N#CC1(CNS(=O)(=O)c2cc(Br)cc3cccnc32)CCCC1 ZINC000593623473 567429605 /nfs/dbraw/zinc/42/96/05/567429605.db2.gz MHHAEGCVSKMRPM-UHFFFAOYSA-N 0 0 394.294 3.360 10 30 GGEERN C[C@@]1(Cc2cccc(Cl)c2)CCCN1S(=O)(=O)c1cccnc1C#N ZINC000593623316 567429698 /nfs/dbraw/zinc/42/96/98/567429698.db2.gz ZHTMTDSIIJHUIQ-SFHVURJKSA-N 0 0 375.881 3.393 10 30 GGEERN N#CC1(CNS(=O)(=O)c2cc(Cl)ccc2Br)CCCC1 ZINC000593622953 567429924 /nfs/dbraw/zinc/42/99/24/567429924.db2.gz FIUWDTNVCHGFLF-UHFFFAOYSA-N 0 0 377.691 3.465 10 30 GGEERN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000593622908 567429994 /nfs/dbraw/zinc/42/99/94/567429994.db2.gz ZGFZXSNRJWUOJM-BXUZGUMPSA-N 0 0 384.885 3.095 10 30 GGEERN N#CC1(CNS(=O)(=O)c2ccc(Cl)c(Br)c2)CCCC1 ZINC000593623709 567430091 /nfs/dbraw/zinc/43/00/91/567430091.db2.gz NZBBNOUFAOFCKI-UHFFFAOYSA-N 0 0 377.691 3.465 10 30 GGEERN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000593622315 567430207 /nfs/dbraw/zinc/43/02/07/567430207.db2.gz UFBYXARWGPGMEI-IAQYHMDHSA-N 0 0 384.885 3.095 10 30 GGEERN CC1(C)CCC[C@@](O)(CNC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593641136 567431246 /nfs/dbraw/zinc/43/12/46/567431246.db2.gz XLPZWMKXMOCCDB-SFHVURJKSA-N 0 0 379.298 3.311 10 30 GGEERN COc1ccc(C[C@H]2CCCCN2S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593642853 567431691 /nfs/dbraw/zinc/43/16/91/567431691.db2.gz OWZKDZHGHVHRRA-OAHLLOKOSA-N 0 0 376.503 3.414 10 30 GGEERN CCN(CCC#N)S(=O)(=O)N(C)[C@@H]1CCCc2c(OC)ccc(Cl)c21 ZINC000593660273 567433116 /nfs/dbraw/zinc/43/31/16/567433116.db2.gz HAIIYUAXXFJJDI-OAHLLOKOSA-N 0 0 385.917 3.138 10 30 GGEERN CCN(C[C@H](C)C#N)S(=O)(=O)NC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000593665443 567433122 /nfs/dbraw/zinc/43/31/22/567433122.db2.gz DUKMTYSUUGCMEG-GFCCVEGCSA-N 0 0 375.416 3.010 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCc2cc(O)ccc2C1 ZINC000593662251 567433351 /nfs/dbraw/zinc/43/33/51/567433351.db2.gz WFQZWNZPTBJVQB-QGZVFWFLSA-N 0 0 385.261 3.243 10 30 GGEERN Cc1c(Br)ccc(C(=O)N2CCN([C@H](C#N)C(C)C)CC2)c1F ZINC000619110571 567435299 /nfs/dbraw/zinc/43/52/99/567435299.db2.gz QEBGIXQCJGJCAX-OAHLLOKOSA-N 0 0 382.277 3.203 10 30 GGEERN C=CCC1(NC(=O)c2cc3c(cc2Br)NC(=O)CO3)CCCC1 ZINC000619110365 567435863 /nfs/dbraw/zinc/43/58/63/567435863.db2.gz DQECGIDKIWMQIU-UHFFFAOYSA-N 0 0 379.254 3.399 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1C[C@@H](CO)Cc2ccccc21 ZINC000593717683 567436236 /nfs/dbraw/zinc/43/62/36/567436236.db2.gz FPXOFAPXTBLLKM-ZDUSSCGKSA-N 0 0 385.261 3.061 10 30 GGEERN Cn1cc([C@H]2N(C(=O)Cc3ccc(Br)cc3C#N)CC2(C)C)cn1 ZINC000593708473 567436358 /nfs/dbraw/zinc/43/63/58/567436358.db2.gz XQVKPTYWKWFNKB-QGZVFWFLSA-N 0 0 387.281 3.206 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NC[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000593720127 567436542 /nfs/dbraw/zinc/43/65/42/567436542.db2.gz PRZFNXHXRTUFOA-UYAOXDASSA-N 0 0 399.288 3.146 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CC[C@@](CO)(c2ccccc2)C1 ZINC000593724562 567437327 /nfs/dbraw/zinc/43/73/27/567437327.db2.gz USBOORXETLXFHC-HXUWFJFHSA-N 0 0 399.288 3.026 10 30 GGEERN CC(C)[C@@H](NC(=O)Cc1ccc(Br)cc1C#N)[C@@H](CO)C(C)C ZINC000593739986 567437402 /nfs/dbraw/zinc/43/74/02/567437402.db2.gz DZRLGNLJXNLNQO-FUHWJXTLSA-N 0 0 381.314 3.269 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1C[C@H](O)C[C@H]1c1ccccc1 ZINC000593743214 567437411 /nfs/dbraw/zinc/43/74/11/567437411.db2.gz DIAZGTNFYOIXSM-MSOLQXFVSA-N 0 0 385.261 3.198 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000593734367 567437718 /nfs/dbraw/zinc/43/77/18/567437718.db2.gz GBJNJDGEJLMZFC-RCCFBDPRSA-N 0 0 391.309 3.405 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000593731922 567437886 /nfs/dbraw/zinc/43/78/86/567437886.db2.gz HEAVRFVAWIRYKV-SFHVURJKSA-N 0 0 389.293 3.281 10 30 GGEERN CC[C@@H](C#N)C(=O)N1CC[C@H](Cc2cccc(I)c2)C1 ZINC000593733047 567437902 /nfs/dbraw/zinc/43/79/02/567437902.db2.gz VSNNDRFGHLNOHO-KGLIPLIRSA-N 0 0 382.245 3.232 10 30 GGEERN CN(CCOc1ccccc1Cl)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000478137018 567438203 /nfs/dbraw/zinc/43/82/03/567438203.db2.gz OYTCXYMVVIESCT-UHFFFAOYSA-N 0 0 382.844 3.191 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)N[C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)c(F)c1 ZINC000528557666 567438958 /nfs/dbraw/zinc/43/89/58/567438958.db2.gz PUFTUAKXIPCDCD-BMGDILEWSA-N 0 0 376.840 3.108 10 30 GGEERN N#CC1(CNC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)CCCC1 ZINC000593772582 567439034 /nfs/dbraw/zinc/43/90/34/567439034.db2.gz UGPRANORACIVKM-UHFFFAOYSA-N 0 0 378.263 3.447 10 30 GGEERN N#CC1(CNC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CCCC1 ZINC000593777747 567440364 /nfs/dbraw/zinc/44/03/64/567440364.db2.gz BMVMFLOGUCTCLO-OAHLLOKOSA-N 0 0 377.897 3.055 10 30 GGEERN CCn1c(SCC(=O)NCC2(C#N)CCCC2)nnc1-c1cccs1 ZINC000593781521 567440477 /nfs/dbraw/zinc/44/04/77/567440477.db2.gz HPUJHORPMJKTMS-UHFFFAOYSA-N 0 0 375.523 3.319 10 30 GGEERN N#CC1(CNC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CCCC1 ZINC000593782191 567440741 /nfs/dbraw/zinc/44/07/41/567440741.db2.gz HXDNNNLWDPQNHJ-ZDUSSCGKSA-N 0 0 390.281 3.002 10 30 GGEERN COC(=O)[C@H](CCF)NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000593807176 567442068 /nfs/dbraw/zinc/44/20/68/567442068.db2.gz HJAWJXPNSJDTML-JTQLQIEISA-N 0 0 375.240 3.355 10 30 GGEERN CC(C)(C(=O)N=c1ccn(CCC#N)[nH]1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000528611806 567442934 /nfs/dbraw/zinc/44/29/34/567442934.db2.gz WFYLFTJGFGHEAR-HNNXBMFYSA-N 0 0 381.263 3.224 10 30 GGEERN C=CCCn1cc(C[S@@](=O)Cc2cn3cc(Cl)cc(Cl)c3n2)nn1 ZINC000593937602 567447827 /nfs/dbraw/zinc/44/78/27/567447827.db2.gz SVMUVQLSQBCFGO-DEOSSOPVSA-N 0 0 384.292 3.258 10 30 GGEERN C=CCCn1cc(C[S@@](=O)CCCc2ccccc2Br)nn1 ZINC000593938110 567447875 /nfs/dbraw/zinc/44/78/75/567447875.db2.gz GJYRFLRZKJPIMM-QFIPXVFZSA-N 0 0 382.327 3.498 10 30 GGEERN C=CCCn1cc(C[S@](=O)Cc2cn3cc(Cl)cc(Cl)c3n2)nn1 ZINC000593937603 567447916 /nfs/dbraw/zinc/44/79/16/567447916.db2.gz SVMUVQLSQBCFGO-XMMPIXPASA-N 0 0 384.292 3.258 10 30 GGEERN C=CCCn1cc(C[S@](=O)[C@H](C)C(=O)Nc2ccc(Cl)cc2C)nn1 ZINC000593943313 567449198 /nfs/dbraw/zinc/44/91/98/567449198.db2.gz XEQNONSFBRPLBF-SHZVTRLKSA-N 0 0 380.901 3.092 10 30 GGEERN C=CCCn1cc(C[S@](=O)[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)nn1 ZINC000593941382 567449228 /nfs/dbraw/zinc/44/92/28/567449228.db2.gz LCKORQOBCWRTOG-CANCMXDXSA-N 0 0 380.901 3.092 10 30 GGEERN C=CCCn1cc(C[S@](=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)nn1 ZINC000593939741 567449244 /nfs/dbraw/zinc/44/92/44/567449244.db2.gz IXYOUUXFHJYYQT-DEOSSOPVSA-N 0 0 387.292 3.048 10 30 GGEERN C=CCCn1cc(C[S@@](=O)[C@H](C)C(=O)Nc2ccc(C)cc2Cl)nn1 ZINC000593941384 567449275 /nfs/dbraw/zinc/44/92/75/567449275.db2.gz LCKORQOBCWRTOG-YMXBGEKHSA-N 0 0 380.901 3.092 10 30 GGEERN C=CCCn1cc(C[S@](=O)[C@H](C)C(=O)Nc2ccc(C)cc2Cl)nn1 ZINC000593941383 567449462 /nfs/dbraw/zinc/44/94/62/567449462.db2.gz LCKORQOBCWRTOG-SHZVTRLKSA-N 0 0 380.901 3.092 10 30 GGEERN C=CCCn1cc(C[S@@](=O)[C@@H](C)C(=O)Nc2ccc(C)cc2Cl)nn1 ZINC000593941385 567449555 /nfs/dbraw/zinc/44/95/55/567449555.db2.gz LCKORQOBCWRTOG-ZJWNCGCPSA-N 0 0 380.901 3.092 10 30 GGEERN COc1cc(C)cc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)c1O ZINC000436756386 567449884 /nfs/dbraw/zinc/44/98/84/567449884.db2.gz CVIDNNWNPVMTNE-CQSZACIVSA-N 0 0 375.222 3.466 10 30 GGEERN COc1cc(Br)c(CNC(=O)c2cscc2C#N)cc1OC ZINC000550506017 567450242 /nfs/dbraw/zinc/45/02/42/567450242.db2.gz ALMHMTJBTFCNSK-UHFFFAOYSA-N 0 0 381.251 3.329 10 30 GGEERN N#CC1(CS(=O)(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)CCC1 ZINC000570009230 567450527 /nfs/dbraw/zinc/45/05/27/567450527.db2.gz STDHGELHUAKFED-QGZVFWFLSA-N 0 0 381.929 3.090 10 30 GGEERN COC(=O)C[C@](C)(NC(=O)CCCCC#N)c1ccc(Br)cc1 ZINC000594010740 567452429 /nfs/dbraw/zinc/45/24/29/567452429.db2.gz RMDFNSWAQFJAHX-KRWDZBQOSA-N 0 0 381.270 3.428 10 30 GGEERN Cc1nc2ccc(Br)cn2c1C(=O)NCc1ccc(C#N)cc1F ZINC000619434913 567452468 /nfs/dbraw/zinc/45/24/68/567452468.db2.gz KKMALERVZVOIEU-UHFFFAOYSA-N 0 0 387.212 3.346 10 30 GGEERN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCOc2cccc(Br)c2C1 ZINC000594029248 567453938 /nfs/dbraw/zinc/45/39/38/567453938.db2.gz BMWFBZWBODNCFY-FZKQIMNGSA-N 0 0 394.313 3.086 10 30 GGEERN N#CCc1cccc(S(=O)(=O)NCc2cc(F)cc(Br)c2)c1 ZINC000619477926 567457457 /nfs/dbraw/zinc/45/74/57/567457457.db2.gz KCSCGQZQIQGCKS-UHFFFAOYSA-N 0 0 383.242 3.133 10 30 GGEERN N#Cc1cc(CS(=O)(=O)c2nc3cccc(Br)c3s2)ccn1 ZINC000619472113 567457839 /nfs/dbraw/zinc/45/78/39/567457839.db2.gz UNFCCMMOSANYGO-UHFFFAOYSA-N 0 0 394.275 3.299 10 30 GGEERN CCO[C@@H](C)c1nc(CN(C)S(=O)(=O)c2cccc(CC#N)c2)cs1 ZINC000619487496 567459370 /nfs/dbraw/zinc/45/93/70/567459370.db2.gz KGFYSIZLGSYAOK-ZDUSSCGKSA-N 0 0 379.507 3.127 10 30 GGEERN CC(C)(C)O[C@H]1C[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000594138694 567461260 /nfs/dbraw/zinc/46/12/60/567461260.db2.gz HRBTZEDDKWTCKJ-MQMHXKEQSA-N 0 0 381.270 3.162 10 30 GGEERN CC(C)OC(=O)C[C@H](NC(=O)Cc1ccc(Br)cc1C#N)C(C)C ZINC000594164608 567463727 /nfs/dbraw/zinc/46/37/27/567463727.db2.gz WPJPNMNUJQZTKX-INIZCTEOSA-N 0 0 395.297 3.346 10 30 GGEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccc(Br)cc1 ZINC000502988553 567463993 /nfs/dbraw/zinc/46/39/93/567463993.db2.gz SFOBCSSQNVVYBC-QGZVFWFLSA-N 0 0 381.270 3.327 10 30 GGEERN CCOc1cc(-c2noc(-c3cc(C#N)cn3C)n2)cc(Br)c1O ZINC000436889522 567464113 /nfs/dbraw/zinc/46/41/13/567464113.db2.gz QQCARNNNFAIDGC-UHFFFAOYSA-N 0 0 389.209 3.481 10 30 GGEERN C=CCN1C(=O)c2ccc(C(=O)NCc3ccccc3Br)cc2C1=O ZINC000642037106 567464550 /nfs/dbraw/zinc/46/45/50/567464550.db2.gz ROCNMQGTAVUPIC-UHFFFAOYSA-N 0 0 399.244 3.161 10 30 GGEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccc(Br)c(F)c1 ZINC000503011019 567465277 /nfs/dbraw/zinc/46/52/77/567465277.db2.gz SPJYFSPURLKPRR-KRWDZBQOSA-N 0 0 399.260 3.466 10 30 GGEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCc1ccccc1Br ZINC000503003890 567465396 /nfs/dbraw/zinc/46/53/96/567465396.db2.gz XSAAUTKWDTXPCX-SFHVURJKSA-N 0 0 395.297 3.369 10 30 GGEERN N#CCCCCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000594246258 567466001 /nfs/dbraw/zinc/46/60/01/567466001.db2.gz XWEOALSKTAJHEL-CYBMUJFWSA-N 0 0 393.285 3.105 10 30 GGEERN CCN(CC)S(=O)(=O)c1ccc(SCc2ccc(C#N)c(F)c2)nc1 ZINC000478550661 567467141 /nfs/dbraw/zinc/46/71/41/567467141.db2.gz WVBYWBOIAYKGNO-UHFFFAOYSA-N 0 0 379.482 3.415 10 30 GGEERN C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000594334394 567469364 /nfs/dbraw/zinc/46/93/64/567469364.db2.gz FYVOKJMVFLTXSD-ACJLOTCBSA-N 0 0 387.277 3.349 10 30 GGEERN C[C@@H](CC(=O)NCc1cc(F)c(C#N)c(F)c1)n1cc(Br)cn1 ZINC000594353548 567469580 /nfs/dbraw/zinc/46/95/80/567469580.db2.gz UMGIKLZTDFCZEW-VIFPVBQESA-N 0 0 383.196 3.063 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCc1ccc(S(C)(=O)=O)cc1 ZINC000550992851 567470906 /nfs/dbraw/zinc/47/09/06/567470906.db2.gz HXGZEXHYRLZEEE-UHFFFAOYSA-N 0 0 396.262 3.312 10 30 GGEERN N#Cc1cccc(NC(=O)CNc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000550986790 567471004 /nfs/dbraw/zinc/47/10/04/567471004.db2.gz CTYRNKJFDFTXHC-UHFFFAOYSA-N 0 0 375.182 3.280 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1NCCOC[C@H]1CCOC1 ZINC000619651162 567471032 /nfs/dbraw/zinc/47/10/32/567471032.db2.gz RQEQFTBRRZIIAK-LBPRGKRZSA-N 0 0 376.254 3.334 10 30 GGEERN N#Cc1ccsc1NC(=O)C(=O)N[C@@H]1CCCOc2c(Cl)cccc21 ZINC000550966655 567471311 /nfs/dbraw/zinc/47/13/11/567471311.db2.gz GUCLPTYZORVBJW-CYBMUJFWSA-N 0 0 375.837 3.242 10 30 GGEERN C[C@@H](C(=O)Nc1cc(Br)cc(C(C)(C)C)c1O)n1cnc(C#N)n1 ZINC000594380815 567471489 /nfs/dbraw/zinc/47/14/89/567471489.db2.gz AGHHFBPSQXXVAY-VIFPVBQESA-N 0 0 392.257 3.115 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1NCCOC[C@@H]1CCOC1 ZINC000619651161 567471417 /nfs/dbraw/zinc/47/14/17/567471417.db2.gz RQEQFTBRRZIIAK-GFCCVEGCSA-N 0 0 376.254 3.334 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1NCC1CCS(=O)(=O)CC1 ZINC000619651333 567471601 /nfs/dbraw/zinc/47/16/01/567471601.db2.gz GFIXYUIHJRBRSE-UHFFFAOYSA-N 0 0 394.294 3.106 10 30 GGEERN Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)ncc1C#N ZINC000457512665 567471918 /nfs/dbraw/zinc/47/19/18/567471918.db2.gz DPJJOIUPXZFSRE-OAHLLOKOSA-N 0 0 385.265 3.033 10 30 GGEERN C=CCOC[C@H]1NC(=O)N(c2ncc(Cc3cccc(Cl)c3)s2)C1=O ZINC000570303155 567474871 /nfs/dbraw/zinc/47/48/71/567474871.db2.gz XSICEYKYMLUNCK-CQSZACIVSA-N 0 0 377.853 3.015 10 30 GGEERN COC(=O)c1cc(F)cc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1F ZINC000478687898 567475529 /nfs/dbraw/zinc/47/55/29/567475529.db2.gz AGJWICIWBMSUKK-UHFFFAOYSA-N 0 0 386.763 3.077 10 30 GGEERN Cc1cc(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)ncc1C#N ZINC000457579399 567477464 /nfs/dbraw/zinc/47/74/64/567477464.db2.gz ZICQEGHTELKDGF-CQSZACIVSA-N 0 0 385.265 3.033 10 30 GGEERN CCCCCn1cc(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)c(C)n1 ZINC000503244959 567477478 /nfs/dbraw/zinc/47/74/78/567477478.db2.gz TUAKVEDBSJUJPZ-UHFFFAOYSA-N 0 0 380.901 3.385 10 30 GGEERN COC(=O)c1ccc(S(=O)(=O)NCc2ccc(C#N)c(Cl)c2)c(Cl)c1 ZINC000619753357 567479042 /nfs/dbraw/zinc/47/90/42/567479042.db2.gz XZBMPSRXWXBEQG-UHFFFAOYSA-N 0 0 399.255 3.130 10 30 GGEERN C=CC[C@@H](CO)NC(=O)c1cc(Br)c(C)cc1Br ZINC000529026748 567479235 /nfs/dbraw/zinc/47/92/35/567479235.db2.gz YIVBBSLAIANMSW-VIFPVBQESA-N 0 0 377.076 3.187 10 30 GGEERN N#Cc1ccc(CNC(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000619769139 567480055 /nfs/dbraw/zinc/48/00/55/567480055.db2.gz IYWULKLTBSVEMC-GXTWGEPZSA-N 0 0 375.778 3.056 10 30 GGEERN Cc1sc(S(=O)(=O)NC2(c3ccc(C#N)cc3)CCC2)cc1[N+](=O)[O-] ZINC000594481986 567480362 /nfs/dbraw/zinc/48/03/62/567480362.db2.gz PQXGWKWSXJJTFM-UHFFFAOYSA-N 0 0 377.447 3.194 10 30 GGEERN N#C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000619784776 567480452 /nfs/dbraw/zinc/48/04/52/567480452.db2.gz QOIGZFRHRQISSL-INIZCTEOSA-N 0 0 375.822 3.491 10 30 GGEERN N#Cc1ccc(Br)cc1S(=O)(=O)NC[C@H]1CCC2(CCCC2)O1 ZINC000594486592 567480813 /nfs/dbraw/zinc/48/08/13/567480813.db2.gz BSHIWOPUXMRXJN-CQSZACIVSA-N 0 0 399.310 3.091 10 30 GGEERN C[C@H](C#N)CN(C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)C1CC1 ZINC000457656416 567481445 /nfs/dbraw/zinc/48/14/45/567481445.db2.gz CRDPKRLWEYTELO-LLVKDONJSA-N 0 0 378.263 3.397 10 30 GGEERN N#Cc1ccc(CNS(=O)(=O)c2cccc(Br)c2Cl)cc1 ZINC000551137224 567481515 /nfs/dbraw/zinc/48/15/15/567481515.db2.gz VMLGAIRQHJWPSO-UHFFFAOYSA-N 0 0 385.670 3.453 10 30 GGEERN CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@](C)(C#N)C1 ZINC000619810083 567481703 /nfs/dbraw/zinc/48/17/03/567481703.db2.gz SNOOSDDAQOECIJ-MRXNPFEDSA-N 0 0 377.290 3.196 10 30 GGEERN N#Cc1cc(Cl)c(C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)c(Cl)c1 ZINC000619819826 567481819 /nfs/dbraw/zinc/48/18/19/567481819.db2.gz VCQFSTMUUIOUNS-MLGOLLRUSA-N 0 0 383.275 3.163 10 30 GGEERN N#CCCCCc1nc(Cc2cc(Br)c3c(c2)OCCO3)no1 ZINC000594541058 567483518 /nfs/dbraw/zinc/48/35/18/567483518.db2.gz XFAMFPYRVSWKKT-UHFFFAOYSA-N 0 0 378.226 3.430 10 30 GGEERN CC1(C#N)CCN(C(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)CC1 ZINC000457707623 567483893 /nfs/dbraw/zinc/48/38/93/567483893.db2.gz YFHVQDLLZLABGG-UHFFFAOYSA-N 0 0 378.263 3.399 10 30 GGEERN N#Cc1nccc(N2CCC[C@@H]2c2ccccc2I)n1 ZINC000594555714 567485001 /nfs/dbraw/zinc/48/50/01/567485001.db2.gz FDBHKPTWUIEYDF-CYBMUJFWSA-N 0 0 376.201 3.294 10 30 GGEERN C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccsc2)cc1 ZINC000529083547 567485178 /nfs/dbraw/zinc/48/51/78/567485178.db2.gz VELBVOQSJPPFTK-KNXALSJPSA-N 0 0 375.475 3.111 10 30 GGEERN C=CCCn1cc(CNc2ccc(Br)c(C(=O)OC)c2C)nn1 ZINC000594549029 567485509 /nfs/dbraw/zinc/48/55/09/567485509.db2.gz VQZLNTVHIZMKAY-UHFFFAOYSA-N 0 0 379.258 3.324 10 30 GGEERN Cc1nn(C)c(C)c1[C@H]1COCCN1c1cc(Br)c(C#N)cc1F ZINC000594571466 567486851 /nfs/dbraw/zinc/48/68/51/567486851.db2.gz GDOKDDIRLFOCND-MRXNPFEDSA-N 0 0 393.260 3.388 10 30 GGEERN Cc1nn(C)c(C)c1[C@@H]1COCCN1c1cc(Br)c(C#N)cc1F ZINC000594571465 567486940 /nfs/dbraw/zinc/48/69/40/567486940.db2.gz GDOKDDIRLFOCND-INIZCTEOSA-N 0 0 393.260 3.388 10 30 GGEERN C[C@@H](NS(=O)(=O)CC1(C#N)CCC1)c1ccc(Br)cc1F ZINC000570552888 567494750 /nfs/dbraw/zinc/49/47/50/567494750.db2.gz HYPCMCXHHUUNJS-SNVBAGLBSA-N 0 0 375.263 3.262 10 30 GGEERN C[C@@]1(Br)C[C@H]1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000529182608 567496206 /nfs/dbraw/zinc/49/62/06/567496206.db2.gz STFJEWWAHPBBAA-BLLLJJGKSA-N 0 0 382.689 3.034 10 30 GGEERN N#Cc1ccc(CC(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)cn1 ZINC000529214718 567498209 /nfs/dbraw/zinc/49/82/09/567498209.db2.gz BUDULORHJWUAOF-SFHVURJKSA-N 0 0 399.292 3.361 10 30 GGEERN C=CCOC[C@H]1NC(=O)N([C@H]2CCCCc3cc(Br)ccc32)C1=O ZINC000663329935 567498574 /nfs/dbraw/zinc/49/85/74/567498574.db2.gz DNPSDRVGZQRZMG-CVEARBPZSA-N 0 0 393.281 3.340 10 30 GGEERN C=CCCn1cc(C[S@](=O)Cc2ncc(Br)cc2Cl)nn1 ZINC000594690578 567498723 /nfs/dbraw/zinc/49/87/23/567498723.db2.gz NXVXQHMTYORYCD-NRFANRHFSA-N 0 0 389.706 3.114 10 30 GGEERN C[C@]1(Br)C[C@@H]1C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000529220660 567499745 /nfs/dbraw/zinc/49/97/45/567499745.db2.gz AVSQHOAJQWPQRM-VYDXJSESSA-N 0 0 396.716 3.222 10 30 GGEERN C[C@H]([C@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503734258 567504074 /nfs/dbraw/zinc/50/40/74/567504074.db2.gz XRVZVZARQZJKSK-SJKOYZFVSA-N 0 0 376.865 3.224 10 30 GGEERN CSC[C@](C)(C#N)NS(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000594727554 567505332 /nfs/dbraw/zinc/50/53/32/567505332.db2.gz PZJVCQOEVGLBPQ-NSHDSACASA-N 0 0 383.720 3.026 10 30 GGEERN CN([C@@](C)(C#N)C1CC1)S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000594729541 567505397 /nfs/dbraw/zinc/50/53/97/567505397.db2.gz XUONBWHXEHQTPY-ZDUSSCGKSA-N 0 0 377.691 3.415 10 30 GGEERN COC(=O)CCCCCNS(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594742771 567506440 /nfs/dbraw/zinc/50/64/40/567506440.db2.gz AINKORLMXJAGEC-UHFFFAOYSA-N 0 0 380.491 3.093 10 30 GGEERN C=CCCCN1C(=O)N[C@@H](Cc2c[nH]c3cccc(Br)c23)C1=O ZINC000479138570 567507689 /nfs/dbraw/zinc/50/76/89/567507689.db2.gz YHBMMIDHFYDNEI-AWEZNQCLSA-N 0 0 376.254 3.360 10 30 GGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc(Br)cc1OC ZINC000437768682 567507857 /nfs/dbraw/zinc/50/78/57/567507857.db2.gz CEHYLNGQPSRYNS-CZUORRHYSA-N 0 0 383.286 3.238 10 30 GGEERN C[C@H](C#N)CN(C1CC1)S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000594766804 567509290 /nfs/dbraw/zinc/50/92/90/567509290.db2.gz XXILDULJUXWVLZ-SECBINFHSA-N 0 0 377.691 3.415 10 30 GGEERN N#CCC1(CNC(=O)c2cnc3c(Cl)cc(Br)cc3c2O)CC1 ZINC000437831360 567510297 /nfs/dbraw/zinc/51/02/97/567510297.db2.gz BAJRULAGBGCJFL-UHFFFAOYSA-N 0 0 394.656 3.368 10 30 GGEERN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCC[C@@H]2COCC[C@@H]21 ZINC000594767722 567510853 /nfs/dbraw/zinc/51/08/53/567510853.db2.gz NFGMXSGQYPQLOX-ZBFHGGJFSA-N 0 0 376.503 3.271 10 30 GGEERN Cc1nsc(N2CCN(C(=O)c3ccsc3C(F)(F)F)CC2)c1C#N ZINC000529405521 567512649 /nfs/dbraw/zinc/51/26/49/567512649.db2.gz XQVCMRQRJWZURZ-UHFFFAOYSA-N 0 0 386.424 3.366 10 30 GGEERN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCO[C@@H](C2CCC2)C1 ZINC000594784360 567514022 /nfs/dbraw/zinc/51/40/22/567514022.db2.gz UYLCVGFJYUEVAT-MRXNPFEDSA-N 0 0 376.503 3.271 10 30 GGEERN CC[C@H](COCC1CC1)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000594801245 567514593 /nfs/dbraw/zinc/51/45/93/567514593.db2.gz LOAXTQBXULNQLR-CYBMUJFWSA-N 0 0 376.400 3.061 10 30 GGEERN N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC(c2ccco2)CC1 ZINC000594799294 567514746 /nfs/dbraw/zinc/51/47/46/567514746.db2.gz LTJJFQDOKMMBLT-UHFFFAOYSA-N 0 0 395.278 3.482 10 30 GGEERN Cn1cc(Br)c2ccc(S(=O)(=O)N3CCC[C@H](CC#N)C3)cc21 ZINC000594807015 567514967 /nfs/dbraw/zinc/51/49/67/567514967.db2.gz SRAFZRQYVYVNHU-GFCCVEGCSA-N 0 0 396.310 3.255 10 30 GGEERN CC[C@H](COCC1CC1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000594800410 567515282 /nfs/dbraw/zinc/51/52/82/567515282.db2.gz FGCFAYAGIJOHBE-CQSZACIVSA-N 0 0 376.400 3.061 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)C[C@H]1CCOC[C@H]1OC ZINC000458028886 567515363 /nfs/dbraw/zinc/51/53/63/567515363.db2.gz GDMLNLLVKQOERT-MLGOLLRUSA-N 0 0 384.270 3.394 10 30 GGEERN Cc1ncc(S(=O)(=O)N2CCc3ccc(Cl)c(Cl)c3C2)cc1C#N ZINC000594810239 567516586 /nfs/dbraw/zinc/51/65/86/567516586.db2.gz UGHZXSSKVHWRPX-UHFFFAOYSA-N 0 0 382.272 3.316 10 30 GGEERN C=CCn1c(N(C)Cc2ccc(Cl)s2)nnc1[C@]1(OCC)CCOC1 ZINC000643697329 567516723 /nfs/dbraw/zinc/51/67/23/567516723.db2.gz QRKJJOGXVFZECI-KRWDZBQOSA-N 0 0 382.917 3.468 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCc2cccc(Br)c2C1 ZINC000437986096 567516854 /nfs/dbraw/zinc/51/68/54/567516854.db2.gz NKNSXARCTMLHPG-WMLDXEAASA-N 0 0 379.298 3.498 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCc3ccc(Br)cc3C2)ccc1F ZINC000551555742 567517260 /nfs/dbraw/zinc/51/72/60/567517260.db2.gz FCZDNCADGOGAOU-UHFFFAOYSA-N 0 0 395.253 3.207 10 30 GGEERN N#CCC1CN(S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000594825894 567517467 /nfs/dbraw/zinc/51/74/67/567517467.db2.gz PLBUAGXLFUGAGV-UHFFFAOYSA-N 0 0 383.189 3.002 10 30 GGEERN N#CCC1CN(S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)C1 ZINC000594828014 567517840 /nfs/dbraw/zinc/51/78/40/567517840.db2.gz XJXMSGZCYPNRID-UHFFFAOYSA-N 0 0 384.082 3.290 10 30 GGEERN C[C@@]1(CCNS(=O)(=O)c2cc(Br)ccc2C#N)CC1(F)F ZINC000594856875 567520536 /nfs/dbraw/zinc/52/05/36/567520536.db2.gz JVBZUQXZYNYECP-GFCCVEGCSA-N 0 0 379.226 3.034 10 30 GGEERN N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H](CCF)C1 ZINC000594855204 567520823 /nfs/dbraw/zinc/52/08/23/567520823.db2.gz CVBGMYQZQJWAFZ-LLVKDONJSA-N 0 0 375.263 3.081 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](CCF)C2)cc1Br ZINC000594858267 567520861 /nfs/dbraw/zinc/52/08/61/567520861.db2.gz SZIUBOWYRZRBCX-NSHDSACASA-N 0 0 375.263 3.081 10 30 GGEERN N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H](CCF)C1 ZINC000594858708 567521019 /nfs/dbraw/zinc/52/10/19/567521019.db2.gz VPKDFNGNUNQZQE-NSHDSACASA-N 0 0 375.263 3.081 10 30 GGEERN CN([C@H](CO)c1cccc(Cl)c1Cl)S(=O)(=O)CC1(C#N)CCCC1 ZINC000594850114 567521077 /nfs/dbraw/zinc/52/10/77/567521077.db2.gz UDXOCKGEWMQSCI-CQSZACIVSA-N 0 0 391.320 3.372 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)c(Cl)c1 ZINC000594851509 567521142 /nfs/dbraw/zinc/52/11/42/567521142.db2.gz BBJZUGKBIVRQRI-HOTGVXAUSA-N 0 0 376.865 3.063 10 30 GGEERN N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H](CCF)C2)c1 ZINC000594857369 567521313 /nfs/dbraw/zinc/52/13/13/567521313.db2.gz PBVUZMRCYBDEHN-LLVKDONJSA-N 0 0 375.263 3.081 10 30 GGEERN COc1ccc(Br)c(S(=O)(=O)NCC2(C#N)CCCCC2)c1 ZINC000594869358 567521863 /nfs/dbraw/zinc/52/18/63/567521863.db2.gz HZTSNCIJRPTZCB-UHFFFAOYSA-N 0 0 387.299 3.210 10 30 GGEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1cc(F)ccc1Br ZINC000504072838 567521820 /nfs/dbraw/zinc/52/18/20/567521820.db2.gz FSTFLAXJSSPWLA-KRWDZBQOSA-N 0 0 399.260 3.466 10 30 GGEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccc(F)cc1Br ZINC000504077083 567521855 /nfs/dbraw/zinc/52/18/55/567521855.db2.gz RAMPWDYVQZHUSQ-KRWDZBQOSA-N 0 0 399.260 3.466 10 30 GGEERN Cc1cc(C)c(S(=O)(=O)NC2(c3cccc(C#N)c3)CCOCC2)s1 ZINC000594865981 567522020 /nfs/dbraw/zinc/52/20/20/567522020.db2.gz VDZOORODHYOBOE-UHFFFAOYSA-N 0 0 376.503 3.221 10 30 GGEERN N#Cc1cccc(C2(NS(=O)(=O)c3cccc(Cl)c3)CCOCC2)c1 ZINC000594860654 567522530 /nfs/dbraw/zinc/52/25/30/567522530.db2.gz ADHCJQLQEUTSMF-UHFFFAOYSA-N 0 0 376.865 3.196 10 30 GGEERN Cc1cc(S(=O)(=O)NC2(c3cccc(C#N)c3)CCOCC2)c(C)s1 ZINC000594864593 567522586 /nfs/dbraw/zinc/52/25/86/567522586.db2.gz RSCPSFOCNZLOMI-UHFFFAOYSA-N 0 0 376.503 3.221 10 30 GGEERN C=CCn1cc(CNC(=O)C(C)(C)[C@@H](O)c2cc(Cl)cc(Cl)c2)nn1 ZINC000529503430 567522794 /nfs/dbraw/zinc/52/27/94/567522794.db2.gz UNZVXBRXOSRYHD-HNNXBMFYSA-N 0 0 383.279 3.147 10 30 GGEERN C=CCC(C)(C)CNC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000551608731 567523227 /nfs/dbraw/zinc/52/32/27/567523227.db2.gz VTRINOONFIWHHD-UHFFFAOYSA-N 0 0 396.329 3.168 10 30 GGEERN COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC2(C#N)CCCCC2)c1F ZINC000594883745 567523821 /nfs/dbraw/zinc/52/38/21/567523821.db2.gz GEYMNMYXISOZQJ-UHFFFAOYSA-N 0 0 388.848 3.018 10 30 GGEERN C=CCn1cc(C(=O)N[C@H]2CCCCc3cc(Br)ccc32)nn1 ZINC000620487953 567524251 /nfs/dbraw/zinc/52/42/51/567524251.db2.gz DAZQGHQVHPHXQB-HNNXBMFYSA-N 0 0 375.270 3.424 10 30 GGEERN CCOC(=O)c1cc(CC)sc1NC(=O)CSc1ccncc1C#N ZINC000594911490 567525798 /nfs/dbraw/zinc/52/57/98/567525798.db2.gz SXBPNJZHFHBACD-UHFFFAOYSA-N 0 0 375.475 3.485 10 30 GGEERN C=CCN(c1ncc(C(=O)OC)s1)S(=O)(=O)c1cccc(C(C)C)c1 ZINC000438395886 567530139 /nfs/dbraw/zinc/53/01/39/567530139.db2.gz KNBQBKHIJDWQGR-UHFFFAOYSA-N 0 0 380.491 3.434 10 30 GGEERN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCNC[C@@H]1C(F)F ZINC000644124348 567535042 /nfs/dbraw/zinc/53/50/42/567535042.db2.gz GGESXPQRCOXDBS-SNVBAGLBSA-N 0 0 376.247 3.403 10 30 GGEERN N#Cc1cccnc1OC1CCC(NC(=O)c2ccc(Br)o2)CC1 ZINC000438618234 567538092 /nfs/dbraw/zinc/53/80/92/567538092.db2.gz DGABYFQUHQHOPK-UHFFFAOYSA-N 0 0 390.237 3.429 10 30 GGEERN Cc1ccc(Br)c(C)c1C(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000551870468 567541204 /nfs/dbraw/zinc/54/12/04/567541204.db2.gz LWXRQWFBYICHKP-UHFFFAOYSA-N 0 0 399.292 3.295 10 30 GGEERN N#CC1(CNC(=O)C(=O)Nc2c(F)cccc2Br)CCCCC1 ZINC000595183442 567547175 /nfs/dbraw/zinc/54/71/75/567547175.db2.gz QWJOJNAJBFJWNN-UHFFFAOYSA-N 0 0 382.233 3.117 10 30 GGEERN N#Cc1ccc([C@H](O)C(=O)N2CC3(CC3)c3ccc(Br)cc32)cc1 ZINC000529821711 567548401 /nfs/dbraw/zinc/54/84/01/567548401.db2.gz NJWKAWBTYJMFIG-KRWDZBQOSA-N 0 0 383.245 3.433 10 30 GGEERN C[C@H](NC(=O)[C@H](C)S(=O)(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000479630990 567548560 /nfs/dbraw/zinc/54/85/60/567548560.db2.gz CUAYSQAXCCQSLU-STQMWFEESA-N 0 0 376.865 3.251 10 30 GGEERN N#Cc1cc(NC(=O)C(=O)N(CCC2CC2)CC2CC2)ccc1Br ZINC000595218161 567548558 /nfs/dbraw/zinc/54/85/58/567548558.db2.gz JUUROXRSGLYDCQ-UHFFFAOYSA-N 0 0 390.281 3.298 10 30 GGEERN C=CCCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000571252715 567549607 /nfs/dbraw/zinc/54/96/07/567549607.db2.gz YXABAKDAVBYKER-UHFFFAOYSA-N 0 0 379.176 3.489 10 30 GGEERN N#C[C@@H](c1ccc(Cl)cc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000595290143 567551370 /nfs/dbraw/zinc/55/13/70/567551370.db2.gz VLENNMQIANTDHW-INIZCTEOSA-N 0 0 395.937 3.409 10 30 GGEERN CCn1c(CNC(=O)c2cnccc2C#N)nc2cc(Br)ccc21 ZINC000571310247 567553708 /nfs/dbraw/zinc/55/37/08/567553708.db2.gz LDDGGILWKCRGHD-UHFFFAOYSA-N 0 0 384.237 3.015 10 30 GGEERN CC(C)[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000595353081 567557201 /nfs/dbraw/zinc/55/72/01/567557201.db2.gz HZLSACFVTKLJAI-QZTJIDSGSA-N 0 0 378.881 3.248 10 30 GGEERN CC(C)[C@H](O)[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000595355115 567557317 /nfs/dbraw/zinc/55/73/17/567557317.db2.gz SBJVMIYVWSUYQI-MSOLQXFVSA-N 0 0 378.881 3.248 10 30 GGEERN COc1cc(C(=O)NCc2ccc(C#N)c(OC)c2)sc1Br ZINC000571368940 567557763 /nfs/dbraw/zinc/55/77/63/567557763.db2.gz KGIXHTOJIZVXIO-UHFFFAOYSA-N 0 0 381.251 3.329 10 30 GGEERN C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000595358299 567558058 /nfs/dbraw/zinc/55/80/58/567558058.db2.gz SYRCQKMEGWOJKU-GFCCVEGCSA-N 0 0 399.310 3.043 10 30 GGEERN CC(C)[C@H](O)[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000595352189 567558281 /nfs/dbraw/zinc/55/82/81/567558281.db2.gz ANCMQGSPVUKUQM-MSOLQXFVSA-N 0 0 378.881 3.248 10 30 GGEERN CN(c1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000595362949 567559235 /nfs/dbraw/zinc/55/92/35/567559235.db2.gz UKEWSGDQNQIOQT-INIZCTEOSA-N 0 0 375.881 3.111 10 30 GGEERN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000595373673 567559491 /nfs/dbraw/zinc/55/94/91/567559491.db2.gz SHOQGBKMEQWKHL-TXEJJXNPSA-N 0 0 376.356 3.485 10 30 GGEERN CN(c1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000595362950 567559502 /nfs/dbraw/zinc/55/95/02/567559502.db2.gz UKEWSGDQNQIOQT-MRXNPFEDSA-N 0 0 375.881 3.111 10 30 GGEERN CCN(C[C@H](C)C#N)C(=O)c1ccc2cc(I)ccc2n1 ZINC000479805024 567560495 /nfs/dbraw/zinc/56/04/95/567560495.db2.gz HMXGEPYEBGGCQO-LLVKDONJSA-N 0 0 393.228 3.461 10 30 GGEERN CCc1c(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)[nH]c(C)c1C(N)=O ZINC000438994609 567560510 /nfs/dbraw/zinc/56/05/10/567560510.db2.gz ZUSPRCBDXMNNSG-GFCCVEGCSA-N 0 0 379.247 3.286 10 30 GGEERN Cc1nocc1CN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000595406474 567562076 /nfs/dbraw/zinc/56/20/76/567562076.db2.gz JQEBQTIILFWWOP-KRWDZBQOSA-N 0 0 375.270 3.128 10 30 GGEERN C[C@@H]1CN(S(=O)(=O)CCC(C)(C)C#N)c2ccc(Br)cc2O1 ZINC000595403768 567562335 /nfs/dbraw/zinc/56/23/35/567562335.db2.gz MSEXHXXMDOWKQB-LLVKDONJSA-N 0 0 387.299 3.306 10 30 GGEERN N#C[C@H](c1ccc(Cl)cc1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000595430175 567563877 /nfs/dbraw/zinc/56/38/77/567563877.db2.gz LNDRYNXPFBGXGW-QZTJIDSGSA-N 0 0 381.929 3.231 10 30 GGEERN C[C@@]1(C#N)CCN(C(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000595480672 567566727 /nfs/dbraw/zinc/56/67/27/567566727.db2.gz ZFQKKGSWESGPSX-HNNXBMFYSA-N 0 0 388.212 3.496 10 30 GGEERN Cn1cc([C@H](NCc2ccc(Br)cc2C#N)C2(CO)CCC2)cn1 ZINC000595491222 567568290 /nfs/dbraw/zinc/56/82/90/567568290.db2.gz CADLBSDLCFSFKN-KRWDZBQOSA-N 0 0 389.297 3.048 10 30 GGEERN CO[C@H](c1ccccc1Cl)[C@@H](C)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000479948126 567570325 /nfs/dbraw/zinc/57/03/25/567570325.db2.gz KEMAOYDPKQFJDW-DIFFPNOSSA-N 0 0 382.844 3.405 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCc2nc(-c3cccs3)c[nH]2)ccc1Cl ZINC000439191066 567570320 /nfs/dbraw/zinc/57/03/20/567570320.db2.gz PYLPRLCXXNQNBL-UHFFFAOYSA-N 0 0 378.866 3.142 10 30 GGEERN N#CCCCCNC(=O)c1ccc2cc(I)ccc2n1 ZINC000479961681 567571574 /nfs/dbraw/zinc/57/15/74/567571574.db2.gz IYHDESQBMUZJSQ-UHFFFAOYSA-N 0 0 379.201 3.263 10 30 GGEERN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CC[C@](C)(C#N)C1 ZINC000595573404 567572623 /nfs/dbraw/zinc/57/26/23/567572623.db2.gz VEAFJPMCQSXCBS-ISTRZQFTSA-N 0 0 380.286 3.470 10 30 GGEERN CS(=O)(=O)c1ccc(CNC(=O)NCC2(C#N)CCCCC2)cc1Cl ZINC000595589989 567572865 /nfs/dbraw/zinc/57/28/65/567572865.db2.gz FTGKPKNJTWCDMY-UHFFFAOYSA-N 0 0 383.901 3.017 10 30 GGEERN CC[C@@H](NC(=O)NCc1cc(F)c(C(F)(F)F)cc1F)[C@@H](O)C(F)F ZINC000458764202 567573038 /nfs/dbraw/zinc/57/30/38/567573038.db2.gz ROQRDBNCGGZJOD-GHMZBOCLSA-N 0 0 376.272 3.187 10 30 GGEERN C[C@@H]1CN(C(=O)NCc2ccc(C#N)c(Cl)c2)C[C@@H](CC(F)(F)F)O1 ZINC000595603046 567574053 /nfs/dbraw/zinc/57/40/53/567574053.db2.gz XCCGPHAFPBIDRC-ZWNOBZJWSA-N 0 0 375.778 3.463 10 30 GGEERN N#CC1(CNC(=O)NCCCCn2cc(Br)cn2)CCCCC1 ZINC000595599796 567574338 /nfs/dbraw/zinc/57/43/38/567574338.db2.gz YZWYYAJPJAJVSQ-UHFFFAOYSA-N 0 0 382.306 3.199 10 30 GGEERN COc1cccc(OC(F)(F)F)c1S(=O)(=O)N[C@@](C)(C#N)C(C)(C)C ZINC000530154452 567575970 /nfs/dbraw/zinc/57/59/70/567575970.db2.gz RGORIIXPKHBBJX-AWEZNQCLSA-N 0 0 380.388 3.200 10 30 GGEERN CC(C)(CC#N)CNC(=O)NCCc1ccc(I)cc1 ZINC000595650314 567577091 /nfs/dbraw/zinc/57/70/91/567577091.db2.gz WRBLMRUVJZSZRS-UHFFFAOYSA-N 0 0 385.249 3.073 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000644785146 567578733 /nfs/dbraw/zinc/57/87/33/567578733.db2.gz RQENCPYXKVNWBK-BONVTDFDSA-N 0 0 377.238 3.024 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000644784977 567579494 /nfs/dbraw/zinc/57/94/94/567579494.db2.gz GHMBVWJRUWEKNX-MKBNYLNASA-N 0 0 383.275 3.054 10 30 GGEERN C[C@H](NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)c1cscn1 ZINC000595751182 567579681 /nfs/dbraw/zinc/57/96/81/567579681.db2.gz WGTTZQAZQGZSMM-LBPRGKRZSA-N 0 0 375.885 3.261 10 30 GGEERN Cc1nsc(NC(=O)c2ccc(F)cc2I)c1C#N ZINC000439296155 567580488 /nfs/dbraw/zinc/58/04/88/567580488.db2.gz KIAXUSKAAVCBLW-UHFFFAOYSA-N 0 0 387.177 3.319 10 30 GGEERN Cc1ccc2c(ncc(C#N)c2NC[C@]2(CCO)CCOC2)c1Br ZINC000480085534 567580588 /nfs/dbraw/zinc/58/05/88/567580588.db2.gz MIPQVXNRAUWYIL-SFHVURJKSA-N 0 0 390.281 3.378 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc2ccccc2c1Br ZINC000644865174 567585217 /nfs/dbraw/zinc/58/52/17/567585217.db2.gz GSJDCGRNDKDAEJ-ZFWWWQNUSA-N 0 0 396.306 3.472 10 30 GGEERN N#C[C@@H]1CN(C(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)CCO1 ZINC000480185744 567585778 /nfs/dbraw/zinc/58/57/78/567585778.db2.gz WYVNYVXYUAIFJN-CQSZACIVSA-N 0 0 377.231 3.497 10 30 GGEERN Cc1ccc2c(c1Br)CN(CC(=O)NC1(C#N)CCCCC1)C2 ZINC000595879970 567588469 /nfs/dbraw/zinc/58/84/69/567588469.db2.gz 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C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000644966728 567595512 /nfs/dbraw/zinc/59/55/12/567595512.db2.gz RRYRRIGUIIWIRA-GLQYFDAESA-N 0 0 381.270 3.163 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000644967436 567595835 /nfs/dbraw/zinc/59/58/35/567595835.db2.gz COIBGOIKGABLIG-LRDDRELGSA-N 0 0 392.297 3.363 10 30 GGEERN C[C@@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1ccc(C#N)cc1F ZINC000530366128 567596680 /nfs/dbraw/zinc/59/66/80/567596680.db2.gz NUKWTFAADGLQRV-HWPZZCPQSA-N 0 0 376.229 3.337 10 30 GGEERN N#CC1(CS(=O)(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)CCC1 ZINC000571978756 567603655 /nfs/dbraw/zinc/60/36/55/567603655.db2.gz HHWVMJYIWRFLOU-OAHLLOKOSA-N 0 0 397.338 3.337 10 30 GGEERN CCN(CC)S(=O)(=O)c1ccc(Sc2nc(C#N)c(Cl)s2)nc1 ZINC000596058842 567604898 /nfs/dbraw/zinc/60/48/98/567604898.db2.gz JXNUNSPQFKBEQQ-UHFFFAOYSA-N 0 0 388.927 3.245 10 30 GGEERN C=CCOc1ccc(C(=O)N[C@@H](C)c2ncc(Br)cn2)cc1OC ZINC000552731184 567605626 /nfs/dbraw/zinc/60/56/26/567605626.db2.gz 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ZINC000440651000 567637099 /nfs/dbraw/zinc/63/70/99/567637099.db2.gz ULNRQQKLWMTFGA-KRWDZBQOSA-N 0 0 376.254 3.070 10 30 GGEERN CCS(=O)(=O)C1(CNc2c(Br)cc(Cl)cc2C#N)CC1 ZINC000596522212 567637312 /nfs/dbraw/zinc/63/73/12/567637312.db2.gz XRVOJRHBWVKTNC-UHFFFAOYSA-N 0 0 377.691 3.353 10 30 GGEERN CN(C)C(=O)N(C)[C@@H]1CCN(c2c(Br)cc(Cl)cc2C#N)C1 ZINC000596519629 567637382 /nfs/dbraw/zinc/63/73/82/567637382.db2.gz ZYGLVMNWOUARAI-GFCCVEGCSA-N 0 0 385.693 3.166 10 30 GGEERN COc1ccc(CCNC(=O)Nc2snc(C)c2C#N)c(Cl)c1OC ZINC000459557249 567637432 /nfs/dbraw/zinc/63/74/32/567637432.db2.gz DFOIAJYZTFJZBN-UHFFFAOYSA-N 0 0 380.857 3.358 10 30 GGEERN CCOC(=O)c1sc([C@H](C)NC(=O)Nc2snc(C)c2C#N)nc1C ZINC000459559296 567637698 /nfs/dbraw/zinc/63/76/98/567637698.db2.gz BDKDACXYJGGFGF-VIFPVBQESA-N 0 0 379.467 3.148 10 30 GGEERN CC(C)C(=O)NCCCNc1c(C#N)cnc2c(Br)cccc21 ZINC000440666258 567638504 /nfs/dbraw/zinc/63/85/04/567638504.db2.gz SGMYIBVQSDBYIL-UHFFFAOYSA-N 0 0 375.270 3.443 10 30 GGEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cc(Br)ccc1O ZINC000506701333 567638732 /nfs/dbraw/zinc/63/87/32/567638732.db2.gz GFLVBBHHJCOHDO-INIZCTEOSA-N 0 0 383.242 3.355 10 30 GGEERN C[C@@]1(C#N)CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000596541486 567638838 /nfs/dbraw/zinc/63/88/38/567638838.db2.gz YABPZAWGQWVUOG-YOEHRIQHSA-N 0 0 381.263 3.044 10 30 GGEERN C[C@]1(C#N)CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000596541483 567638886 /nfs/dbraw/zinc/63/88/86/567638886.db2.gz YABPZAWGQWVUOG-RHSMWYFYSA-N 0 0 381.263 3.044 10 30 GGEERN N#Cc1cc(F)c(NCCN2C[C@@H]3CCCCN3C2=O)cc1Br ZINC000596529533 567639056 /nfs/dbraw/zinc/63/90/56/567639056.db2.gz BYFGDBBLZNANLK-LBPRGKRZSA-N 0 0 381.249 3.162 10 30 GGEERN CCO[C@@H]1C[C@H](Nc2c(C#N)cnc3c(Br)cccc32)[C@H]1OC ZINC000440669815 567639506 /nfs/dbraw/zinc/63/95/06/567639506.db2.gz MNSCBUOSMVGHML-JJRVBVJISA-N 0 0 376.254 3.473 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1N1CCN(CC(F)F)CC1 ZINC000440681879 567639848 /nfs/dbraw/zinc/63/98/48/567639848.db2.gz OIRQHXQQQAEOPA-UHFFFAOYSA-N 0 0 381.224 3.256 10 30 GGEERN CN(C)[C@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccc(Cl)cc1 ZINC000531095237 567640016 /nfs/dbraw/zinc/64/00/16/567640016.db2.gz AXDQPVHKYZFFEH-QGZVFWFLSA-N 0 0 398.315 3.446 10 30 GGEERN COC[C@H]1CN(c2c(C#N)cnc3c(Br)cccc32)C[C@H](C)O1 ZINC000440675177 567639893 /nfs/dbraw/zinc/63/98/93/567639893.db2.gz PVPDAZHXDWBWJE-WCQYABFASA-N 0 0 376.254 3.109 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)c1nc(-c2cccc(I)c2)no1 ZINC000596582289 567641787 /nfs/dbraw/zinc/64/17/87/567641787.db2.gz GTLJLQIYDOTXOI-CYBMUJFWSA-N 0 0 397.216 3.485 10 30 GGEERN CC[C@@H](CC#N)NC(=O)c1ccc2cc(I)ccc2n1 ZINC000480928489 567642631 /nfs/dbraw/zinc/64/26/31/567642631.db2.gz ACPFXUORKLLWMY-LBPRGKRZSA-N 0 0 379.201 3.261 10 30 GGEERN CO[C@@H](c1noc(CC2(C#N)CCOCC2)n1)c1ccc(Br)cc1 ZINC000596591632 567642668 /nfs/dbraw/zinc/64/26/68/567642668.db2.gz UQGKBSYEVQUBRG-OAHLLOKOSA-N 0 0 392.253 3.431 10 30 GGEERN N#CC1(Cc2nc(CCc3ccccc3Br)no2)CCOCC1 ZINC000596586847 567642719 /nfs/dbraw/zinc/64/27/19/567642719.db2.gz FMAQKGDGSZLUJQ-UHFFFAOYSA-N 0 0 376.254 3.480 10 30 GGEERN O=C(NCCOCC(F)(F)F)c1c(F)c(F)c(Br)c(F)c1F ZINC000665906973 567643025 /nfs/dbraw/zinc/64/30/25/567643025.db2.gz STGJQFDVPODIKS-UHFFFAOYSA-N 0 0 398.072 3.314 10 30 GGEERN C[C@H](NC(=O)NC(C)(C)c1cccc(C#N)c1)c1ncc(Br)cn1 ZINC000596606721 567643920 /nfs/dbraw/zinc/64/39/20/567643920.db2.gz VHMVDKKNAOOIBZ-NSHDSACASA-N 0 0 388.269 3.406 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@](O)(C(F)F)C1 ZINC000459659957 567646978 /nfs/dbraw/zinc/64/69/78/567646978.db2.gz NOTLZKZRMFXBGJ-HNNXBMFYSA-N 0 0 391.212 3.248 10 30 GGEERN N#CC1(CNC(=O)N2CCOc3cc(Br)ccc3C2)CCCC1 ZINC000596643943 567647255 /nfs/dbraw/zinc/64/72/55/567647255.db2.gz PMRKCLDAHGOLMB-UHFFFAOYSA-N 0 0 378.270 3.437 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000459661412 567647448 /nfs/dbraw/zinc/64/74/48/567647448.db2.gz QLVTUJSIEJOXHF-NWDGAFQWSA-N 0 0 396.285 3.132 10 30 GGEERN COc1ccc([C@H](C)NC(=O)CC2(C#N)CCOCC2)cc1Br ZINC000596674139 567648315 /nfs/dbraw/zinc/64/83/15/567648315.db2.gz FQFDMGRZISDYEC-LBPRGKRZSA-N 0 0 381.270 3.345 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000459662684 567648890 /nfs/dbraw/zinc/64/88/90/567648890.db2.gz UYOIOAWUIRRKDL-GFCCVEGCSA-N 0 0 391.269 3.416 10 30 GGEERN C[C@@]1(C#N)CCN(C(=O)Nc2cc(Br)ccc2N2CCOCC2)C1 ZINC000596695023 567649596 /nfs/dbraw/zinc/64/95/96/567649596.db2.gz RWSONDLDYLADMH-KRWDZBQOSA-N 0 0 393.285 3.053 10 30 GGEERN CCON1CCC(CC(=O)N[C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000596730936 567650530 /nfs/dbraw/zinc/65/05/30/567650530.db2.gz NYWQUPJFTKMOFO-INIZCTEOSA-N 0 0 380.286 3.184 10 30 GGEERN C=CCCSCCNC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000596715567 567650600 /nfs/dbraw/zinc/65/06/00/567650600.db2.gz GWSYMCVMIGJKJS-UHFFFAOYSA-N 0 0 393.372 3.324 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)NCCc2ccccc2Br)c(F)c1 ZINC000481009278 567650627 /nfs/dbraw/zinc/65/06/27/567650627.db2.gz 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ZINC000553455870 567654740 /nfs/dbraw/zinc/65/47/40/567654740.db2.gz CKGXTENMOWVKJO-DOMZBBRYSA-N 0 0 377.263 3.155 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)N[C@H]2C[C@@H]2c2c(F)cccc2Cl)c(F)c1 ZINC000481048508 567654747 /nfs/dbraw/zinc/65/47/47/567654747.db2.gz MLMVLFJFRAVBGW-LRDDRELGSA-N 0 0 382.819 3.465 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)NCc2sccc2Br)c(F)c1 ZINC000481066552 567655421 /nfs/dbraw/zinc/65/54/21/567655421.db2.gz CCYSYRWVPRGGAM-UHFFFAOYSA-N 0 0 389.271 3.141 10 30 GGEERN C[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)Oc1cccc(Cl)c1 ZINC000481078920 567656926 /nfs/dbraw/zinc/65/69/26/567656926.db2.gz WHUVAFADXRBTAL-LBPRGKRZSA-N 0 0 382.844 3.238 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)N[C@@H]2CCSc3ccc(F)cc32)c(F)c1 ZINC000481079352 567657247 /nfs/dbraw/zinc/65/72/47/567657247.db2.gz XUZRVVLDEQXQQB-MRXNPFEDSA-N 0 0 380.441 3.493 10 30 GGEERN Cn1cc(C#N)cc1C(=O)NC1(c2cccc(Br)c2)CCOCC1 ZINC000531430770 567658328 /nfs/dbraw/zinc/65/83/28/567658328.db2.gz GEBPKVOZPPJATO-UHFFFAOYSA-N 0 0 388.265 3.095 10 30 GGEERN C[C@@]1(C#N)CCN(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)C1 ZINC000596852597 567658489 /nfs/dbraw/zinc/65/84/89/567658489.db2.gz ATCBUOUXBOJTKU-KRWDZBQOSA-N 0 0 388.269 3.461 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc2ccc(Br)cc2n1CC ZINC000622836012 567660053 /nfs/dbraw/zinc/66/00/53/567660053.db2.gz KOYFTMINMRMNNL-AWEZNQCLSA-N 0 0 393.285 3.228 10 30 GGEERN COC(=O)c1c(C)c(NC(=O)N2CC[C@](C)(C#N)C2)ccc1Br ZINC000596872133 567660191 /nfs/dbraw/zinc/66/01/91/567660191.db2.gz RYAVVBQPRFRXAG-MRXNPFEDSA-N 0 0 380.242 3.312 10 30 GGEERN COC(=O)c1cc(NC(=O)N2CC[C@](C)(C#N)C2)cc(Br)c1F ZINC000596876463 567660834 /nfs/dbraw/zinc/66/08/34/567660834.db2.gz LXJVIUGWXSOGNE-OAHLLOKOSA-N 0 0 384.205 3.142 10 30 GGEERN C=C1CCN(C(=O)[C@@H](C)CS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000531509465 567662846 /nfs/dbraw/zinc/66/28/46/567662846.db2.gz VGKVVXSEGPMEKL-ZDUSSCGKSA-N 0 0 386.311 3.038 10 30 GGEERN C[C@H]1[C@H](C(F)(F)F)CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000553528934 567663140 /nfs/dbraw/zinc/66/31/40/567663140.db2.gz GYCCRPHLCOTAAE-WCBMZHEXSA-N 0 0 397.216 3.282 10 30 GGEERN CNC(=O)c1cccc(NC(=O)NCC2(C#N)CCCCC2)c1Br ZINC000596905399 567663723 /nfs/dbraw/zinc/66/37/23/567663723.db2.gz SLISBGXHPOWELV-UHFFFAOYSA-N 0 0 393.285 3.404 10 30 GGEERN C[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)c1ccc(Br)cn1 ZINC000481224952 567663732 /nfs/dbraw/zinc/66/37/32/567663732.db2.gz WOQKHLPHSHQXGM-JTQLQIEISA-N 0 0 398.257 3.035 10 30 GGEERN CC(C)(C)OC(=O)C1CN(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000596909293 567664729 /nfs/dbraw/zinc/66/47/29/567664729.db2.gz TXMQLGBWDITBPH-UHFFFAOYSA-N 0 0 380.242 3.126 10 30 GGEERN COC(=O)C[C@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)C1CC1 ZINC000596908746 567664751 /nfs/dbraw/zinc/66/47/51/567664751.db2.gz PZSVLMZMQSVQPL-GFCCVEGCSA-N 0 0 380.242 3.032 10 30 GGEERN COc1ccc(Sc2nsc(NC(=O)N3CC[C@](C)(C#N)C3)n2)cc1 ZINC000596909076 567664885 /nfs/dbraw/zinc/66/48/85/567664885.db2.gz RCPKJUWECRVYFV-MRXNPFEDSA-N 0 0 375.479 3.465 10 30 GGEERN C[C@]1(C#N)CCN(C(=O)Nc2c(F)cc(I)cc2F)C1 ZINC000596930912 567667335 /nfs/dbraw/zinc/66/73/35/567667335.db2.gz DNUPRWZKQOPYQL-CYBMUJFWSA-N 0 0 391.159 3.337 10 30 GGEERN Cc1cc(NC(=O)c2c(F)cccc2I)n(CCC#N)n1 ZINC000531599896 567668637 /nfs/dbraw/zinc/66/86/37/567668637.db2.gz ZYAQSJARLPFUKE-UHFFFAOYSA-N 0 0 398.179 3.101 10 30 GGEERN Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)c1cscc1C#N ZINC000460004403 567669815 /nfs/dbraw/zinc/66/98/15/567669815.db2.gz JFPLMQUHBSIOAM-UHFFFAOYSA-N 0 0 377.491 3.209 10 30 GGEERN N#Cc1ccc(N2CCN(Cc3c(F)cncc3Br)CC2)c(F)c1 ZINC000596994798 567670241 /nfs/dbraw/zinc/67/02/41/567670241.db2.gz DCWNHAKJCZPIPU-UHFFFAOYSA-N 0 0 393.235 3.316 10 30 GGEERN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1c(C)nnn1CC ZINC000460062703 567671207 /nfs/dbraw/zinc/67/12/07/567671207.db2.gz QJHTVSYUQRHNRX-UHFFFAOYSA-N 0 0 381.249 3.336 10 30 GGEERN C=CCC[C@H](CO)NC(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC000666400269 567672012 /nfs/dbraw/zinc/67/20/12/567672012.db2.gz GNZFFFKOOPEGNG-HIFRSBDPSA-N 0 0 385.327 3.363 10 30 GGEERN C=CCC[C@H](CO)NC(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000666400270 567672169 /nfs/dbraw/zinc/67/21/69/567672169.db2.gz GNZFFFKOOPEGNG-UKRRQHHQSA-N 0 0 385.327 3.363 10 30 GGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000622973644 567673576 /nfs/dbraw/zinc/67/35/76/567673576.db2.gz JIKKLUXTQQZPNV-PHIMTYICSA-N 0 0 379.243 3.299 10 30 GGEERN N#Cc1cscc1C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000572903787 567673899 /nfs/dbraw/zinc/67/38/99/567673899.db2.gz BHAQAJLTVSQKKN-UHFFFAOYSA-N 0 0 377.828 3.010 10 30 GGEERN COC(=O)c1cc(COc2cc(C#N)ccc2I)c(C)o1 ZINC000531693622 567674366 /nfs/dbraw/zinc/67/43/66/567674366.db2.gz ZEVWYROVABLPJB-UHFFFAOYSA-N 0 0 397.168 3.430 10 30 GGEERN C=CCCn1cc(C(=O)N2C[C@H](C)Oc3cc(Br)ccc32)nn1 ZINC000622986632 567674840 /nfs/dbraw/zinc/67/48/40/567674840.db2.gz FKDLBXVRIGUMGQ-NSHDSACASA-N 0 0 377.242 3.044 10 30 GGEERN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCCSCC1 ZINC000507354612 567676902 /nfs/dbraw/zinc/67/69/02/567676902.db2.gz 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567679151 /nfs/dbraw/zinc/67/91/51/567679151.db2.gz YTBUHPSSGSPHGD-SECBINFHSA-N 0 0 384.661 3.192 10 30 GGEERN C[C@H](C#N)CN(C(=O)C(=O)Nc1ccc(Cl)c(Br)c1)C1CC1 ZINC000441944773 567679597 /nfs/dbraw/zinc/67/95/97/567679597.db2.gz XYJVPROJHBWTCM-SECBINFHSA-N 0 0 384.661 3.192 10 30 GGEERN CC(=O)Nc1ccc(Br)cc1NC(=O)CC1(C#N)CCOCC1 ZINC000597058121 567680079 /nfs/dbraw/zinc/68/00/79/567680079.db2.gz VPXMUQIUDYRKGH-UHFFFAOYSA-N 0 0 380.242 3.056 10 30 GGEERN Cc1cccc(S(=O)(=O)N2CCc3cccc(Br)c3C2)c1C#N ZINC000441989672 567681140 /nfs/dbraw/zinc/68/11/40/567681140.db2.gz QEIBETBBHAQMMD-UHFFFAOYSA-N 0 0 391.290 3.376 10 30 GGEERN C=CCOCCCNC(=O)NC1(c2cc(Br)ccc2OC)CC1 ZINC000666515354 567682095 /nfs/dbraw/zinc/68/20/95/567682095.db2.gz ZNXSTZBKMIEVKL-UHFFFAOYSA-N 0 0 383.286 3.339 10 30 GGEERN N#Cc1ccc(OC2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1 ZINC000507551501 567684927 /nfs/dbraw/zinc/68/49/27/567684927.db2.gz MIIUOGYLLJGRSL-UHFFFAOYSA-N 0 0 376.865 3.444 10 30 GGEERN C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC000460374006 567685907 /nfs/dbraw/zinc/68/59/07/567685907.db2.gz GSEZESRFZUFVPL-CYBMUJFWSA-N 0 0 382.917 3.044 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCOc3c(Br)cccc32)ccc1F ZINC000442216414 567685989 /nfs/dbraw/zinc/68/59/89/567685989.db2.gz GPAANRLRUQNQGR-UHFFFAOYSA-N 0 0 397.225 3.048 10 30 GGEERN N#Cc1cc(C(=O)N[C@H](c2nccs2)C(F)(F)F)cnc1C(F)(F)F ZINC000507575718 567688207 /nfs/dbraw/zinc/68/82/07/567688207.db2.gz MMTVJJQPKMSSRN-SECBINFHSA-N 0 0 380.273 3.462 10 30 GGEERN CCOC(=O)COc1c(Br)cc(C)cc1CN1CC(CC#N)C1 ZINC000597203249 567688675 /nfs/dbraw/zinc/68/86/75/567688675.db2.gz IUDSTHUBJSTKFO-UHFFFAOYSA-N 0 0 381.270 3.045 10 30 GGEERN CCOC(=O)COc1c(Br)cc(C)cc1CN1CC[C@](C)(C#N)C1 ZINC000597229455 567689972 /nfs/dbraw/zinc/68/99/72/567689972.db2.gz AQRWZMWKSHULFB-GOSISDBHSA-N 0 0 395.297 3.435 10 30 GGEERN COc1cc(CN2CC[C@@](C)(C#N)C2)cc(I)c1OC ZINC000597231505 567691184 /nfs/dbraw/zinc/69/11/84/567691184.db2.gz YTZCMOBXNMWRSX-HNNXBMFYSA-N 0 0 386.233 3.044 10 30 GGEERN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ccc(C#N)nc2)CC1 ZINC000460558728 567693037 /nfs/dbraw/zinc/69/30/37/567693037.db2.gz YBCSCWCAPLXYAV-CQSZACIVSA-N 0 0 399.292 3.235 10 30 GGEERN COc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)ccc1C#N ZINC000460602474 567693935 /nfs/dbraw/zinc/69/39/35/567693935.db2.gz CZZWMPXIOHXQGE-UHFFFAOYSA-N 0 0 390.193 3.168 10 30 GGEERN N#CC1(CC(=O)Nc2ccc(F)cc2I)CCOCC1 ZINC000597353404 567696260 /nfs/dbraw/zinc/69/62/60/567696260.db2.gz IWIQPGGLJLZUHD-UHFFFAOYSA-N 0 0 388.180 3.079 10 30 GGEERN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)CC1(C#N)CCOCC1 ZINC000597395707 567697393 /nfs/dbraw/zinc/69/73/93/567697393.db2.gz QFTYEJKIBDMYKX-LBPRGKRZSA-N 0 0 383.261 3.346 10 30 GGEERN CC(C)c1nnc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)s1 ZINC000442585334 567697555 /nfs/dbraw/zinc/69/75/55/567697555.db2.gz YUEDNWADBKOCSL-UHFFFAOYSA-N 0 0 375.885 3.149 10 30 GGEERN C=CCn1c(=O)c2ccsc2nc1Sc1ncncc1Br ZINC000481715561 567699002 /nfs/dbraw/zinc/69/90/02/567699002.db2.gz XMKGSPVSASBEGJ-UHFFFAOYSA-N 0 0 381.280 3.348 10 30 GGEERN COC(=O)[C@H](NCc1ccc(Br)cc1C#N)c1cccc(O)c1 ZINC000553918057 567699951 /nfs/dbraw/zinc/69/99/51/567699951.db2.gz RJQLBDNGBWHFSU-MRXNPFEDSA-N 0 0 375.222 3.030 10 30 GGEERN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)CC1(C#N)CCOCC1 ZINC000597471800 567700642 /nfs/dbraw/zinc/70/06/42/567700642.db2.gz SDJFLESHGRDKMM-CXAGYDPISA-N 0 0 395.297 3.352 10 30 GGEERN Cc1cc(Br)c2c(c1)CN(C(=O)CC1(C#N)CCOCC1)CC2 ZINC000597531269 567702855 /nfs/dbraw/zinc/70/28/55/567702855.db2.gz BLNYPJBFILMVLX-UHFFFAOYSA-N 0 0 377.282 3.353 10 30 GGEERN N#CC1(CC(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)CCOCC1 ZINC000597516153 567703143 /nfs/dbraw/zinc/70/31/43/567703143.db2.gz DTVOZBMBWCPNNS-UHFFFAOYSA-N 0 0 382.291 3.352 10 30 GGEERN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC[C@@H](C)C1 ZINC000460800476 567703495 /nfs/dbraw/zinc/70/34/95/567703495.db2.gz CTGZUIHICKLVTG-LBPRGKRZSA-N 0 0 380.290 3.085 10 30 GGEERN N#C[C@@]1(F)CCN(C(=O)Cc2ccc(Br)c(Br)c2)C1 ZINC000597554949 567703968 /nfs/dbraw/zinc/70/39/68/567703968.db2.gz XXJVGJKDOIYEPQ-ZDUSSCGKSA-N 0 0 390.050 3.218 10 30 GGEERN N#Cc1c(Br)cccc1OCC(=O)NC[C@@H]1C[C@H]1c1cccnc1 ZINC000597619097 567709133 /nfs/dbraw/zinc/70/91/33/567709133.db2.gz YZWOXUKKHCYTJI-KBPBESRZSA-N 0 0 386.249 3.014 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(C)cc(I)c1 ZINC000597648763 567709608 /nfs/dbraw/zinc/70/96/08/567709608.db2.gz FZCYKUOMWODNLA-CQSZACIVSA-N 0 0 386.233 3.009 10 30 GGEERN Cc1cc(I)cc(NC(=O)CC2(C#N)CCOCC2)c1 ZINC000597648747 567710295 /nfs/dbraw/zinc/71/02/95/567710295.db2.gz FQGUFLPUKILSOD-UHFFFAOYSA-N 0 0 384.217 3.249 10 30 GGEERN Cc1ccccc1Cc1nc(Cn2c(C)c(Br)cc(C#N)c2=O)no1 ZINC000460934273 567710566 /nfs/dbraw/zinc/71/05/66/567710566.db2.gz AWXDJQHJDZUVGA-UHFFFAOYSA-N 0 0 399.248 3.121 10 30 GGEERN C[C@@H](CC#N)C(=O)N1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000597711859 567712499 /nfs/dbraw/zinc/71/24/99/567712499.db2.gz KPODZBCKNPNJGT-JSGCOSHPSA-N 0 0 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/nfs/dbraw/zinc/74/85/45/567748545.db2.gz VSVJMKJWGGSQOH-MRXNPFEDSA-N 0 0 398.251 3.309 10 30 GGEERN C[C@@H](C(=O)N1CCN(c2ncccc2C#N)CC1)c1cccc(Br)c1 ZINC000461798251 567749173 /nfs/dbraw/zinc/74/91/73/567749173.db2.gz AMXFWFODXNRHGC-CQSZACIVSA-N 0 0 399.292 3.168 10 30 GGEERN COc1cc(C#N)ccc1OCC(=O)NCc1sc(C)cc1Br ZINC000598222463 567749389 /nfs/dbraw/zinc/74/93/89/567749389.db2.gz XVPABLDRXKBDOI-UHFFFAOYSA-N 0 0 395.278 3.395 10 30 GGEERN COc1ccc2c(c1)CCN(C(=O)Cc1ccc(Br)cc1C#N)C2 ZINC000598225685 567749443 /nfs/dbraw/zinc/74/94/43/567749443.db2.gz LFMHWLVRNAOCIG-UHFFFAOYSA-N 0 0 385.261 3.457 10 30 GGEERN N#Cc1ccc(CC(=O)N2CCOC[C@H]2c2cccc(Br)c2)cc1 ZINC000598232717 567749476 /nfs/dbraw/zinc/74/94/76/567749476.db2.gz ZATNFJQSDSLBMM-SFHVURJKSA-N 0 0 385.261 3.463 10 30 GGEERN CCn1c(CNC(=O)c2cc(C#N)ccn2)nc2cc(Br)ccc21 ZINC000508466124 567749510 /nfs/dbraw/zinc/74/95/10/567749510.db2.gz JEWQXBZMXHBWDM-UHFFFAOYSA-N 0 0 384.237 3.015 10 30 GGEERN COCCN(Cc1sccc1Br)C(=O)c1cc(C#N)ccn1 ZINC000508480166 567749704 /nfs/dbraw/zinc/74/97/04/567749704.db2.gz ZUHOKZAKDJKNLW-UHFFFAOYSA-N 0 0 380.267 3.066 10 30 GGEERN N#CC1(CC(=O)N2CCOC[C@H]2c2cccc(Br)c2)CCOCC1 ZINC000598230509 567749750 /nfs/dbraw/zinc/74/97/50/567749750.db2.gz PSCMZEAJZSWKTK-INIZCTEOSA-N 0 0 393.281 3.059 10 30 GGEERN N#Cc1cccc(C2(NC(=O)c3occc3Br)CCOCC2)c1 ZINC000598248210 567751065 /nfs/dbraw/zinc/75/10/65/567751065.db2.gz IRKBATVCKAEIQT-UHFFFAOYSA-N 0 0 375.222 3.349 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1N1CCC(F)(F)[C@@H](CO)C1 ZINC000461873117 567751196 /nfs/dbraw/zinc/75/11/96/567751196.db2.gz ZBOKTYAWJRQJSM-LLVKDONJSA-N 0 0 382.208 3.323 10 30 GGEERN COc1cc(CNC(=O)NCCc2ccc(Br)cc2)ccc1C#N ZINC000574093940 567754474 /nfs/dbraw/zinc/75/44/74/567754474.db2.gz TXLZJIBEFKVUGN-UHFFFAOYSA-N 0 0 388.265 3.371 10 30 GGEERN N#CC1(CNC(=O)CCNC(=O)c2ccc(Br)cc2)CCCCC1 ZINC000598305330 567754912 /nfs/dbraw/zinc/75/49/12/567754912.db2.gz WFVMRPIVPASWKY-UHFFFAOYSA-N 0 0 392.297 3.159 10 30 GGEERN N#CC1(CNC(=O)c2ccc(I)c(O)c2)CCCCC1 ZINC000598310735 567755090 /nfs/dbraw/zinc/75/50/90/567755090.db2.gz LLAMTCBFSQCJGH-UHFFFAOYSA-N 0 0 384.217 3.201 10 30 GGEERN C[C@H](C#N)CN(C1CC1)S(=O)(=O)c1ccc(Br)cc1Cl ZINC000533149028 567755458 /nfs/dbraw/zinc/75/54/58/567755458.db2.gz WZTYSKJVKDZFGI-SECBINFHSA-N 0 0 377.691 3.415 10 30 GGEERN COC(=O)c1cc(Br)cc(C(=O)NCC2(C#N)CCCCC2)c1 ZINC000598314949 567755881 /nfs/dbraw/zinc/75/58/81/567755881.db2.gz BVRWUQUQAQZXEK-UHFFFAOYSA-N 0 0 379.254 3.440 10 30 GGEERN C=CCCCCCNC(=O)C(=O)Nc1ccc2nccnc2c1Br ZINC000574098379 567756568 /nfs/dbraw/zinc/75/65/68/567756568.db2.gz OEZQTQRNVODUCK-UHFFFAOYSA-N 0 0 391.269 3.193 10 30 GGEERN C=CCCc1ccccc1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C ZINC000443417367 567756853 /nfs/dbraw/zinc/75/68/53/567756853.db2.gz KXIROPFPEYFXNX-UHFFFAOYSA-N 0 0 379.503 3.318 10 30 GGEERN CCN(C(=O)c1cnc2c(Cl)cc(Br)cc2c1O)[C@H](C)C#N ZINC000598361895 567758749 /nfs/dbraw/zinc/75/87/49/567758749.db2.gz RTODWCBQUXQMAG-MRVPVSSYSA-N 0 0 382.645 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ZINC000598422338 567764591 /nfs/dbraw/zinc/76/45/91/567764591.db2.gz AYJNQPUIOIIDNX-UHFFFAOYSA-N 0 0 380.189 3.046 10 30 GGEERN C=C[C@](C)(O)CC(=O)N1CCC[C@@H]1c1ccccc1I ZINC000555045001 567765695 /nfs/dbraw/zinc/76/56/95/567765695.db2.gz VTMLTHYTEKLRBW-ZBFHGGJFSA-N 0 0 385.245 3.282 10 30 GGEERN C=CCCO[C@H](C)C(=O)Nc1nc2cc(I)ccc2[nH]1 ZINC000598425518 567766197 /nfs/dbraw/zinc/76/61/97/567766197.db2.gz VPPKHSVFYAHRPM-SECBINFHSA-N 0 0 385.205 3.087 10 30 GGEERN N#Cc1csc(CN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)n1 ZINC000555092409 567767826 /nfs/dbraw/zinc/76/78/26/567767826.db2.gz FXEGHCVZRISXFV-UHFFFAOYSA-N 0 0 381.288 3.280 10 30 GGEERN C=CCn1c(-c2ccccc2Br)nnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000508817949 567767845 /nfs/dbraw/zinc/76/78/45/567767845.db2.gz QMYMPGKWEALQOJ-BETUJISGSA-N 0 0 375.270 3.261 10 30 GGEERN C[C@H](c1ccccc1)[C@H](O)CNC(=O)Cc1ccc(Br)cc1C#N ZINC000598468332 567769894 /nfs/dbraw/zinc/76/98/94/567769894.db2.gz HHEOUDJZGCZFNI-FZKQIMNGSA-N 0 0 387.277 3.144 10 30 GGEERN C=CCn1c(-c2ccc(Br)s2)nnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000508855875 567770454 /nfs/dbraw/zinc/77/04/54/567770454.db2.gz IWTVNJHHAYTWHX-PHIMTYICSA-N 0 0 381.299 3.323 10 30 GGEERN CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)Cc1ccc(Br)cc1C#N ZINC000598492153 567771477 /nfs/dbraw/zinc/77/14/77/567771477.db2.gz RHHKPSQTJSRWTC-YJBOKZPZSA-N 0 0 393.281 3.101 10 30 GGEERN COC(=O)c1sc2c(c1Br)CN(C(=O)c1cc(C#N)oc1C)C2 ZINC000598543274 567774656 /nfs/dbraw/zinc/77/46/56/567774656.db2.gz HTLNXMDYQQHNNL-UHFFFAOYSA-N 0 0 395.234 3.226 10 30 GGEERN COCC1(NC(=O)COc2ccc(C#N)c(Br)c2)CCCCC1 ZINC000598551870 567776027 /nfs/dbraw/zinc/77/60/27/567776027.db2.gz WHISCXQYCLBRNN-UHFFFAOYSA-N 0 0 381.270 3.165 10 30 GGEERN N#Cc1cc(Br)ccc1C(=O)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000598547553 567776040 /nfs/dbraw/zinc/77/60/40/567776040.db2.gz YIJCYIXZSCDQLM-HDICACEKSA-N 0 0 375.266 3.354 10 30 GGEERN COC(=O)c1sc2c(c1Br)CN(C(=O)C1(C#N)CC(C)C1)C2 ZINC000598546135 567776057 /nfs/dbraw/zinc/77/60/57/567776057.db2.gz YJMRMAQBTHXHBY-UHFFFAOYSA-N 0 0 383.267 3.079 10 30 GGEERN C=C(C)Cn1c(C)nnc1N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000555259105 567776512 /nfs/dbraw/zinc/77/65/12/567776512.db2.gz SFCAHZREYULHMZ-UHFFFAOYSA-N 0 0 390.329 3.247 10 30 GGEERN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC2CC1(C)C2 ZINC000598568381 567777336 /nfs/dbraw/zinc/77/73/36/567777336.db2.gz QYMCKNOLGWDTER-UHFFFAOYSA-N 0 0 379.254 3.109 10 30 GGEERN C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)C[C@@](C)(C(F)F)O1 ZINC000598574771 567777672 /nfs/dbraw/zinc/77/76/72/567777672.db2.gz VVCASRGHQYVHFM-HWPZZCPQSA-N 0 0 387.224 3.134 10 30 GGEERN C[C@@H](C#N)CN(C(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C1CC1 ZINC000533598892 567777716 /nfs/dbraw/zinc/77/77/16/567777716.db2.gz CVDQBXSSJUXHRQ-SMDDNHRTSA-N 0 0 380.275 3.497 10 30 GGEERN C[C@@H](CC#N)N(C)S(=O)(=O)NC1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000598621854 567780078 /nfs/dbraw/zinc/78/00/78/567780078.db2.gz OPKLPIGQSUPIDD-LBPRGKRZSA-N 0 0 375.416 3.153 10 30 GGEERN C=C(C)[C@@H](CC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1)OCC ZINC000533680049 567781766 /nfs/dbraw/zinc/78/17/66/567781766.db2.gz RDDBDFMMGQGGCZ-CQSZACIVSA-N 0 0 393.285 3.222 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@H](c2nccs2)C(F)(F)F)cc1Cl ZINC000555413813 567782637 /nfs/dbraw/zinc/78/26/37/567782637.db2.gz KCBQAZSYBVDUPQ-SNVBAGLBSA-N 0 0 381.788 3.250 10 30 GGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CCN(Cc2ccsc2)CC1 ZINC000574511490 567782784 /nfs/dbraw/zinc/78/27/84/567782784.db2.gz XVSMTWPPKAAOKF-INIZCTEOSA-N 0 0 375.567 3.416 10 30 GGEERN COCCN(Cc1sccc1Br)C(=O)c1ncc(C#N)cc1C ZINC000574539711 567784519 /nfs/dbraw/zinc/78/45/19/567784519.db2.gz XWCSLOUTJSTTTE-UHFFFAOYSA-N 0 0 394.294 3.375 10 30 GGEERN CCC[C@]1(C(=O)OCC)CCCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000443991997 567784677 /nfs/dbraw/zinc/78/46/77/567784677.db2.gz XWFQIHRZQIBYEM-QGZVFWFLSA-N 0 0 384.885 3.098 10 30 GGEERN N#Cc1ccnc(C(=O)Nc2cc(F)c(I)c(F)c2)c1 ZINC000555548774 567788153 /nfs/dbraw/zinc/78/81/53/567788153.db2.gz GOFPPKKCCMTOQS-UHFFFAOYSA-N 0 0 385.111 3.088 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000668027056 567790024 /nfs/dbraw/zinc/79/00/24/567790024.db2.gz DLIRFJMYQBUEOK-SJORKVTESA-N 0 0 385.291 3.364 10 30 GGEERN COC(=O)[C@](C)(NC(=O)c1cc(C#N)ccn1)c1ccc(Cl)c(Cl)c1 ZINC000555579089 567790269 /nfs/dbraw/zinc/79/02/69/567790269.db2.gz SYRFEEGLHLHLLH-QGZVFWFLSA-N 0 0 378.215 3.078 10 30 GGEERN CSC[C@@](C)(C#N)NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000598839699 567794338 /nfs/dbraw/zinc/79/43/38/567794338.db2.gz HKLHMNLOJFGJST-MRXNPFEDSA-N 0 0 382.327 3.424 10 30 GGEERN C[C@@H](CC#N)C(=O)N(CCCn1ccnc1)c1ccc(Br)cn1 ZINC000598844764 567794359 /nfs/dbraw/zinc/79/43/59/567794359.db2.gz QLJCLPNHYSLEOY-ZDUSSCGKSA-N 0 0 376.258 3.014 10 30 GGEERN Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)c2ccc(Br)cc2C#N)cn1 ZINC000598868519 567796046 /nfs/dbraw/zinc/79/60/46/567796046.db2.gz CLXQOZXVBSMRPJ-GUYCJALGSA-N 0 0 387.281 3.195 10 30 GGEERN N#C[C@H](NC(=O)[C@@H]1CCCN1c1nccs1)c1ccccc1Br ZINC000598879332 567796895 /nfs/dbraw/zinc/79/68/95/567796895.db2.gz PJNVBSSDPRDKEN-KBPBESRZSA-N 0 0 391.294 3.255 10 30 GGEERN N#C[C@@H](NC(=O)[C@H]1CCCN1CC(F)(F)F)c1ccccc1Br ZINC000598878596 567796976 /nfs/dbraw/zinc/79/69/76/567796976.db2.gz GQTQYVUMHZTFMZ-CHWSQXEVSA-N 0 0 390.203 3.157 10 30 GGEERN CC(C)(C)OC(=O)C(C)(C)C(=O)N[C@H](C#N)c1ccccc1Br ZINC000598879079 567797020 /nfs/dbraw/zinc/79/70/20/567797020.db2.gz LWFCGDUDLOSUFT-CYBMUJFWSA-N 0 0 381.270 3.498 10 30 GGEERN COc1cc(C#N)ccc1OCCN1CCc2nccc(Br)c2C1 ZINC000598944916 567800022 /nfs/dbraw/zinc/80/00/22/567800022.db2.gz CUYHLACACSMBFO-UHFFFAOYSA-N 0 0 388.265 3.161 10 30 GGEERN C=CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](CCF)C1 ZINC000624833003 567801709 /nfs/dbraw/zinc/80/17/09/567801709.db2.gz KXGYHRIEGNVUDO-HNNXBMFYSA-N 0 0 395.276 3.458 10 30 GGEERN C=CCn1c(-c2cn[nH]c2)nnc1N1CCc2cc(Br)cc(C)c2C1 ZINC000624847560 567802580 /nfs/dbraw/zinc/80/25/80/567802580.db2.gz QAKNVOOOSDIFRZ-UHFFFAOYSA-N 0 0 399.296 3.488 10 30 GGEERN COc1cc(CNC(=O)[C@@H](C)Oc2ccccc2Br)ccc1C#N ZINC000574965721 567806652 /nfs/dbraw/zinc/80/66/52/567806652.db2.gz DMKOYVXCZKUIEG-GFCCVEGCSA-N 0 0 389.249 3.413 10 30 GGEERN CS(=O)(=O)c1csc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000534329857 567807703 /nfs/dbraw/zinc/80/77/03/567807703.db2.gz KFESDXKUKLPXHW-UHFFFAOYSA-N 0 0 389.483 3.399 10 30 GGEERN COc1ncc(Br)cc1CNC(=O)NCC1(C#N)CCCCC1 ZINC000599164457 567808555 /nfs/dbraw/zinc/80/85/55/567808555.db2.gz LQPDIPTXOUBEJQ-UHFFFAOYSA-N 0 0 381.274 3.126 10 30 GGEERN COC[C@@]1(C)CN(c2c(C#N)cnc3c(Br)cccc32)CCO1 ZINC000599201006 567810042 /nfs/dbraw/zinc/81/00/42/567810042.db2.gz CJDQHAHWTFGQHR-QGZVFWFLSA-N 0 0 376.254 3.111 10 30 GGEERN CS(=O)(=O)[C@@H]1CN(Cc2cc(C(F)(F)F)ccc2F)C[C@H]1C(F)(F)F ZINC000668469737 567810389 /nfs/dbraw/zinc/81/03/89/567810389.db2.gz KUTQDHSZQKQPNO-ZYHUDNBSSA-N 0 0 393.324 3.252 10 30 GGEERN C=CCOc1c(Br)cc(CN2CN(C)C(=O)[C@@H]2C)cc1OCC ZINC000648075986 567813056 /nfs/dbraw/zinc/81/30/56/567813056.db2.gz WHTCIEQJPSTNRA-LBPRGKRZSA-N 0 0 383.286 3.033 10 30 GGEERN COc1ccc(CSCCOc2ccc(S(C)(=O)=O)cc2)cc1C#N ZINC000534681358 567815864 /nfs/dbraw/zinc/81/58/64/567815864.db2.gz UYCFDQRKNVSGHU-UHFFFAOYSA-N 0 0 377.487 3.283 10 30 GGEERN COC(=O)c1ccc(C(=O)N=C(NCc2cccnc2)Nc2ccccc2)cc1 ZINC000046127066 570210284 /nfs/dbraw/zinc/21/02/84/570210284.db2.gz ANPQMOTYNPHKPK-UHFFFAOYSA-N 0 0 388.427 3.266 10 30 GGEERN COc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccccc2)cc1OC ZINC000046128827 570210836 /nfs/dbraw/zinc/21/08/36/570210836.db2.gz NUQJVUUNYHLHRY-KRWDZBQOSA-N 0 0 383.448 3.081 10 30 GGEERN COc1cc(OC)cc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccccc2C)c1 ZINC000046129337 570211003 /nfs/dbraw/zinc/21/10/03/570211003.db2.gz NUYQLLCRZPQOGP-QGZVFWFLSA-N 0 0 397.475 3.389 10 30 GGEERN COc1cccc(NC(=NC(=O)c2cccc(N(C)C)c2)NC[C@@H]2CCCO2)c1 ZINC000046129506 570211028 /nfs/dbraw/zinc/21/10/28/570211028.db2.gz WLQDVJVQAZGBEP-FQEVSTJZSA-N 0 0 396.491 3.138 10 30 GGEERN CC(=O)Nc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(C)cc2)cc1 ZINC000046130323 570211283 /nfs/dbraw/zinc/21/12/83/570211283.db2.gz IITRAYUUNVEZHE-HXUWFJFHSA-N 0 0 394.475 3.330 10 30 GGEERN COC(=O)c1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(C)cc2)cc1 ZINC000046130383 570211369 /nfs/dbraw/zinc/21/13/69/570211369.db2.gz RVMVWIHRFGDAOB-LJQANCHMSA-N 0 0 395.459 3.159 10 30 GGEERN CC(=O)Nc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cccc(C)c2)cc1 ZINC000046130483 570211632 /nfs/dbraw/zinc/21/16/32/570211632.db2.gz UULBEZNWFMQIPP-FQEVSTJZSA-N 0 0 394.475 3.330 10 30 GGEERN CCOc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(OC)cc2)cc1 ZINC000046130956 570211697 /nfs/dbraw/zinc/21/16/97/570211697.db2.gz SLQAHDARQXUFSI-HXUWFJFHSA-N 0 0 397.475 3.471 10 30 GGEERN CN(C)c1cccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(F)cc2)c1 ZINC000046132006 570212019 /nfs/dbraw/zinc/21/20/19/570212019.db2.gz ZIDZTXJMTUCQFO-IBGZPJMESA-N 0 0 384.455 3.269 10 30 GGEERN CCc1ccc(NC(=NC(=O)c2ccc3c(c2)OCO3)NC[C@@H]2CCCO2)cc1 ZINC000046133325 570212201 /nfs/dbraw/zinc/21/22/01/570212201.db2.gz BIOTWJCANNMFMG-SFHVURJKSA-N 0 0 395.459 3.355 10 30 GGEERN Cc1ccc(C(=O)N=C(NCCN2CCOCC2)Nc2cc(C)cc(C)c2)cc1 ZINC000046134569 570212425 /nfs/dbraw/zinc/21/24/25/570212425.db2.gz ZBBSVEORTFIWHZ-UHFFFAOYSA-N 0 0 394.519 3.142 10 30 GGEERN Cc1ccc(C(=O)N=C(NCCN2CCOCC2)Nc2ccc(C)c(C)c2)cc1 ZINC000046133823 570212474 /nfs/dbraw/zinc/21/24/74/570212474.db2.gz DXPWNTXFTVWVNG-UHFFFAOYSA-N 0 0 394.519 3.142 10 30 GGEERN COc1cc(NC(=NC(=O)c2ccc(C)cc2)NC[C@H]2CCCO2)cc(OC)c1 ZINC000046132486 570213004 /nfs/dbraw/zinc/21/30/04/570213004.db2.gz LQADQMLLHVOSLL-GOSISDBHSA-N 0 0 397.475 3.389 10 30 GGEERN COc1ccc(NC(=NC(=O)c2ccccc2)NC[C@H]2CCCO2)cc1OC ZINC000046132375 570213094 /nfs/dbraw/zinc/21/30/94/570213094.db2.gz STKRQQWXUOXGGT-QGZVFWFLSA-N 0 0 383.448 3.081 10 30 GGEERN O=C(Cc1ccc(F)cc1)N1CCC[C@@H](C(=O)Nc2n[nH]c(C(F)(F)F)n2)C1 ZINC000048234419 570221009 /nfs/dbraw/zinc/22/10/09/570221009.db2.gz ZPRFGISJWVEVRL-LLVKDONJSA-N 0 0 399.348 3.032 10 30 GGEERN Cc1ccccc1C(=O)NC1CCN(c2cc(C#N)cc([N+](=O)[O-])c2C)CC1 ZINC000048290892 570229171 /nfs/dbraw/zinc/22/91/71/570229171.db2.gz WHFKKPAVUULJIE-UHFFFAOYSA-N 0 0 378.432 3.482 10 30 GGEERN Cc1c([N+](=O)[O-])cc(C#N)cc1N1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000048279128 570230990 /nfs/dbraw/zinc/23/09/90/570230990.db2.gz HBPDYCOQTAQNJP-UHFFFAOYSA-N 0 0 392.459 3.493 10 30 GGEERN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)Nc1cccc(C)c1C ZINC000014183579 570243588 /nfs/dbraw/zinc/24/35/88/570243588.db2.gz SASYIGJLBUWGBZ-QHCPKHFHSA-N 0 0 389.455 3.407 10 30 GGEERN COCCC[NH+]=C(Nc1cccc(C(=O)[O-])c1)N1CCN(c2ccccc2)CC1 ZINC000015786596 570253858 /nfs/dbraw/zinc/25/38/58/570253858.db2.gz KNHJTZVYPBHVCX-UHFFFAOYSA-N 0 0 396.491 3.011 10 30 GGEERN CC(C)(O)C#Cc1ccc(CN2CCc3nc(-c4cccnc4)[nH]c3C2)s1 ZINC000216415136 570263013 /nfs/dbraw/zinc/26/30/13/570263013.db2.gz CWHWOOYJWKTOLR-UHFFFAOYSA-N 0 0 378.501 3.214 10 30 GGEERN COc1cc(OC)cc(N2CC[C@H](CNC(=O)Nc3cccc(C#N)c3)C2)c1 ZINC000150836842 570264515 /nfs/dbraw/zinc/26/45/15/570264515.db2.gz RGVJWBBDRDXAOE-MRXNPFEDSA-N 0 0 380.448 3.223 10 30 GGEERN C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(Cc2cn3ccccc3c2C#N)C1=O ZINC000012853110 570266961 /nfs/dbraw/zinc/26/69/61/570266961.db2.gz ABMQKANTNXXDER-FQEVSTJZSA-N 0 0 380.354 3.056 10 30 GGEERN COc1cc(/C=N/Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000002016941 570272019 /nfs/dbraw/zinc/27/20/19/570272019.db2.gz XOHRDYUXXXTNQL-SRZZPIQSSA-N 0 0 375.421 3.357 10 30 GGEERN C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000035262658 570278424 /nfs/dbraw/zinc/27/84/24/570278424.db2.gz YCPFCJIUPTZMCZ-WMZOPIPTSA-N 0 0 376.460 3.236 10 30 GGEERN C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012913857 570292153 /nfs/dbraw/zinc/29/21/53/570292153.db2.gz YCPFCJIUPTZMCZ-FUHWJXTLSA-N 0 0 376.460 3.236 10 30 GGEERN C=CCOc1ccccc1CN(CC(=O)N1CCNC1=O)c1ccc(C)c(C)c1 ZINC000023015668 570297671 /nfs/dbraw/zinc/29/76/71/570297671.db2.gz ONLGJYICHHFXSE-UHFFFAOYSA-N 0 0 393.487 3.427 10 30 GGEERN COc1ccc(C=NN2CCN(Cc3ccc(C)cc3C)CC2)c(OC)c1OC ZINC000263625713 570311377 /nfs/dbraw/zinc/31/13/77/570311377.db2.gz FXRBQLRLVJRRNY-UHFFFAOYSA-N 0 0 397.519 3.481 10 30 GGEERN C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000023437942 570323560 /nfs/dbraw/zinc/32/35/60/570323560.db2.gz YUHLIFPIFTVKGU-MRXNPFEDSA-N 0 0 383.879 3.323 10 30 GGEERN CC(C)c1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000013015772 570418382 /nfs/dbraw/zinc/41/83/82/570418382.db2.gz SYJJUFGMLUZAQR-MRXNPFEDSA-N 0 0 399.516 3.180 10 30 GGEERN C=CCN(CCOc1ccccc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000013014240 570418730 /nfs/dbraw/zinc/41/87/30/570418730.db2.gz MCGRZKYVCXGIMH-UHFFFAOYSA-N 0 0 388.489 3.209 10 30 GGEERN COc1cccc([C@@H]2[C@H](Oc3cccc(C#N)c3)C(=O)N2C[C@H]2CCCO2)c1 ZINC000248182650 570449233 /nfs/dbraw/zinc/44/92/33/570449233.db2.gz FLIKPLKQWZUDRQ-NJYVYQBISA-N 0 0 378.428 3.077 10 30 GGEERN COc1ccc(C=Nn2cc(-c3ccccc3)nc2N(C(C)=O)C(C)=O)cc1 ZINC000001952970 570450887 /nfs/dbraw/zinc/45/08/87/570450887.db2.gz VIATXEZQVYVSNP-UHFFFAOYSA-N 0 0 376.416 3.340 10 30 GGEERN N#Cc1ccc(N2CCC(C(=O)Nc3cc4c(cc3Cl)OCO4)CC2)nc1 ZINC000024148098 570460953 /nfs/dbraw/zinc/46/09/53/570460953.db2.gz RSNUSDKIHSXGRC-UHFFFAOYSA-N 0 0 384.823 3.190 10 30 GGEERN C#CCOc1ccccc1CNC(=O)Nc1ccc(F)c(N2CCCC2=O)c1 ZINC000072285294 570475157 /nfs/dbraw/zinc/47/51/57/570475157.db2.gz OWVKZWYUYWPMRM-UHFFFAOYSA-N 0 0 381.407 3.286 10 30 GGEERN C=CCOc1ccc(-c2nc3c(c(=O)[nH]c(=O)n3CCC)n2CCCC)cc1 ZINC000006567023 570478808 /nfs/dbraw/zinc/47/88/08/570478808.db2.gz OETQMZRKVFYHRH-UHFFFAOYSA-N 0 0 382.464 3.328 10 30 GGEERN Cc1sc2[nH]c([C@H](C)N3CCc4c(sc(N)c4C#N)C3)nc(=O)c2c1C ZINC000089562896 570493802 /nfs/dbraw/zinc/49/38/02/570493802.db2.gz YTVKNYAPPNKHRU-VIFPVBQESA-N 0 0 385.518 3.236 10 30 GGEERN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CC(OCc2cccc3ccccc32)C1 ZINC000072308929 570529124 /nfs/dbraw/zinc/52/91/24/570529124.db2.gz VUUWCSVLUNXROH-GAJHUEQPSA-N 0 0 379.504 3.484 10 30 GGEERN C=CCOC[C@H](O)CN(Cc1ccccc1F)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147137 570548871 /nfs/dbraw/zinc/54/88/71/570548871.db2.gz RFQYNKRSVZKKNU-RTWAWAEBSA-N 0 0 398.478 3.384 10 30 GGEERN C=CCn1c(=O)[nH]c2nc3cc(NC(=O)CCCCCC)c(C)cc3nc2c1=O ZINC000006733124 570557555 /nfs/dbraw/zinc/55/75/55/570557555.db2.gz WCDMENPTIGMWLU-UHFFFAOYSA-N 0 0 395.463 3.036 10 30 GGEERN COc1ccc(C=NNc2nnc(SCC(=O)OC3CCCCC3)[nH]2)cc1 ZINC000009695127 570560721 /nfs/dbraw/zinc/56/07/21/570560721.db2.gz QYQJPVNPNLSOTF-YBFXNURJSA-N 0 0 389.481 3.227 10 30 GGEERN C=CCN1CCN(C(=O)NC2(CC(=O)OCC)CCCCC2)c2cccnc21 ZINC000064929569 570595668 /nfs/dbraw/zinc/59/56/68/570595668.db2.gz NOHOYUHYKRHWQR-UHFFFAOYSA-N 0 0 386.496 3.260 10 30 GGEERN C#CCN(C(=O)N[C@H](C)c1cccc(NS(C)(=O)=O)c1)C1CCCCC1 ZINC000062489261 570646203 /nfs/dbraw/zinc/64/62/03/570646203.db2.gz VZEMFZIEYRZEKB-OAHLLOKOSA-N 0 0 377.510 3.097 10 30 GGEERN Cc1[n-]n(Cc2ccccc2)c(=O)c1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)C#N ZINC000000848863 570661875 /nfs/dbraw/zinc/66/18/75/570661875.db2.gz SJSYEZFNLZPPOT-UXHICEINSA-N 0 0 387.399 3.376 10 30 GGEERN Cc1ccc(-n2c3ncn(Cc4ccccc4C#N)c3c(=O)n(C(C)C)c2=O)cc1 ZINC000034694372 570692482 /nfs/dbraw/zinc/69/24/82/570692482.db2.gz YCGKGAZKDKBXTQ-UHFFFAOYSA-N 0 0 399.454 3.158 10 30 GGEERN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCN(C)c2nc3ccccc3nc21 ZINC000017364668 570704913 /nfs/dbraw/zinc/70/49/13/570704913.db2.gz OKIFEXYGZLJIIE-OAHLLOKOSA-N 0 0 387.443 3.142 10 30 GGEERN N#CC1(NC(=O)CNc2cc(Cl)ccc2OC[C@H]2CCCO2)CCCC1 ZINC000058277853 570724167 /nfs/dbraw/zinc/72/41/67/570724167.db2.gz GYWIGNHDGIPUDL-OAHLLOKOSA-N 0 0 377.872 3.262 10 30 GGEERN C=CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2nc(SCC=C)[nH]c(=O)c21 ZINC000086057979 570733189 /nfs/dbraw/zinc/73/31/89/570733189.db2.gz BETBHZDLSYOQHV-ZDUSSCGKSA-N 0 0 399.472 3.096 10 30 GGEERN Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1cccc(NC(=O)C(C)C)c1 ZINC000013019164 570742302 /nfs/dbraw/zinc/74/23/02/570742302.db2.gz RRIOUNSIEOPADF-UHFFFAOYSA-N 0 0 395.507 3.257 10 30 GGEERN N#Cc1ccccc1Sc1ccccc1C(=O)NCCC(=O)N1CCCC1 ZINC000032721347 570761504 /nfs/dbraw/zinc/76/15/04/570761504.db2.gz PREVWOXIWPJXGT-UHFFFAOYSA-N 0 0 379.485 3.452 10 30 GGEERN N#Cc1ccc(N2CCC(NC(=O)C[C@H]3OCCc4ccccc43)CC2)cc1 ZINC000583652261 570805426 /nfs/dbraw/zinc/80/54/26/570805426.db2.gz VNUTVKMSRVZSSO-JOCHJYFZSA-N 0 0 375.472 3.347 10 30 GGEERN CCOC(=O)c1cc(C#N)c(SCC(=O)N2[C@H](C)CCC[C@@H]2C)nc1C ZINC000018208996 570810346 /nfs/dbraw/zinc/81/03/46/570810346.db2.gz XTLYIIVZPYHQMB-BETUJISGSA-N 0 0 375.494 3.320 10 30 GGEERN CCOc1ccc(N2C(=O)C[C@H](Sc3nc4c(cc3C#N)CCC4)C2=O)cc1 ZINC000101204019 570816622 /nfs/dbraw/zinc/81/66/22/570816622.db2.gz JGLKCHSJPZYITD-SFHVURJKSA-N 0 0 393.468 3.265 10 30 GGEERN COCCCn1c(Sc2ccc(C#N)cn2)nc2sc3c(c2c1=O)CCC3 ZINC000012522648 570829077 /nfs/dbraw/zinc/82/90/77/570829077.db2.gz PDAJFDSZKAYCKC-UHFFFAOYSA-N 0 0 398.513 3.401 10 30 GGEERN COC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2)SC(=Cc2cccc(O)c2)C1=O ZINC000101728087 570831627 /nfs/dbraw/zinc/83/16/27/570831627.db2.gz PAENLCCQAVZPIJ-XNTDXEJSSA-N 0 0 398.396 3.454 10 30 GGEERN N#Cc1ccc(CN2CCN(C(=O)c3c[nH]nc3-c3ccc(F)cc3)CC2)cc1 ZINC000012530442 570833813 /nfs/dbraw/zinc/83/38/13/570833813.db2.gz MNFIRMTUGWKVEW-UHFFFAOYSA-N 0 0 389.434 3.045 10 30 GGEERN N#Cc1ccc(C(=O)N[C@H](c2nnc(N3CCCCC3)o2)c2ccccc2)cc1 ZINC000065209581 570847132 /nfs/dbraw/zinc/84/71/32/570847132.db2.gz WEVWTPIKAUSMHR-IBGZPJMESA-N 0 0 387.443 3.451 10 30 GGEERN CCOC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1c(C)nn2CCC#N ZINC000003306048 570854619 /nfs/dbraw/zinc/85/46/19/570854619.db2.gz SYJXSLUBRLRMKP-UHFFFAOYSA-N 0 0 392.415 3.268 10 30 GGEERN COC(=O)c1sc(N2CCN(Cc3ccc(C#N)cc3)C[C@H]2C)nc1Cl ZINC000170596346 570854730 /nfs/dbraw/zinc/85/47/30/570854730.db2.gz PYVOSDJSPHOBFM-GFCCVEGCSA-N 0 0 390.896 3.165 10 30 GGEERN COc1ccc2nc(C(=O)O[C@H](C)C(=O)Nc3cccc(C#N)c3)ccc2c1 ZINC000032868698 570861726 /nfs/dbraw/zinc/86/17/26/570861726.db2.gz YHELVMAJWJLELP-CYBMUJFWSA-N 0 0 375.384 3.299 10 30 GGEERN COc1ccc(C)cc1CN(C)C(=O)C1CCN(c2ccc(C#N)cn2)CC1 ZINC000032879718 570882181 /nfs/dbraw/zinc/88/21/81/570882181.db2.gz VYAWYSKQEDYUKR-UHFFFAOYSA-N 0 0 378.476 3.145 10 30 GGEERN Cc1cc(C)cc(OCCN(C)C(=O)C2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000032882006 570883770 /nfs/dbraw/zinc/88/37/70/570883770.db2.gz TWEUQMIZKUPRID-UHFFFAOYSA-N 0 0 392.503 3.324 10 30 GGEERN C=CCc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)cc(OC)c1O ZINC000103787243 570889015 /nfs/dbraw/zinc/88/90/15/570889015.db2.gz CYXIAZYCGFUGTL-YVLHZVERSA-N 0 0 382.391 3.361 10 30 GGEERN COCCN=C1Nc2ccccc2N[C@]12CCCN(C(=O)c1ccsc1)C2 ZINC000097096583 570891850 /nfs/dbraw/zinc/89/18/50/570891850.db2.gz IVQPTZZZMKMWHY-FQEVSTJZSA-N 0 0 384.505 3.305 10 30 GGEERN C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nc(=O)c2cccnc21 ZINC000033268495 570892411 /nfs/dbraw/zinc/89/24/11/570892411.db2.gz LGACIXWSQRVRPI-UHFFFAOYSA-N 0 0 380.473 3.271 10 30 GGEERN COc1cc(SC)ccc1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000016149098 570915501 /nfs/dbraw/zinc/91/55/01/570915501.db2.gz WYUGFNXBRNZGKI-IBGZPJMESA-N 0 0 381.501 3.440 10 30 GGEERN CCCCn1c2nc(-c3ccccc3C#N)n(CCC(C)C)c2c(=O)[nH]c1=O ZINC000089955472 570921640 /nfs/dbraw/zinc/92/16/40/570921640.db2.gz CSHRHGUOGYOQGN-UHFFFAOYSA-N 0 0 379.464 3.271 10 30 GGEERN C(=Nn1c(-c2ccc3c(c2)OCCO3)csc1=NC1CC1)c1ccccn1 ZINC000252452658 570958855 /nfs/dbraw/zinc/95/88/55/570958855.db2.gz UQPHSOCBTBMGIB-UHFFFAOYSA-N 0 0 378.457 3.328 10 30 GGEERN CCCCNC(=O)c1c(N)n(N=Cc2ccco2)c2nc3ccccc3nc21 ZINC000252452563 570958879 /nfs/dbraw/zinc/95/88/79/570958879.db2.gz OZBMPBOIWAQOPI-UHFFFAOYSA-N 0 0 376.420 3.172 10 30 GGEERN COc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(C#N)cc2)c(OC)c1OC ZINC000012698753 570965237 /nfs/dbraw/zinc/96/52/37/570965237.db2.gz GVTKOTBRZRLTOG-AWEZNQCLSA-N 0 0 383.448 3.043 10 30 GGEERN C[C@@H](Sc1nc(N)c(-c2nc(-c3ccccc3)cs2)cc1C#N)C(N)=O ZINC000012700298 570966197 /nfs/dbraw/zinc/96/61/97/570966197.db2.gz AJRSDMZZBJSSMP-SNVBAGLBSA-N 0 0 381.486 3.292 10 30 GGEERN CN(C)/C=C(/C(=O)c1ccc(F)cc1F)c1nnnn1-c1ccc(Cl)cc1 ZINC000106592241 570966527 /nfs/dbraw/zinc/96/65/27/570966527.db2.gz RMXRRHPVAYMCJC-GDNBJRDFSA-N 0 0 389.793 3.379 10 30 GGEERN Fc1cccc(Cl)c1/C=N/N=C(\c1ccccc1)C12CN3CN(CN(C3)C1)C2 ZINC000019326185 570974440 /nfs/dbraw/zinc/97/44/40/570974440.db2.gz SBVDCUXIPJFADN-MDWUHBKQSA-N 0 0 397.885 3.108 10 30 GGEERN CC(=O)Nc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cccc(C)c2)c1 ZINC000046130563 570987897 /nfs/dbraw/zinc/98/78/97/570987897.db2.gz KGSSMHDRDPOPAZ-HXUWFJFHSA-N 0 0 394.475 3.330 10 30 GGEERN N#CCOn1c(=O)c2ccccc2nc1NN=Cc1ccc(Cl)c(Cl)c1 ZINC000585166479 570994429 /nfs/dbraw/zinc/99/44/29/570994429.db2.gz YSVPQLHKELGLBG-UHFFFAOYSA-N 0 0 388.214 3.101 10 30 GGEERN CC(C)(C)c1cc(NC(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)on1 ZINC000170657136 571000619 /nfs/dbraw/zinc/00/06/19/571000619.db2.gz BKMMKCMRNZDSGL-UHFFFAOYSA-N 0 0 384.823 3.451 10 30 GGEERN COc1cccc(NC(=NC(=O)c2cccc(OC)c2)NCc2ccncc2)c1 ZINC000045940619 571001804 /nfs/dbraw/zinc/00/18/04/571001804.db2.gz WDCIOBHVEJYZAL-UHFFFAOYSA-N 0 0 390.443 3.497 10 30 GGEERN COc1cccc(N=C2S[C@H](C(=O)Nc3ccccc3OC)CC(=O)N2C)c1 ZINC000252594499 571003293 /nfs/dbraw/zinc/00/32/93/571003293.db2.gz BSPKIIPGXPCTJH-KRWDZBQOSA-N 0 0 399.472 3.294 10 30 GGEERN COc1ccccc1N=C1S[C@H](C(=O)Nc2ccccc2F)CC(=O)N1C ZINC000252601228 571005650 /nfs/dbraw/zinc/00/56/50/571005650.db2.gz DYFUJIABGIRPTN-INIZCTEOSA-N 0 0 387.436 3.424 10 30 GGEERN N#Cc1ccc(OCc2ccc(C=NNS(=O)(=O)c3ccccc3)o2)cc1 ZINC000252601261 571005657 /nfs/dbraw/zinc/00/56/57/571005657.db2.gz DYWBBCSUVKBETB-UHFFFAOYSA-N 0 0 381.413 3.043 10 30 GGEERN CC[C@]1(c2ccccc2)NC(=O)N(Cc2c(C#N)c(C)nn2-c2ccccc2)C1=O ZINC000015520038 571010502 /nfs/dbraw/zinc/01/05/02/571010502.db2.gz KEAIGUGAUJPMSR-HSZRJFAPSA-N 0 0 399.454 3.410 10 30 GGEERN COC(=O)c1ccc(C(=O)N=C(NCc2ccccn2)Nc2ccccc2)cc1 ZINC000046125197 571023928 /nfs/dbraw/zinc/02/39/28/571023928.db2.gz ANBXUDOJSAGHQE-UHFFFAOYSA-N 0 0 388.427 3.266 10 30 GGEERN CC(=O)Nc1cccc(C(=O)N=C(NCc2ccccn2)Nc2ccccc2)c1 ZINC000046125203 571023992 /nfs/dbraw/zinc/02/39/92/571023992.db2.gz ISEHWHHSTWNFPW-UHFFFAOYSA-N 0 0 387.443 3.438 10 30 GGEERN N#Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000012771331 571025679 /nfs/dbraw/zinc/02/56/79/571025679.db2.gz PIEYLLOKPPJVSE-UHFFFAOYSA-N 0 0 379.441 3.019 10 30 GGEERN COc1ccc(-c2nc(CN(C)S(=O)(=O)Cc3ccccc3C#N)co2)cc1 ZINC000012774091 571027513 /nfs/dbraw/zinc/02/75/13/571027513.db2.gz UUPZWIGNWMBHGY-UHFFFAOYSA-N 0 0 397.456 3.184 10 30 GGEERN COc1ccc(-c2n[nH]cc2C=NNS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000252622342 571034070 /nfs/dbraw/zinc/03/40/70/571034070.db2.gz NTFIDZRYJAJSIT-UHFFFAOYSA-N 0 0 390.852 3.051 10 30 GGEERN C=C(C)CN(CC)C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000012785265 571038364 /nfs/dbraw/zinc/03/83/64/571038364.db2.gz KBBMUZFBHTXLQR-UHFFFAOYSA-N 0 0 398.528 3.472 10 30 GGEERN COc1ccc(Br)cc1S(=O)(=O)N(CC#N)Cc1ccccc1 ZINC000054420720 1406728750 /nfs/dbraw/zinc/72/87/50/1406728750.db2.gz GAKMIAPXHNREHK-UHFFFAOYSA-N 0 0 395.278 3.172 10 30 GGEERN 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3.358 10 30 GGEERN C=CCc1cc(C(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc(OC)c1OC ZINC000008723821 1398845153 /nfs/dbraw/zinc/84/51/53/1398845153.db2.gz MJMBILDBRMEGDQ-UHFFFAOYSA-N 0 0 386.423 3.282 10 30 GGEERN COc1cc(/C=C/C(=O)c2cccc(N3CCOCC3)c2)cc(OC)c1OC ZINC000011334540 1398971032 /nfs/dbraw/zinc/97/10/32/1398971032.db2.gz CMIVUNSHYDHKPY-BQYQJAHWSA-N 0 0 383.444 3.445 10 30 GGEERN CCOc1cc(/C=C2/COc3ccccc3C2=O)ccc1OCC(=O)N(C)C ZINC000013636409 1399081387 /nfs/dbraw/zinc/08/13/87/1399081387.db2.gz FAICLUYBESLDNJ-WJDWOHSUSA-N 0 0 381.428 3.211 10 30 GGEERN CCCN1CCN(C(Nc2ccc(C(=O)[O-])cc2)=[NH+]Cc2ccc(F)cc2)CC1 ZINC000021046579 1399361469 /nfs/dbraw/zinc/36/14/69/1399361469.db2.gz JBZZHNWUDMKQPT-UHFFFAOYSA-N 0 0 398.482 3.329 10 30 GGEERN C=C(C)Cn1c2nc3c(cc2c(=O)n(Cc2ccccc2)c1=O)COC(C)(C)C3 ZINC000021798297 1399409941 /nfs/dbraw/zinc/40/99/41/1399409941.db2.gz RWHUOQVIMAQOKT-UHFFFAOYSA-N 0 0 391.471 3.034 10 30 GGEERN C=C(C)CN(CC)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000024457730 1399632280 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CCOC(=O)COc1cccc(NCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000046501626 1404448542 /nfs/dbraw/zinc/44/85/42/1404448542.db2.gz GBAMCXKJIOFRCC-UHFFFAOYSA-N 0 0 387.823 3.204 10 30 GGEERN N#Cc1ccc(N2CC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000046551559 1404475259 /nfs/dbraw/zinc/47/52/59/1404475259.db2.gz AFCIBDVYTUAUQM-HXUWFJFHSA-N 0 0 380.879 3.139 10 30 GGEERN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000046599792 1404500359 /nfs/dbraw/zinc/50/03/59/1404500359.db2.gz FGXMBNIKIPHWTN-INIZCTEOSA-N 0 0 396.447 3.371 10 30 GGEERN CCCOc1ccc(CNC(=O)COc2ccc(C#N)cc2OC)cc1OC ZINC000047450733 1404841197 /nfs/dbraw/zinc/84/11/97/1404841197.db2.gz BNESUAHQAMYPQE-UHFFFAOYSA-N 0 0 384.432 3.059 10 30 GGEERN CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000176310382 1428236767 /nfs/dbraw/zinc/23/67/67/1428236767.db2.gz FJBSOANAXWYTGO-LBPRGKRZSA-N 0 0 379.407 3.213 10 30 GGEERN N#Cc1c(NC(=O)c2ccc3c(c2)C(=O)N(C2CC2)C3=O)sc2c1CCC2 ZINC000066014589 1408774304 /nfs/dbraw/zinc/77/43/04/1408774304.db2.gz VLSVQOXQWXRPPR-UHFFFAOYSA-N 0 0 377.425 3.119 10 30 GGEERN CNC(=O)COc1ccc(/C=C2\COc3c(C)cc(C)cc3C2=O)cc1OC ZINC000066408041 1408832169 /nfs/dbraw/zinc/83/21/69/1408832169.db2.gz FAVNIGVBHGHXIJ-CXUHLZMHSA-N 0 0 381.428 3.096 10 30 GGEERN N#Cc1ccc(N2CCCN(C(=O)N[C@H]3C[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000067564711 1409165766 /nfs/dbraw/zinc/16/57/66/1409165766.db2.gz JFBNERKYYWPXAJ-SFTDATJTSA-N 0 0 378.451 3.475 10 30 GGEERN Cc1cc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)n(CCC#N)n1 ZINC000068219684 1409333677 /nfs/dbraw/zinc/33/36/77/1409333677.db2.gz HTJNAGJHPOOZQR-UHFFFAOYSA-N 0 0 386.412 3.025 10 30 GGEERN CCc1nc(CN(C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)cs1 ZINC000070698105 1409753986 /nfs/dbraw/zinc/75/39/86/1409753986.db2.gz HVBJMGMRXQSVMU-HNNXBMFYSA-N 0 0 386.521 3.481 10 30 GGEERN C[C@]1(n2cc(/C=C/C(=O)c3cccc(C(F)(F)F)c3)cn2)CCS(=O)(=O)C1 ZINC000084673578 1410037578 /nfs/dbraw/zinc/03/75/78/1410037578.db2.gz YMUUKZHZXVHEBY-RTRPANQVSA-N 0 0 398.406 3.332 10 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/nfs/dbraw/zinc/32/92/98/1410329298.db2.gz LIZIEMTVROMLNA-UHFFFAOYSA-N 0 0 396.516 3.103 10 30 GGEERN CCC(=O)NCCc1csc([C@H]2CCCN(C(=O)c3cccc(C#N)c3)C2)n1 ZINC000096373062 1410329305 /nfs/dbraw/zinc/32/93/05/1410329305.db2.gz VMBJIVQWPBNNBT-KRWDZBQOSA-N 0 0 396.516 3.103 10 30 GGEERN N#Cc1ccc(/C=C\C(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000096822812 1410336569 /nfs/dbraw/zinc/33/65/69/1410336569.db2.gz UICLIXROMNUMEA-YHYXMXQVSA-N 0 0 395.890 3.448 10 30 GGEERN Cn1cnnc1Sc1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000096766236 1410336756 /nfs/dbraw/zinc/33/67/56/1410336756.db2.gz PVHHKNYFQPGGSN-WAPJZHGLSA-N 0 0 382.401 3.476 10 30 GGEERN N#Cc1c(F)cccc1NCCNC(=O)/C=C\c1ccc(N2CCCC2=O)cc1 ZINC000098007936 1410393985 /nfs/dbraw/zinc/39/39/85/1410393985.db2.gz JAELYNZKGBAJEJ-FLIBITNWSA-N 0 0 392.434 3.066 10 30 GGEERN COc1ccc(C(=O)/C=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(F)c1 ZINC000098053791 1410403805 /nfs/dbraw/zinc/40/38/05/1410403805.db2.gz ZIGHFXIZKZYFQM-CLTKARDFSA-N 0 0 386.379 3.475 10 30 GGEERN CCN(CC)S(=O)(=O)c1ccc(/C=C\C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000098053496 1410404007 /nfs/dbraw/zinc/40/40/07/1410404007.db2.gz FEVIZUQACBACPH-ZROIWOOFSA-N 0 0 383.473 3.241 10 30 GGEERN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N\[C@H]2CCS(=O)(=O)C2)cc1 ZINC000102825625 1410788197 /nfs/dbraw/zinc/78/81/97/1410788197.db2.gz SVBCBCVIHQORQP-CVHFWEDTSA-N 0 0 379.485 3.454 10 30 GGEERN N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000108612122 1411552475 /nfs/dbraw/zinc/55/24/75/1411552475.db2.gz BHNKVNZKIFSENM-NVXWUHKLSA-N 0 0 383.448 3.442 10 30 GGEERN N#CCCN(CCN1CCOCC1)C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000108791516 1411612317 /nfs/dbraw/zinc/61/23/17/1411612317.db2.gz ASIZEDHEIUJBIG-VXKWHMMOSA-N 0 0 377.488 3.018 10 30 GGEERN N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000108791520 1411612826 /nfs/dbraw/zinc/61/28/26/1411612826.db2.gz ASIZEDHEIUJBIG-FCHUYYIVSA-N 0 0 377.488 3.018 10 30 GGEERN COC(=O)C(=O)C1=C(c2ccccc2Cl)NC(=S)N[C@H]1c1ccccc1 ZINC000109067839 1411674708 /nfs/dbraw/zinc/67/47/08/1411674708.db2.gz FVKGVBSLXDFTCN-HNNXBMFYSA-N 0 0 386.860 3.012 10 30 GGEERN O=C(NCCNC(=O)C1N=CC=CC1=O)Nc1ccccc1-c1ccccc1 ZINC000111706135 1412014066 /nfs/dbraw/zinc/01/40/66/1412014066.db2.gz DLICXDPEPBHMJH-VXPUYCOJSA-N 0 0 376.416 3.002 10 30 GGEERN O=C(NCCNC(=O)C1N=CC=CC1=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000111829561 1412035291 /nfs/dbraw/zinc/03/52/91/1412035291.db2.gz GCFFCWGYVZYELA-WCZGFUKNSA-N 0 0 396.491 3.134 10 30 GGEERN CCOc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1CO ZINC000112533363 1412164761 /nfs/dbraw/zinc/16/47/61/1412164761.db2.gz FGIFKJACUVWHRI-LBPRGKRZSA-N 0 0 385.489 3.439 10 30 GGEERN Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000114673873 1412493449 /nfs/dbraw/zinc/49/34/49/1412493449.db2.gz BCBYIMUMVTYIKT-HOTGVXAUSA-N 0 0 385.489 3.281 10 30 GGEERN C[C@H](Sc1n[nH]c(-c2ccccn2)n1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000117113986 1413001423 /nfs/dbraw/zinc/00/14/23/1413001423.db2.gz DCYXTUUUWMSHQT-BIWSTMPVSA-N 0 0 384.509 3.278 10 30 GGEERN C[C@H](Cc1ccc(Cl)cc1)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000121133792 1414019709 /nfs/dbraw/zinc/01/97/09/1414019709.db2.gz BLQDSNZVXCSSJU-GFCCVEGCSA-N 0 0 393.852 3.372 10 30 GGEERN C=CCn1c(=S)n(CN2CC[C@@H](Oc3ccncc3)C2)nc1-c1ccncc1 ZINC000121218572 1414047343 /nfs/dbraw/zinc/04/73/43/1414047343.db2.gz BAFSKJPAAVGLAU-GOSISDBHSA-N 0 0 394.504 3.168 10 30 GGEERN N#Cc1cc(S(=O)(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)ccc1F ZINC000121251766 1414059177 /nfs/dbraw/zinc/05/91/77/1414059177.db2.gz VVENKAFFAOHVDM-CQSZACIVSA-N 0 0 389.235 3.016 10 30 GGEERN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000121574247 1414184187 /nfs/dbraw/zinc/18/41/87/1414184187.db2.gz GUHLKMJVOHYWKV-UGSOOPFHSA-N 0 0 397.500 3.215 10 30 GGEERN N#Cc1cc(S(=O)(=O)NC2(c3ccc(Cl)cc3)CCOCC2)ccc1F ZINC000122276561 1414409502 /nfs/dbraw/zinc/40/95/02/1414409502.db2.gz HVXVZGCSWWZPCG-UHFFFAOYSA-N 0 0 394.855 3.335 10 30 GGEERN C=CCn1c(S[C@H](C)C(=O)Nc2ncccn2)nnc1-c1ccccc1C ZINC000124139758 1414893441 /nfs/dbraw/zinc/89/34/41/1414893441.db2.gz BNFAOMPUJVVSOB-CQSZACIVSA-N 0 0 380.477 3.349 10 30 GGEERN C[C@H](NC(=O)[C@H](C)ON=C(N)COc1ccccc1)c1ccc(Cl)cc1 ZINC000124441453 1414969475 /nfs/dbraw/zinc/96/94/75/1414969475.db2.gz DBPUCCWXIVIZHV-KBPBESRZSA-N 0 0 375.856 3.274 10 30 GGEERN COc1ccccc1[C@H](C)NC(=O)[C@@H](C)ON=C(N)c1cccc(Cl)c1 ZINC000124462265 1414973649 /nfs/dbraw/zinc/97/36/49/1414973649.db2.gz CCSVWCKONIFOIS-QWHCGFSZSA-N 0 0 375.856 3.251 10 30 GGEERN COc1ccccc1[C@@H](C)NC(=O)[C@H](C)ON=C(N)c1cccc(Cl)c1 ZINC000124462875 1414974270 /nfs/dbraw/zinc/97/42/70/1414974270.db2.gz CCSVWCKONIFOIS-OLZOCXBDSA-N 0 0 375.856 3.251 10 30 GGEERN C[C@@H](Sc1nnc(-c2ccccn2)n1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000124671598 1415018140 /nfs/dbraw/zinc/01/81/40/1415018140.db2.gz BKWVTQWVFDNMGG-RDYUPDBUSA-N 0 0 398.536 3.289 10 30 GGEERN CCc1cnc(CN(C)[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)s1 ZINC000177776007 1428856130 /nfs/dbraw/zinc/85/61/30/1428856130.db2.gz 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CC(C)COc1ccc(CC(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1 ZINC000178013129 1428935028 /nfs/dbraw/zinc/93/50/28/1428935028.db2.gz GAYNWMRENQCHAZ-UHFFFAOYSA-N 0 0 389.459 3.414 10 30 GGEERN N#Cc1ccc(N2CC[C@H](N3CCO[C@H](c4ccc(Cl)cc4)C3)C2=O)cc1 ZINC000126713351 1415534515 /nfs/dbraw/zinc/53/45/15/1415534515.db2.gz IIHXAETVUFPISU-PMACEKPBSA-N 0 0 381.863 3.390 10 30 GGEERN COC(=O)C1=C(C(=O)c2ccc(Cl)s2)[C@H](c2ccccc2)NC(=S)N1 ZINC000127586190 1415814218 /nfs/dbraw/zinc/81/42/18/1415814218.db2.gz BVAWQVASPGSUPT-ZDUSSCGKSA-N 0 0 392.889 3.230 10 30 GGEERN CN1C[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCC1=O ZINC000130967729 1416489190 /nfs/dbraw/zinc/48/91/90/1416489190.db2.gz FRQGYEJRASJFOL-QGZVFWFLSA-N 0 0 379.485 3.201 10 30 GGEERN CN(Cc1cccc(OC(F)(F)F)c1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000132260889 1416725332 /nfs/dbraw/zinc/72/53/32/1416725332.db2.gz PGDDEMBWBJXHLH-UHFFFAOYSA-N 0 0 388.342 3.417 10 30 GGEERN CCOC(=O)c1cnn(CCC#N)c1NC(=O)/C=C/c1nc2ccccc2s1 ZINC000136853558 1417350569 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CC[C@@H]1CSC(=Nc2ccccc2)N1C(=O)c1nc2nc(C)cc(C)n2n1 ZINC000254851025 1433872251 /nfs/dbraw/zinc/87/22/51/1433872251.db2.gz IIAWWTRDZMDYEE-OAHLLOKOSA-N 0 0 380.477 3.396 10 30 GGEERN C[C@H]1C[C@H](C)CN(C(=O)CON=CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000254866751 1433872265 /nfs/dbraw/zinc/87/22/65/1433872265.db2.gz RHFYGWZRNHQSAS-STQMWFEESA-N 0 0 385.386 3.151 10 30 GGEERN CN=c1scc(-c2ccc([N+](=O)[O-])cc2)n1N=Cc1ccc(NC(C)=O)cc1 ZINC000254877215 1433872277 /nfs/dbraw/zinc/87/22/77/1433872277.db2.gz YVWBRSAFBRDITD-UHFFFAOYSA-N 0 0 395.444 3.496 10 30 GGEERN CCOc1ccc(C=NOCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000254869102 1433872304 /nfs/dbraw/zinc/87/23/04/1433872304.db2.gz JMBJMXUFLPQFPI-HNNXBMFYSA-N 0 0 384.432 3.084 10 30 GGEERN CNC(=O)CC1SC(=Nc2ccc(C)c(F)c2)N(CCc2ccccc2)C1=O ZINC000255119363 1433876721 /nfs/dbraw/zinc/87/67/21/1433876721.db2.gz BWMAKSIDYXIXCC-SFHVURJKSA-N 0 0 399.491 3.444 10 30 GGEERN CNC(=O)CC1SC(=Nc2ccc(C)c(F)c2)N(CCc2ccccc2)C1=O ZINC000255119362 1433876792 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COCc1cc(C)nc(OCC(=O)c2ccc(Br)cc2)c1C#N ZINC000001441327 206381457 /nfs/dbraw/zinc/38/14/57/206381457.db2.gz HHMBXVTZLPDXPZ-UHFFFAOYSA-N 0 0 375.222 3.432 10 30 GGEERN COc1cc(/C=N\c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1OC(C)=O ZINC000001506156 206384581 /nfs/dbraw/zinc/38/45/81/206384581.db2.gz UDVSBTNOUSEOPM-XKZIYDEJSA-N 0 0 379.416 3.169 10 30 GGEERN COc1cccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c1OCC#N ZINC000001923973 206394275 /nfs/dbraw/zinc/39/42/75/206394275.db2.gz KGBXRESCHBSFAE-OEAKJJBVSA-N 0 0 376.416 3.146 10 30 GGEERN COc1cc(/C=N\c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1OCC#N ZINC000001953798 206395534 /nfs/dbraw/zinc/39/55/34/206395534.db2.gz GQGRQFIFMHXBAK-UCQKPKSFSA-N 0 0 376.416 3.146 10 30 GGEERN CCCCn1c(SCC(=O)N[C@@](C)(C#N)C(C)C)nnc1[C@@H](CC)N(C)C ZINC000002664374 206428562 /nfs/dbraw/zinc/42/85/62/206428562.db2.gz YBBDFCGLBSZGTH-BEFAXECRSA-N 0 0 394.589 3.237 10 30 GGEERN COc1ccc(S(=O)(=O)N(CCC#N)[C@H]2CCc3ccccc32)cc1OC ZINC000003928931 206496611 /nfs/dbraw/zinc/49/66/11/206496611.db2.gz 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N#Cc1ccc(N2CCC(C(=O)Nc3cnn(Cc4ccccc4)c3)CC2)nc1 ZINC000058160288 136154747 /nfs/dbraw/zinc/15/47/47/136154747.db2.gz AUOSJXKKRNKZPM-UHFFFAOYSA-N 0 0 386.459 3.053 10 30 GGEERN N#Cc1cccnc1N1CCC([C@H]2CCCCCN2C(=O)C2CCOCC2)CC1 ZINC000071890490 136166780 /nfs/dbraw/zinc/16/67/80/136166780.db2.gz GKAHXQDFVLCCTA-OAQYLSRUSA-N 0 0 396.535 3.367 10 30 GGEERN N#CCc1cc2ccccc2nc1N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000089873036 136175780 /nfs/dbraw/zinc/17/57/80/136175780.db2.gz SGHMPFYOBAHMAN-UHFFFAOYSA-N 0 0 382.471 3.271 10 30 GGEERN N#Cc1ccc(N2CCC(NC(=O)COc3cccc4cccnc43)CC2)cc1 ZINC000096003766 136183208 /nfs/dbraw/zinc/18/32/08/136183208.db2.gz LXAGQKPUZKQDQI-UHFFFAOYSA-N 0 0 386.455 3.270 10 30 GGEERN COc1ccc(-c2ncccc2CNS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000065171511 222105541 /nfs/dbraw/zinc/10/55/41/222105541.db2.gz BCALLQYYXONVBM-UHFFFAOYSA-N 0 0 379.441 3.107 10 30 GGEERN C#CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OCCCC)cc1)CC(=O)N2 ZINC000021784580 518337597 /nfs/dbraw/zinc/33/75/97/518337597.db2.gz 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C=CCN(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(=O)Cc1ccccc1 ZINC000004378750 518746222 /nfs/dbraw/zinc/74/62/22/518746222.db2.gz XKLYMHHDXVTYBQ-NRFANRHFSA-N 0 0 396.487 3.045 10 30 GGEERN C=CCN(CC(=O)c1c(C)c(C(=O)OC)n(CC)c1C)C(=O)c1ccccc1 ZINC000036018793 518760180 /nfs/dbraw/zinc/76/01/80/518760180.db2.gz LHCYXVYUQJSHFY-UHFFFAOYSA-N 0 0 382.460 3.423 10 30 GGEERN C=CCN(CC(=O)c1c(C)c(C(=O)OCC)n(C)c1C)C(=O)c1ccccc1 ZINC000036000616 518760311 /nfs/dbraw/zinc/76/03/11/518760311.db2.gz WUXQCGDYPGJUBW-UHFFFAOYSA-N 0 0 382.460 3.330 10 30 GGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)CCc1nc(-c2ccncc2)no1 ZINC000055891626 518781670 /nfs/dbraw/zinc/78/16/70/518781670.db2.gz DOYILTHWLUHLOO-UHFFFAOYSA-N 0 0 378.432 3.288 10 30 GGEERN C=CCN1C(=O)N(c2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccc(OCC)cc1 ZINC000002729812 518837098 /nfs/dbraw/zinc/83/70/98/518837098.db2.gz WERDPRBOBVBSFU-LJQANCHMSA-N 0 0 393.443 3.437 10 30 GGEERN C=CCN1C(C(C)=O)=C(OC(=O)c2ccc(C)cc2)c2ccccc2S1(=O)=O ZINC000020893994 518852321 /nfs/dbraw/zinc/85/23/21/518852321.db2.gz MZECDMIQTQHICK-UHFFFAOYSA-N 0 0 397.452 3.300 10 30 GGEERN C=CCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)CC1 ZINC000033274693 518884504 /nfs/dbraw/zinc/88/45/04/518884504.db2.gz NDOGMBWCEBFVMJ-UHFFFAOYSA-N 0 0 384.501 3.438 10 30 GGEERN C=CCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(CC)cc3)cc2)CC1 ZINC000033274695 518884643 /nfs/dbraw/zinc/88/46/43/518884643.db2.gz RMVUHLDOCFKCFT-UHFFFAOYSA-N 0 0 384.501 3.384 10 30 GGEERN C=CCNC(=O)CSc1nc(C(F)(F)F)nc2c1cnn2-c1ccccc1 ZINC000002624830 518898678 /nfs/dbraw/zinc/89/86/78/518898678.db2.gz RXFQXKJFOBWYFA-UHFFFAOYSA-N 0 0 393.394 3.229 10 30 GGEERN C=CCNC(=O)NC1CCN(c2ccccc2C(=O)N2CCC(C)CC2)CC1 ZINC000037277476 518908546 /nfs/dbraw/zinc/90/85/46/518908546.db2.gz HXJICTCWWUIABM-UHFFFAOYSA-N 0 0 384.524 3.013 10 30 GGEERN C=CCNC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1CC(C)C)CCC3 ZINC000016835354 518916390 /nfs/dbraw/zinc/91/63/90/518916390.db2.gz KQFYPSOSJHGPHP-GFCCVEGCSA-N 0 0 391.562 3.386 10 30 GGEERN C=CCNC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccc(OC)cc2)C1 ZINC000034709559 518930625 /nfs/dbraw/zinc/93/06/25/518930625.db2.gz JOFWJKBEHBGAOI-PMACEKPBSA-N 0 0 378.472 3.243 10 30 GGEERN C=CCNC(=O)c1cc(Cl)c(NC(=O)C2=C(C)OCCS2)cc1OC ZINC000020919950 518932388 /nfs/dbraw/zinc/93/23/88/518932388.db2.gz AKHJMBHWWVUHDE-UHFFFAOYSA-N 0 0 382.869 3.198 10 30 GGEERN C=CCNC(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2OC)CC1 ZINC000037525093 518937240 /nfs/dbraw/zinc/93/72/40/518937240.db2.gz JJVQNFLXWPIDHA-UHFFFAOYSA-N 0 0 393.487 3.010 10 30 GGEERN C=CCNC(=O)c1csc(CN2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000034669059 518947065 /nfs/dbraw/zinc/94/70/65/518947065.db2.gz MFNNLXIBWCGOSU-UHFFFAOYSA-N 0 0 376.913 3.035 10 30 GGEERN C=CCOC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)O ZINC000098091632 518976918 /nfs/dbraw/zinc/97/69/18/518976918.db2.gz GLXCMMPBFKKXPV-VBKZILBWSA-N 0 0 381.428 3.004 10 30 GGEERN C=CCOc1ccc(-c2nc(C(=O)N3CCN(CC=C)CC3)cs2)cc1OC ZINC000034717286 519007708 /nfs/dbraw/zinc/00/77/08/519007708.db2.gz GSHXYZQBTVIGLI-UHFFFAOYSA-N 0 0 399.516 3.327 10 30 GGEERN C=CCOc1ccc(/C=C\C(=O)NCC[C@H](CC)N2CCCC2=O)cc1OC ZINC000096316142 519016791 /nfs/dbraw/zinc/01/67/91/519016791.db2.gz UWMCKQDXOXSAAQ-FYGXRCCRSA-N 0 0 386.492 3.181 10 30 GGEERN C=CCOc1ccc(CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 ZINC000006979504 519031633 /nfs/dbraw/zinc/03/16/33/519031633.db2.gz SBBJTVVJIBDHQU-QGZVFWFLSA-N 0 0 393.487 3.447 10 30 GGEERN C=CCOc1ccc(CN(C)C(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)cc1 ZINC000006549172 519032964 /nfs/dbraw/zinc/03/29/64/519032964.db2.gz RSMIGPAQCBTENB-UHFFFAOYSA-N 0 0 395.459 3.440 10 30 GGEERN C=CCS(=O)(=O)c1ccc(C)c(NCC(=O)Nc2cc(F)ccc2C)c1 ZINC000009220341 519075564 /nfs/dbraw/zinc/07/55/64/519075564.db2.gz YFDCGXJELHHLAA-UHFFFAOYSA-N 0 0 376.453 3.453 10 30 GGEERN C=CCSc1nnc(NC(=O)[C@@H]2CC(=O)N(c3cccc(CC)c3)C2)s1 ZINC000024829416 519089548 /nfs/dbraw/zinc/08/95/48/519089548.db2.gz BSWZAPNRXLYRCC-CYBMUJFWSA-N 0 0 388.518 3.370 10 30 GGEERN C=CCn1c(=O)c2c(ncn2Cc2ccc(C)cc2)n(-c2ccccc2C)c1=O ZINC000037279829 519156437 /nfs/dbraw/zinc/15/64/37/519156437.db2.gz ZGYRABZQXPRQEC-UHFFFAOYSA-N 0 0 386.455 3.200 10 30 GGEERN C=CCn1c(=O)c2c(ncn2Cc2ccccc2C)n(-c2ccc(C)cc2)c1=O ZINC000037558588 519157601 /nfs/dbraw/zinc/15/76/01/519157601.db2.gz FLRDJBWDZWRKMK-UHFFFAOYSA-N 0 0 386.455 3.200 10 30 GGEERN C=CCn1c(=O)c2c(ncn2Cc2ccccc2F)n(-c2ccc(C)cc2)c1=O ZINC000037559019 519157932 /nfs/dbraw/zinc/15/79/32/519157932.db2.gz YIXXREFVGDKLCI-UHFFFAOYSA-N 0 0 390.418 3.031 10 30 GGEERN C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@](CC)(c3ccccc3)C2=O)c1C ZINC000004305715 519169606 /nfs/dbraw/zinc/16/96/06/519169606.db2.gz OGSOTWZNCMXFGQ-JOCHJYFZSA-N 0 0 379.460 3.331 10 30 GGEERN C=CCn1c(N)c(C(=O)NCCc2ccc(OC)c(OC)c2)sc1=S ZINC000032952434 519193989 /nfs/dbraw/zinc/19/39/89/519193989.db2.gz GDYWXDRTKTXLKC-UHFFFAOYSA-N 0 0 379.507 3.037 10 30 GGEERN C=CCn1c(SC(C(C)=O)=C(C)O)nc2sc3c(c2c1=O)CCCC3 ZINC000101404448 519198293 /nfs/dbraw/zinc/19/82/93/519198293.db2.gz NZMGTHVJOIDMFT-UHFFFAOYSA-N 0 0 376.503 3.162 10 30 GGEERN C=CCn1c2ccccc2n(CC(=O)N[C@@H](CCC)c2cccs2)c(=O)c1=O ZINC000033068635 519263946 /nfs/dbraw/zinc/26/39/46/519263946.db2.gz MVUTYNQPBKEKNA-HNNXBMFYSA-N 0 0 397.500 3.068 10 30 GGEERN C=CCn1c2ccccc2nc1N1CCC(C(=O)NCCc2ccccn2)CC1 ZINC000034906479 519267468 /nfs/dbraw/zinc/26/74/68/519267468.db2.gz DFSHNDWXDLJUKA-UHFFFAOYSA-N 0 0 389.503 3.193 10 30 GGEERN CC(=O)C/N=C1/N=C(N(Cc2ccc(C)o2)Cc2ccc3c(c2)OCO3)S1 ZINC000020407454 519360806 /nfs/dbraw/zinc/36/08/06/519360806.db2.gz LFNCOLBLTIFQFL-ZZEZOPTASA-N 0 0 385.445 3.367 10 30 GGEERN CC(C)N1c2ccccc2[C@@](O)(CC(=O)C=Cc2ccc3c(c2)OCO3)C1=O ZINC000033563426 519699545 /nfs/dbraw/zinc/69/95/45/519699545.db2.gz INSZZTVJIIVLKE-PYHFOVLWSA-N 0 0 379.412 3.031 10 30 GGEERN CC(C)NC(=O)c1ccc2c(c1)nc(SCC#N)n(Cc1ccccc1)c2=O ZINC000033074128 519718174 /nfs/dbraw/zinc/71/81/74/519718174.db2.gz SOZCIUWQJVZIQQ-UHFFFAOYSA-N 0 0 392.484 3.199 10 30 GGEERN CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc(OC)c2)C1=O ZINC000101662204 520067690 /nfs/dbraw/zinc/06/76/90/520067690.db2.gz JLBQDGBFNURCPC-HXUWFJFHSA-N 0 0 375.469 3.305 10 30 GGEERN CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccccc2OC)C1=O ZINC000101662459 520070447 /nfs/dbraw/zinc/07/04/47/520070447.db2.gz RBQYWZCRRFYWCB-FQEVSTJZSA-N 0 0 375.469 3.305 10 30 GGEERN CCN(C(C)=O)c1nc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)cs1 ZINC000096133977 520132165 /nfs/dbraw/zinc/13/21/65/520132165.db2.gz DYMSUJKRAYPECY-FPLPWBNLSA-N 0 0 385.445 3.369 10 30 GGEERN CCCOc1ccc(CNC(=S)N/N=C\c2ccccc2O)cc1[N+](=O)[O-] ZINC000058983056 520364229 /nfs/dbraw/zinc/36/42/29/520364229.db2.gz XDEMIEYOEIWOOH-NDENLUEZSA-N 0 0 388.449 3.087 10 30 GGEERN CCOC(=O)C(=NNc1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000012625482 520396095 /nfs/dbraw/zinc/39/60/95/520396095.db2.gz WRBISAJXHGRSOW-HKWRFOASSA-N 0 0 375.768 3.462 10 30 GGEERN CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000027533385 520529976 /nfs/dbraw/zinc/52/99/76/520529976.db2.gz LMYREVKNHGBJEY-APWZRJJASA-N 0 0 390.439 3.330 10 30 GGEERN CCOc1c(Br)cc(/C=C2\C(C)=NN(CCC#N)C2=O)cc1OC ZINC000033767207 520590596 /nfs/dbraw/zinc/59/05/96/520590596.db2.gz JUOJBNSPGXXVAB-MDWZMJQESA-N 0 0 392.253 3.372 10 30 GGEERN CCOc1cc(/C=C2/S/C(=N\c3ccccc3C(=O)OC)NC2=O)ccc1O ZINC000002799092 520625056 /nfs/dbraw/zinc/62/50/56/520625056.db2.gz KMZKVXWXIBRFDM-GZTJUZNOSA-N 0 0 398.440 3.469 10 30 GGEERN Cc1cc(C)c(NS(=O)(=O)c2ccc(N=Cc3ccc([N+](=O)[O-])o3)cc2)[nH]1 ZINC000103601379 520882948 /nfs/dbraw/zinc/88/29/48/520882948.db2.gz OMGCSBBTZWLFTJ-HPAYWCODSA-N 0 0 388.405 3.169 10 30 GGEERN CCCC[C@@H](ON=C(C)C)C(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000095468821 521105655 /nfs/dbraw/zinc/10/56/55/521105655.db2.gz DYINLHYRNTWMJG-HXUWFJFHSA-N 0 0 375.513 3.106 10 30 GGEERN COc1cc(/C=C\C(=O)c2ccc(N3CCOCC3)c(F)c2)cc(OC)c1O ZINC000096765523 521981198 /nfs/dbraw/zinc/98/11/98/521981198.db2.gz QOJUBCRZCSADCX-UTCJRWHESA-N 0 0 387.407 3.281 10 30 GGEERN CN(CCC#N)C(=O)COC(=O)c1ccccc1OCc1ccccc1Cl ZINC000003284780 522668815 /nfs/dbraw/zinc/66/88/15/522668815.db2.gz AGDPEBVERBTUML-UHFFFAOYSA-N 0 0 386.835 3.448 10 30 GGEERN COc1ccc(C(=O)N=C(NCc2ccncc2)Nc2ccccc2)cc1OC ZINC000035480995 523547379 /nfs/dbraw/zinc/54/73/79/523547379.db2.gz IKUFEYYBCIBVRF-UHFFFAOYSA-N 0 0 390.443 3.497 10 30 GGEERN CN(/N=C1/c2cc(Br)ccc2NC1=O)c1cnc2ccccc2n1 ZINC000058076266 523771022 /nfs/dbraw/zinc/77/10/22/523771022.db2.gz ILERJEIZLYWCMO-UHFFFAOYSA-N 0 0 382.221 3.185 10 30 GGEERN C[C@@H]1CCc2sc(-c3nnc(SCC(=O)N(C)CCC#N)o3)cc2C1 ZINC000007129723 524732400 /nfs/dbraw/zinc/73/24/00/524732400.db2.gz SFOBXQHJXYSBSW-LLVKDONJSA-N 0 0 376.507 3.387 10 30 GGEERN Cc1ccccc1C=CC(=O)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1 ZINC000096545153 525040270 /nfs/dbraw/zinc/04/02/70/525040270.db2.gz BLXKANCPEXZCEZ-QXMHVHEDSA-N 0 0 383.473 3.118 10 30 GGEERN COc1cccc(-n2c(C)cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccn3)c2C)c1 ZINC000103613690 525745875 /nfs/dbraw/zinc/74/58/75/525745875.db2.gz RENLORSSOZTKHW-LJQANCHMSA-N 0 0 388.427 3.459 10 30 GGEERN COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccco2)c1 ZINC000100447268 525758580 /nfs/dbraw/zinc/75/85/80/525758580.db2.gz MLSFESWZALIOAE-HQMFNGAOSA-N 0 0 390.395 3.305 10 30 GGEERN COc1cccc(/C=C\C(=O)OCC(=O)N(CCC#N)c2ccccc2)c1OC ZINC000006373264 525769790 /nfs/dbraw/zinc/76/97/90/525769790.db2.gz BMEFBXKAMXIJHU-SEYXRHQNSA-N 0 0 394.427 3.207 10 30 GGEERN Cc1ccc(-c2csc(C3=C(N)N(C[C@@H](O)c4ccccc4)CC3=O)n2)cc1 ZINC000007002395 525778909 /nfs/dbraw/zinc/77/89/09/525778909.db2.gz GPJBTGCUHDTTNP-GOSISDBHSA-N 0 0 391.496 3.364 10 30 GGEERN C[C@@H](O)c1ncc(C(=O)N2C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C2)s1 ZINC000328596460 525883945 /nfs/dbraw/zinc/88/39/45/525883945.db2.gz RGZDETYGODHUNZ-SEDUGSJDSA-N 0 0 383.514 3.024 10 30 GGEERN C[C@@]1(n2cc(/C=C\C(=O)c3cccc(C(F)(F)F)c3)cn2)CCS(=O)(=O)C1 ZINC000098056626 525909167 /nfs/dbraw/zinc/90/91/67/525909167.db2.gz YMUUKZHZXVHEBY-KEGWNNHHSA-N 0 0 398.406 3.332 10 30 GGEERN COc1cccc(CN2CC(=O)C(c3nc4ccccc4s3)=C2N)c1OC ZINC000064838176 525933765 /nfs/dbraw/zinc/93/37/65/525933765.db2.gz RIRBUEBGLOSJMX-UHFFFAOYSA-N 0 0 381.457 3.026 10 30 GGEERN Cc1ccc2c3c1/C(=N/NC(N)=S)C(=O)N3C(C)(C)C[C@]2(C)c1ccccc1 ZINC000102983327 526223943 /nfs/dbraw/zinc/22/39/43/526223943.db2.gz AEDXTADOCCHRIO-YMLINEMLSA-N 0 0 392.528 3.367 10 30 GGEERN Cc1ccc(C(=O)OCC(=O)N(CCC#N)Cc2ccco2)cc1-n1cccc1 ZINC000040038981 526236711 /nfs/dbraw/zinc/23/67/11/526236711.db2.gz UKJRYDSATLDDIV-UHFFFAOYSA-N 0 0 391.427 3.478 10 30 GGEERN N#CCC(=O)Nc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000006640066 526441524 /nfs/dbraw/zinc/44/15/24/526441524.db2.gz YHTZUQCBUIARIL-SFHVURJKSA-N 0 0 380.448 3.089 10 30 GGEERN N#CCC(=O)Nc1ccc(C(=O)N2CCN(C/C=C\c3ccccc3)CC2)cc1 ZINC000033576778 526442254 /nfs/dbraw/zinc/44/22/54/526442254.db2.gz XSLLHMNBZOIEEC-DAXSKMNVSA-N 0 0 388.471 3.010 10 30 GGEERN N#CCCNS(=O)(=O)c1cccc(C(=O)Nc2cccc3c2CCCC3)c1 ZINC000024925545 526462567 /nfs/dbraw/zinc/46/25/67/526462567.db2.gz PYEWDDNUURVUCY-UHFFFAOYSA-N 0 0 383.473 3.010 10 30 GGEERN N#CCCn1cc(/C=C\C(=O)N2CCN(Cc3ccncc3)CC2)c2ccccc21 ZINC000057291357 526466958 /nfs/dbraw/zinc/46/69/58/526466958.db2.gz BXUPWEMNVKADSN-SREVYHEPSA-N 0 0 399.498 3.308 10 30 GGEERN O=C(c1ccccn1)N1CCC[C@]2(C1)Nc1cccnc1NC2=NC1CCCC1 ZINC000096309797 526815045 /nfs/dbraw/zinc/81/50/45/526815045.db2.gz NZXAFMBSWVMXJM-JOCHJYFZSA-N 0 0 390.491 3.330 10 30 GGEERN C#CCN(Cc1ccccc1Cl)C(=O)c1ccc(C)c(NS(C)(=O)=O)c1 ZINC000058025246 526912063 /nfs/dbraw/zinc/91/20/63/526912063.db2.gz WKPXZYBGVCUDJT-UHFFFAOYSA-N 0 0 390.892 3.296 10 30 GGEERN O=C(C[C@@H]1Sc2ccccc2NC1=O)NOC(=O)c1ccccc1Cl ZINC000001038272 527145311 /nfs/dbraw/zinc/14/53/11/527145311.db2.gz UJLJXUQHLKNEOT-AWEZNQCLSA-N 0 0 376.821 3.031 10 30 GGEERN C=CCn1c(SCc2ccccc2C(N)=O)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000096294595 527342442 /nfs/dbraw/zinc/34/24/42/527342442.db2.gz YUJNMJHMEAMARB-UHFFFAOYSA-N 0 0 395.444 3.431 10 30 GGEERN Cn1ncc(C(=O)O/N=C/c2ccc(OC(F)(F)F)cc2)c1-n1cccc1 ZINC000001027793 527569214 /nfs/dbraw/zinc/56/92/14/527569214.db2.gz IMBGMEUQHKUPGY-LSHDLFTRSA-N 0 0 378.310 3.300 10 30 GGEERN CC[NH+](CC)CCOc1ccc(C=NNc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000242723073 528150658 /nfs/dbraw/zinc/15/06/58/528150658.db2.gz YDFHLFSNYFUFSO-UHFFFAOYSA-N 0 0 391.493 3.100 10 30 GGEERN N#Cc1nc(N(CCO)Cc2cc(Br)cs2)sc1Cl ZINC000596211249 567615491 /nfs/dbraw/zinc/61/54/91/567615491.db2.gz VBOZXHQZTXVEPR-UHFFFAOYSA-N 0 0 378.704 3.491 10 30 GGEERN Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000114735513 564181501 /nfs/dbraw/zinc/18/15/01/564181501.db2.gz RPFWMBKSEJYVNF-UHFFFAOYSA-N 0 0 395.937 3.088 10 30 GGEERN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(C)(C)c2cccs2)cc1 ZINC000115032245 564185019 /nfs/dbraw/zinc/18/50/19/564185019.db2.gz PAZICGSFHWGJKQ-UHFFFAOYSA-N 0 0 378.519 3.471 10 30 GGEERN Cc1cc(NC(=O)c2ccc(C#N)nc2)n(-c2cccc(Br)c2)n1 ZINC000115025537 564185141 /nfs/dbraw/zinc/18/51/41/564185141.db2.gz QAEJNNVPXKIYNA-UHFFFAOYSA-N 0 0 382.221 3.462 10 30 GGEERN N#Cc1ccc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)cn1 ZINC000115010438 564185159 /nfs/dbraw/zinc/18/51/59/564185159.db2.gz KUVNLEQSJRXEFI-UHFFFAOYSA-N 0 0 382.221 3.213 10 30 GGEERN N#Cc1ccc(C(=O)Nc2nnc(-c3cccc(Br)c3)s2)cn1 ZINC000115071708 564185973 /nfs/dbraw/zinc/18/59/73/564185973.db2.gz MVFVVRZNAVMTLS-UHFFFAOYSA-N 0 0 386.234 3.487 10 30 GGEERN N#Cc1ccc(C(=O)NCc2cc(Br)ccc2OC(F)F)cn1 ZINC000115051296 564186021 /nfs/dbraw/zinc/18/60/21/564186021.db2.gz MWOHELBKADNCKD-UHFFFAOYSA-N 0 0 382.164 3.247 10 30 GGEERN C=CCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Br)o1 ZINC000002117450 564186898 /nfs/dbraw/zinc/18/68/98/564186898.db2.gz AAYLAXCVCMABPV-QBFSEMIESA-N 0 0 375.222 3.115 10 30 GGEERN CSc1noc(-c2ccc(S(=O)(=O)NCc3ccccc3)s2)c1C#N ZINC000003120110 564193223 /nfs/dbraw/zinc/19/32/23/564193223.db2.gz VAPVLGVUPAWXQU-UHFFFAOYSA-N 0 0 391.499 3.475 10 30 GGEERN N#CC1(NC(=O)CSCc2ccc(Br)cc2F)CCOCC1 ZINC000115464182 564194562 /nfs/dbraw/zinc/19/45/62/564194562.db2.gz VIEOCPYXAQEQSQ-UHFFFAOYSA-N 0 0 387.274 3.010 10 30 GGEERN N#Cc1ccsc1NC(=O)COC(=O)CCC(=O)c1ccc(Cl)s1 ZINC000005246477 564214513 /nfs/dbraw/zinc/21/45/13/564214513.db2.gz PAOSTETVKNMUQJ-UHFFFAOYSA-N 0 0 382.850 3.479 10 30 GGEERN COC(=O)C1=NN(c2cccc(Cl)c2)[C@@]2(S1)SC(C(C)=O)=C(C)N2C ZINC000006809980 564227936 /nfs/dbraw/zinc/22/79/36/564227936.db2.gz FUDGPIVZGCBTAV-MRXNPFEDSA-N 0 0 397.909 3.490 10 30 GGEERN COC(=O)C1=NN(c2cccc(C)c2)[C@]2(S1)SC(C(C)=O)=C(C)N2C ZINC000006809975 564228209 /nfs/dbraw/zinc/22/82/09/564228209.db2.gz XYTYVUGEXQCXEA-KRWDZBQOSA-N 0 0 377.491 3.145 10 30 GGEERN COC(=O)C1=NN(c2ccc(C)cc2)[C@]2(S1)SC(C(C)=O)=C(C)N2C ZINC000006809977 564228310 /nfs/dbraw/zinc/22/83/10/564228310.db2.gz HDZSGOREAGVLHS-KRWDZBQOSA-N 0 0 377.491 3.145 10 30 GGEERN COc1ccc(N2N=C(C(C)=O)S[C@@]23SC(C(C)=O)=C(C)N3C)cc1 ZINC000006809966 564228333 /nfs/dbraw/zinc/22/83/33/564228333.db2.gz WOUVAUOIIRIVNK-QGZVFWFLSA-N 0 0 377.491 3.261 10 30 GGEERN N#C[C@@H](NC(=O)c1cccc(I)c1)c1ccc(F)cc1 ZINC000007067517 564232152 /nfs/dbraw/zinc/23/21/52/564232152.db2.gz BMDPPRBCFIOJQE-CQSZACIVSA-N 0 0 380.160 3.425 10 30 GGEERN CCC(=O)N(c1nnc(SCC(=O)Nc2sccc2C#N)s1)C1CC1 ZINC000007672976 564239174 /nfs/dbraw/zinc/23/91/74/564239174.db2.gz IMJKQONUKPSTSI-UHFFFAOYSA-N 0 0 393.519 3.107 10 30 GGEERN N#Cc1ccc(OCCNC(=O)Cc2cc(F)ccc2Br)cc1 ZINC000119091365 564254028 /nfs/dbraw/zinc/25/40/28/564254028.db2.gz PLKCSCPRGVUNCM-UHFFFAOYSA-N 0 0 377.213 3.198 10 30 GGEERN COc1cccc2c1O/C(=N\O)[C@H](C(=O)Nc1cccc(Br)c1)C2 ZINC000012473521 564268562 /nfs/dbraw/zinc/26/85/62/564268562.db2.gz UGKXBHPSGXKQKB-ITEXZYEPSA-N 0 0 391.221 3.435 10 30 GGEERN C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000015619680 564289304 /nfs/dbraw/zinc/28/93/04/564289304.db2.gz OKCOGQSGMRFMCX-ZDUSSCGKSA-N 0 0 378.881 3.295 10 30 GGEERN CN(Cc1ccc(F)cc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000119866391 564292904 /nfs/dbraw/zinc/29/29/04/564292904.db2.gz LKQMMYHQZLOURU-UHFFFAOYSA-N 0 0 383.788 3.080 10 30 GGEERN C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2cccc(Cl)c2)cc1 ZINC000017908717 564299343 /nfs/dbraw/zinc/29/93/43/564299343.db2.gz ITZOEDGEYOYDQB-CYBMUJFWSA-N 0 0 378.881 3.295 10 30 GGEERN CCOC(=O)CSc1nnc(NN=C(C)c2ccc(Br)cc2)[nH]1 ZINC000020167742 564305340 /nfs/dbraw/zinc/30/53/40/564305340.db2.gz JRUWHPTYZNKTHV-RQZCQDPDSA-N 0 0 398.286 3.059 10 30 GGEERN C=CCOc1c(Br)cc(CN(C)CC(=O)NC(C)(C)C)cc1OC ZINC000120677400 564332232 /nfs/dbraw/zinc/33/22/32/564332232.db2.gz SOHIIYUOFOPEFT-UHFFFAOYSA-N 0 0 399.329 3.369 10 30 GGEERN CC(C)(C#N)NS(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000120893251 564342000 /nfs/dbraw/zinc/34/20/00/564342000.db2.gz CMERKWKFOXJSST-UHFFFAOYSA-N 0 0 386.296 3.153 10 30 GGEERN CCCC(C#N)(CCC)NC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000121632754 564378463 /nfs/dbraw/zinc/37/84/63/564378463.db2.gz RTDGDGITIYDNFA-UHFFFAOYSA-N 0 0 391.273 3.017 10 30 GGEERN N#Cc1cccc(NC(=O)C[S@](=O)Cc2csc(Br)c2)c1 ZINC000121864521 564390798 /nfs/dbraw/zinc/39/07/98/564390798.db2.gz FZVCHKQRKYCXLL-NRFANRHFSA-N 0 0 383.292 3.270 10 30 GGEERN C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccc(Cl)s1 ZINC000033192355 564411998 /nfs/dbraw/zinc/41/19/98/564411998.db2.gz LNNDEMFYAPIJJL-LLVKDONJSA-N 0 0 397.909 3.084 10 30 GGEERN C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccc(Cl)s1 ZINC000033192356 564412086 /nfs/dbraw/zinc/41/20/86/564412086.db2.gz LNNDEMFYAPIJJL-NSHDSACASA-N 0 0 397.909 3.084 10 30 GGEERN N#Cc1ccc(Cl)c(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1 ZINC000123730211 564459679 /nfs/dbraw/zinc/45/96/79/564459679.db2.gz OGKWTYNBPSGMEH-UHFFFAOYSA-N 0 0 385.228 3.437 10 30 GGEERN CC[C@@H](C#N)NC(=O)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 ZINC000123754004 564460531 /nfs/dbraw/zinc/46/05/31/564460531.db2.gz XVXAWQAIZFMFAA-SWLSCSKDSA-N 0 0 396.260 3.001 10 30 GGEERN C=CCN(Cc1cccs1)C(=O)c1cnn2cc(Br)cnc12 ZINC000124384454 564480856 /nfs/dbraw/zinc/48/08/56/564480856.db2.gz QNUGAFINWIFQBE-UHFFFAOYSA-N 0 0 377.267 3.382 10 30 GGEERN CC(C)N(CCc1nccs1)C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000124804782 564493142 /nfs/dbraw/zinc/49/31/42/564493142.db2.gz NECGBPKVDQOGSY-UHFFFAOYSA-N 0 0 376.869 3.086 10 30 GGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(S(N)(=O)=O)c1C ZINC000125142897 564504478 /nfs/dbraw/zinc/50/44/78/564504478.db2.gz IWOCKDLQOICPJT-UHFFFAOYSA-N 0 0 384.910 3.186 10 30 GGEERN COc1ccc(Br)c(CNC(=O)[C@@H](C)Oc2ccccc2C#N)c1 ZINC000046738799 564507104 /nfs/dbraw/zinc/50/71/04/564507104.db2.gz YYCYWHNAGHWILZ-GFCCVEGCSA-N 0 0 389.249 3.413 10 30 GGEERN C[C@H](C#N)NC(=O)Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000125263388 564508097 /nfs/dbraw/zinc/50/80/97/564508097.db2.gz YRYDQWBYNIOPTL-GFCCVEGCSA-N 0 0 386.249 3.272 10 30 GGEERN C[C@H](C#N)NC(=O)Cc1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000125263858 564508580 /nfs/dbraw/zinc/50/85/80/564508580.db2.gz GRHZPVGMCAYQCJ-GFCCVEGCSA-N 0 0 386.249 3.272 10 30 GGEERN C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2csc(Br)c2)C1=O ZINC000047971656 564530027 /nfs/dbraw/zinc/53/00/27/564530027.db2.gz IDTDNYMVWYUCOH-INIZCTEOSA-N 0 0 390.262 3.349 10 30 GGEERN N#Cc1cnc(N2CCC[C@@H]2c2ccc(I)cc2)cn1 ZINC000125984213 564532694 /nfs/dbraw/zinc/53/26/94/564532694.db2.gz JQQBIKKJMACZJL-CQSZACIVSA-N 0 0 376.201 3.294 10 30 GGEERN N#Cc1ccc(C(=O)Nc2nccn2Cc2ccc(Br)cc2)cn1 ZINC000126733500 564559888 /nfs/dbraw/zinc/55/98/88/564559888.db2.gz BQAOYUQTZPNXKM-UHFFFAOYSA-N 0 0 382.221 3.213 10 30 GGEERN N#Cc1nccn1CC(=O)c1cc(Br)sc1Br ZINC000126774365 564561702 /nfs/dbraw/zinc/56/17/02/564561702.db2.gz QUVKXHCOYGEGSW-UHFFFAOYSA-N 0 0 375.045 3.224 10 30 GGEERN CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cc2cccc(Br)c2o1 ZINC000051178240 564562100 /nfs/dbraw/zinc/56/21/00/564562100.db2.gz XDOZUOAGDVQUMC-NSHDSACASA-N 0 0 393.237 3.360 10 30 GGEERN COC(=O)C[C@H](NC(=O)c1sccc1C#N)c1cccc(Br)c1 ZINC000052032490 564569643 /nfs/dbraw/zinc/56/96/43/564569643.db2.gz NRRJBDNSICIWAY-ZDUSSCGKSA-N 0 0 393.262 3.416 10 30 GGEERN Cc1cc(Br)c(S(=O)(=O)NC(C)(C)C#N)cc1Br ZINC000127302629 564580145 /nfs/dbraw/zinc/58/01/45/564580145.db2.gz JAZPJIPFXHKWKX-UHFFFAOYSA-N 0 0 396.104 3.101 10 30 GGEERN N#Cc1ccc(OCC(=O)N[C@@H]2CCOc3ccc(Br)cc32)cc1 ZINC000053411589 564587535 /nfs/dbraw/zinc/58/75/35/564587535.db2.gz IRZXDWQGXPFKEI-MRXNPFEDSA-N 0 0 387.233 3.340 10 30 GGEERN CC(=O)NCc1ccc(C(=O)N[C@H](C#N)c2cccc(Br)c2)s1 ZINC000127676061 564591832 /nfs/dbraw/zinc/59/18/32/564591832.db2.gz NCFHGNJQJWLEFY-CQSZACIVSA-N 0 0 392.278 3.141 10 30 GGEERN N#Cc1cc(S(=O)(=O)NC2CCN(c3ccccc3)CC2)ccc1Cl ZINC000053672331 564592895 /nfs/dbraw/zinc/59/28/95/564592895.db2.gz IYOCIUCDWZSGQX-UHFFFAOYSA-N 0 0 375.881 3.159 10 30 GGEERN CC(C)(C)c1noc(CCC(=O)N[C@@H](C#N)c2cccc(Br)c2)n1 ZINC000127719598 564593647 /nfs/dbraw/zinc/59/36/47/564593647.db2.gz WLYQJABPDURTPJ-ZDUSSCGKSA-N 0 0 391.269 3.443 10 30 GGEERN CSCCCC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000127965925 564602510 /nfs/dbraw/zinc/60/25/10/564602510.db2.gz REKAJQPZUPSCOC-MRXNPFEDSA-N 0 0 396.354 3.301 10 30 GGEERN CN(CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccc(Br)cc1 ZINC000128164282 564609562 /nfs/dbraw/zinc/60/95/62/564609562.db2.gz PWZXPJBNBGJJMC-UHFFFAOYSA-N 0 0 393.306 3.226 10 30 GGEERN N#Cc1cc(S(=O)(=O)NC[C@@H]2CCN(c3ccccc3)C2)ccc1Cl ZINC000055239550 564617218 /nfs/dbraw/zinc/61/72/18/564617218.db2.gz LTBMXPUXEVSCHZ-AWEZNQCLSA-N 0 0 375.881 3.016 10 30 GGEERN CCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000055611212 564626757 /nfs/dbraw/zinc/62/67/57/564626757.db2.gz QQTSZISWBHLWMK-UHFFFAOYSA-N 0 0 377.853 3.071 10 30 GGEERN COCCOCc1cccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000055632614 564627022 /nfs/dbraw/zinc/62/70/22/564627022.db2.gz WKVDGKPITYCUPB-UHFFFAOYSA-N 0 0 380.853 3.175 10 30 GGEERN Cc1nc(NC(=O)NCCOc2ccc(C#N)cc2)ccc1Br ZINC000128839325 564631028 /nfs/dbraw/zinc/63/10/28/564631028.db2.gz CDZFHKKSNAUUAJ-UHFFFAOYSA-N 0 0 375.226 3.225 10 30 GGEERN COc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1OC ZINC000055960198 564635742 /nfs/dbraw/zinc/63/57/42/564635742.db2.gz LJHKMIPMHCUPGW-UHFFFAOYSA-N 0 0 380.853 3.050 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)ccc1Cl ZINC000056031072 564637547 /nfs/dbraw/zinc/63/75/47/564637547.db2.gz NDGSVXOVKSGVJH-QGZVFWFLSA-N 0 0 380.828 3.113 10 30 GGEERN CC(=O)Nc1cccc([C@H](C)NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000056035785 564637658 /nfs/dbraw/zinc/63/76/58/564637658.db2.gz ZKGDHYNWPVBYQL-NSHDSACASA-N 0 0 377.853 3.210 10 30 GGEERN Cc1nc(C2(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)CCCCC2)no1 ZINC000056037195 564637922 /nfs/dbraw/zinc/63/79/22/564637922.db2.gz VQXYIZLSLQSSKF-UHFFFAOYSA-N 0 0 380.857 3.041 10 30 GGEERN CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1Cl ZINC000057125268 564660511 /nfs/dbraw/zinc/66/05/11/564660511.db2.gz BFQKAPAABDXLHQ-UHFFFAOYSA-N 0 0 398.271 3.368 10 30 GGEERN CS(=O)(=O)c1csc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c1 ZINC000130464032 564681949 /nfs/dbraw/zinc/68/19/49/564681949.db2.gz ACRNJASQPICQHE-NSHDSACASA-N 0 0 389.285 3.453 10 30 GGEERN COc1ccc(Br)cc1S(=O)(=O)N[C@@]1(C#N)CCC[C@H](C)C1 ZINC000130517614 564684892 /nfs/dbraw/zinc/68/48/92/564684892.db2.gz UXIWEKWLUCVVDI-NHYWBVRUSA-N 0 0 387.299 3.208 10 30 GGEERN N#Cc1cccc(S(=O)(=O)CCn2nnc3cc(Cl)c(Cl)cc32)c1 ZINC000130591656 564686244 /nfs/dbraw/zinc/68/62/44/564686244.db2.gz KYCAYMJJWBYBLL-UHFFFAOYSA-N 0 0 381.244 3.084 10 30 GGEERN C=CC1CCN(C(=O)c2cc(S(C)(=O)=O)cc(Br)c2C)CC1 ZINC000131431807 564711807 /nfs/dbraw/zinc/71/18/07/564711807.db2.gz CGOWXZVTNYOKBR-UHFFFAOYSA-N 0 0 386.311 3.199 10 30 GGEERN COc1ccc(C(C)(C)CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000063773689 564722773 /nfs/dbraw/zinc/72/27/73/564722773.db2.gz SSGJMRGDACZTNB-UHFFFAOYSA-N 0 0 378.881 3.476 10 30 GGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)c1sc(S(N)(=O)=O)cc1C ZINC000063854410 564724318 /nfs/dbraw/zinc/72/43/18/564724318.db2.gz UHBLCQCDEJKABL-UHFFFAOYSA-N 0 0 390.939 3.247 10 30 GGEERN C=CC[C@@H](C)NC(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000132418238 564742622 /nfs/dbraw/zinc/74/26/22/564742622.db2.gz VYEZRYNTZJTMGP-LLVKDONJSA-N 0 0 381.263 3.258 10 30 GGEERN CCCCNC(=O)[C@H](C#N)C(=O)[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000132701214 564750900 /nfs/dbraw/zinc/75/09/00/564750900.db2.gz JOZWGFITHOYPDP-WCQYABFASA-N 0 0 383.261 3.392 10 30 GGEERN CC[C@H](C)C(=O)COc1c(I)cc(C#N)cc1[N+](=O)[O-] ZINC000132729102 564751636 /nfs/dbraw/zinc/75/16/36/564751636.db2.gz QDRXGAKVQUKQSD-QMMMGPOBSA-N 0 0 388.161 3.065 10 30 GGEERN C=CCN(CC=C)C(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000132992012 564759709 /nfs/dbraw/zinc/75/97/09/564759709.db2.gz SMXQMWOXVDIICP-ZDUSSCGKSA-N 0 0 386.311 3.060 10 30 GGEERN C=CCN(CC(F)(F)F)C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000066292510 564760643 /nfs/dbraw/zinc/76/06/43/564760643.db2.gz SMSQKDGYBHRTIC-UHFFFAOYSA-N 0 0 399.232 3.160 10 30 GGEERN CCN(CCC#N)C(=O)c1cccn1-c1cccc(I)c1 ZINC000133309387 564769237 /nfs/dbraw/zinc/76/92/37/564769237.db2.gz NTVRHEQRDDZAAR-UHFFFAOYSA-N 0 0 393.228 3.458 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCO[C@H](c3cccc(F)c3)C2)ccc1Cl ZINC000066933882 564778314 /nfs/dbraw/zinc/77/83/14/564778314.db2.gz GAXWWZFRMUXJSW-KRWDZBQOSA-N 0 0 380.828 3.113 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCO[C@@H](c3ccccc3F)C2)ccc1Cl ZINC000066933641 564778817 /nfs/dbraw/zinc/77/88/17/564778817.db2.gz RHUJKQRZBVACRC-QGZVFWFLSA-N 0 0 380.828 3.113 10 30 GGEERN C[C@@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000066934439 564779403 /nfs/dbraw/zinc/77/94/03/564779403.db2.gz PPBMFKZCCIXIFA-FZKQIMNGSA-N 0 0 376.865 3.362 10 30 GGEERN C[C@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000066934442 564779495 /nfs/dbraw/zinc/77/94/95/564779495.db2.gz OMRJADAEUSFZFO-UGSOOPFHSA-N 0 0 376.865 3.362 10 30 GGEERN C[C@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000066934438 564779698 /nfs/dbraw/zinc/77/96/98/564779698.db2.gz PPBMFKZCCIXIFA-UGSOOPFHSA-N 0 0 376.865 3.362 10 30 GGEERN N#Cc1ccc(C(=O)N[C@H](CO)c2cccc(Br)c2)cc1Cl ZINC000133942303 564789655 /nfs/dbraw/zinc/78/96/55/564789655.db2.gz AKKVSEXHDYHFON-OAHLLOKOSA-N 0 0 379.641 3.438 10 30 GGEERN N#CCCCCS(=O)(=O)NC[C@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000068879189 564828278 /nfs/dbraw/zinc/82/82/78/564828278.db2.gz HYKIIMBOJRZPNO-MRXNPFEDSA-N 0 0 387.908 3.229 10 30 GGEERN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000135742299 564839787 /nfs/dbraw/zinc/83/97/87/564839787.db2.gz YTSJSDBVHIXDSE-XIKOKIGWSA-N 0 0 376.865 3.224 10 30 GGEERN C[C@H](Oc1ccccc1C#N)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000135836387 564841313 /nfs/dbraw/zinc/84/13/13/564841313.db2.gz XTFPBCHMRRUERZ-NSHDSACASA-N 0 0 380.231 3.223 10 30 GGEERN O=C1N[C@H](c2ccc(F)cc2)C(=O)C(c2ccc(Br)cc2)C1=O ZINC000136638996 564852839 /nfs/dbraw/zinc/85/28/39/564852839.db2.gz OMOXOKUXXGGWSN-CQSZACIVSA-N 0 0 376.181 3.298 10 30 GGEERN CS(=O)(=O)N(CCOc1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000078440820 564863822 /nfs/dbraw/zinc/86/38/22/564863822.db2.gz ZNMMQGGSKUZWFF-UHFFFAOYSA-N 0 0 395.278 3.166 10 30 GGEERN COc1cc(Br)cc(OC)c1OCC(=O)Nc1ccc(C#N)cc1 ZINC000138732318 564867616 /nfs/dbraw/zinc/86/76/16/564867616.db2.gz LLRICIUIEGVKKJ-UHFFFAOYSA-N 0 0 391.221 3.355 10 30 GGEERN C=CCOc1c(Br)cc(CN(C)Cc2cnccn2)cc1OC ZINC000092591279 564879225 /nfs/dbraw/zinc/87/92/25/564879225.db2.gz QBFQBJQGSUSLSU-UHFFFAOYSA-N 0 0 378.270 3.445 10 30 GGEERN COc1ccc(Br)cc1CNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000149039254 564884954 /nfs/dbraw/zinc/88/49/54/564884954.db2.gz DXJGQAAKLVOMTG-GFCCVEGCSA-N 0 0 389.249 3.413 10 30 GGEERN N#Cc1ccc(CN2CCN(Cc3ccc(Br)c(F)c3)CC2)o1 ZINC000093772079 564889316 /nfs/dbraw/zinc/88/93/16/564889316.db2.gz JITWGIQNOWTWQX-UHFFFAOYSA-N 0 0 378.245 3.371 10 30 GGEERN Cc1n[nH]c2cc(NS(=O)(=O)c3cc(Br)cc(C#N)c3)ccc12 ZINC000093909318 564892983 /nfs/dbraw/zinc/89/29/83/564892983.db2.gz NYVSMJHXNXGTPV-UHFFFAOYSA-N 0 0 391.250 3.306 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)c(F)c1 ZINC000151088773 564904145 /nfs/dbraw/zinc/90/41/45/564904145.db2.gz ZLWSXYQIMQRBDY-INIZCTEOSA-N 0 0 380.828 3.113 10 30 GGEERN COc1cc(CN(C)S(=O)(=O)c2ccc(F)c(C#N)c2)ccc1SC ZINC000097549635 564908549 /nfs/dbraw/zinc/90/85/49/564908549.db2.gz IJQPMWYRAVCCHG-UHFFFAOYSA-N 0 0 380.466 3.249 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCc3cccc(Br)c3C2)c(F)c1 ZINC000151207375 564909733 /nfs/dbraw/zinc/90/97/33/564909733.db2.gz KZISPZRKVSBJAC-UHFFFAOYSA-N 0 0 395.253 3.207 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCC[C@@H](Nc3ccccc3)C2)ccc1Cl ZINC000151867233 564939417 /nfs/dbraw/zinc/93/94/17/564939417.db2.gz VPIAMJIMYHOWHM-MRXNPFEDSA-N 0 0 375.881 3.477 10 30 GGEERN C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1ccccc1Br ZINC000102962258 564940635 /nfs/dbraw/zinc/94/06/35/564940635.db2.gz FDEIHCOSJYPHNF-SNVBAGLBSA-N 0 0 390.212 3.276 10 30 GGEERN N#Cc1ccc(NC(=O)CCN2CCO[C@@H](c3nccs3)C2)cc1Cl ZINC000103478904 564949657 /nfs/dbraw/zinc/94/96/57/564949657.db2.gz FOHJQWYLNBPZFZ-OAHLLOKOSA-N 0 0 376.869 3.070 10 30 GGEERN C[C@H](CC#N)N(C)S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000103496431 564949671 /nfs/dbraw/zinc/94/96/71/564949671.db2.gz QCBNHHINIDEEFL-MRVPVSSYSA-N 0 0 385.205 3.391 10 30 GGEERN C=C(C)CN1C(=O)C(=CNc2ccc(Cl)cc2Cl)C(=O)N(C)C1=S ZINC000103840230 564951395 /nfs/dbraw/zinc/95/13/95/564951395.db2.gz RKUQUEZOSWFZIO-XFFZJAGNSA-N 0 0 384.288 3.451 10 30 GGEERN O=C1NC(=Cc2ccc(Br)cc2)C(=O)C1=CNCc1ccccc1 ZINC000104251673 564953957 /nfs/dbraw/zinc/95/39/57/564953957.db2.gz IJGYTFDJDWWEMP-PVHNWZPTSA-N 0 0 383.245 3.163 10 30 GGEERN Cc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c(Br)c1 ZINC000105752710 564974276 /nfs/dbraw/zinc/97/42/76/564974276.db2.gz MGOVSIYKMDUYML-UHFFFAOYSA-N 0 0 390.212 3.023 10 30 GGEERN C=CCn1c(C2CC2)nnc1S(=O)(=O)Cc1ccc(Br)s1 ZINC000153091245 564984286 /nfs/dbraw/zinc/98/42/86/564984286.db2.gz SVKQUUWOKJAZHY-UHFFFAOYSA-N 0 0 388.312 3.139 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)cn1 ZINC000153479433 564997268 /nfs/dbraw/zinc/99/72/68/564997268.db2.gz HVDCCBFEBBVRRJ-ZDUSSCGKSA-N 0 0 375.759 3.189 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)cn1 ZINC000153479499 564997460 /nfs/dbraw/zinc/99/74/60/564997460.db2.gz HVDCCBFEBBVRRJ-CYBMUJFWSA-N 0 0 375.759 3.189 10 30 GGEERN COc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)c(C#N)c2)c(OC)c1 ZINC000107658841 565001204 /nfs/dbraw/zinc/00/12/04/565001204.db2.gz QPFDGMQXYNPLCW-UHFFFAOYSA-N 0 0 380.853 3.050 10 30 GGEERN N#Cc1ccc(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(F)c1 ZINC000153661665 565005631 /nfs/dbraw/zinc/00/56/31/565005631.db2.gz AUHQQQAMXRHMBR-UHFFFAOYSA-N 0 0 378.157 3.298 10 30 GGEERN N#C[C@@H](NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)C1CC1 ZINC000108829232 565017326 /nfs/dbraw/zinc/01/73/26/565017326.db2.gz JPWXVYAGPNBTJJ-CYBMUJFWSA-N 0 0 388.221 3.326 10 30 GGEERN Cc1ccc(C(=O)N[C@H](C)c2ccc(Cl)s2)cc1S(=O)(=O)NCC#N ZINC000108774861 565017565 /nfs/dbraw/zinc/01/75/65/565017565.db2.gz UOAPPMPSGLFKHT-LLVKDONJSA-N 0 0 397.909 3.003 10 30 GGEERN N#C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1)C1CC1 ZINC000108842202 565018064 /nfs/dbraw/zinc/01/80/64/565018064.db2.gz IPENOBLFZPGOGV-XJKSGUPXSA-N 0 0 380.275 3.264 10 30 GGEERN N#CCCCCS(=O)(=O)N1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000109340458 565023981 /nfs/dbraw/zinc/02/39/81/565023981.db2.gz VBVJGKAYDQMFID-INIZCTEOSA-N 0 0 385.327 3.480 10 30 GGEERN C=CCCCN(C)S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000154281101 565032756 /nfs/dbraw/zinc/03/27/56/565032756.db2.gz HLQQJRJNRVZPKS-UHFFFAOYSA-N 0 0 378.288 3.053 10 30 GGEERN COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C#N)cc2)c(Cl)c1 ZINC000110251867 565038154 /nfs/dbraw/zinc/03/81/54/565038154.db2.gz QVOVDWRQKYVGFM-NSHDSACASA-N 0 0 378.837 3.038 10 30 GGEERN C=CCn1c(SC[C@H](C)CS(C)(=O)=O)nc2cc(Cl)ccc2c1=O ZINC000154435763 565039455 /nfs/dbraw/zinc/03/94/55/565039455.db2.gz GUIDYBBSRBWWKD-NSHDSACASA-N 0 0 386.926 3.009 10 30 GGEERN COc1cc(C#N)cc(Br)c1OC[C@@H](O)COCc1ccccc1 ZINC000154471895 565040830 /nfs/dbraw/zinc/04/08/30/565040830.db2.gz VOESLORCYUHXRC-HNNXBMFYSA-N 0 0 392.249 3.286 10 30 GGEERN CC(C)[C@H](C#N)N1CCN(C(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000111224751 565050932 /nfs/dbraw/zinc/05/09/32/565050932.db2.gz WKMPQSLBVZKSLO-HNNXBMFYSA-N 0 0 384.307 3.455 10 30 GGEERN CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000111223683 565051145 /nfs/dbraw/zinc/05/11/45/565051145.db2.gz VJNDTERBFSEWJK-XJKSGUPXSA-N 0 0 384.307 3.453 10 30 GGEERN CC(C)[C@@H](C#N)N1CCN(C(=O)CCOc2cccc(Cl)c2Cl)CC1 ZINC000111224749 565051202 /nfs/dbraw/zinc/05/12/02/565051202.db2.gz WKMPQSLBVZKSLO-OAHLLOKOSA-N 0 0 384.307 3.455 10 30 GGEERN C=C(C)CN(CC)C(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000155122475 565062076 /nfs/dbraw/zinc/06/20/76/565062076.db2.gz WLTUGWIHXWILKV-CYBMUJFWSA-N 0 0 388.327 3.284 10 30 GGEERN N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000155223034 565064570 /nfs/dbraw/zinc/06/45/70/565064570.db2.gz RJQIFYBCOGJYOU-CQSZACIVSA-N 0 0 381.251 3.440 10 30 GGEERN C[C@@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000112624747 565065105 /nfs/dbraw/zinc/06/51/05/565065105.db2.gz JIJDFYLZLAWOSB-DYVFJYSZSA-N 0 0 376.865 3.362 10 30 GGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000112632256 565065327 /nfs/dbraw/zinc/06/53/27/565065327.db2.gz GJQKSUNTNQCIMW-UHFFFAOYSA-N 0 0 389.171 3.481 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)N1CCc2ccccc21 ZINC000155387277 565066892 /nfs/dbraw/zinc/06/68/92/565066892.db2.gz KNPBJPPOVJWNCQ-UHFFFAOYSA-N 0 0 387.233 3.297 10 30 GGEERN CNC(=O)c1cccc(COc2c(Br)cc(C#N)cc2OC)c1 ZINC000155389299 565066914 /nfs/dbraw/zinc/06/69/14/565066914.db2.gz XNBGWEBQAAQHMG-UHFFFAOYSA-N 0 0 375.222 3.268 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CCCC[C@H]1C ZINC000155380441 565066971 /nfs/dbraw/zinc/06/69/71/565066971.db2.gz BDQBDZMWLINNHE-BXUZGUMPSA-N 0 0 381.270 3.403 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CCCC[C@@H]1C ZINC000155380343 565066982 /nfs/dbraw/zinc/06/69/82/565066982.db2.gz BDQBDZMWLINNHE-FZMZJTMJSA-N 0 0 381.270 3.403 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000155387614 565066984 /nfs/dbraw/zinc/06/69/84/565066984.db2.gz AXBKPHHAZUEOOD-TXEJJXNPSA-N 0 0 381.270 3.498 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000155397625 565067163 /nfs/dbraw/zinc/06/71/63/565067163.db2.gz VOWJGURXJDUIFS-NSHDSACASA-N 0 0 393.281 3.498 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)N(C)C1CCCCC1 ZINC000155395924 565067254 /nfs/dbraw/zinc/06/72/54/565067254.db2.gz LVUNRKDYWCYTGB-UHFFFAOYSA-N 0 0 381.270 3.499 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)NCc1ccccc1C ZINC000155396932 565067298 /nfs/dbraw/zinc/06/72/98/565067298.db2.gz SUIRBZVYYLWDAX-UHFFFAOYSA-N 0 0 389.249 3.333 10 30 GGEERN N#CC1(C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)CCCC1 ZINC000155650025 565070296 /nfs/dbraw/zinc/07/02/96/565070296.db2.gz GRDNKBPPIXZETJ-UHFFFAOYSA-N 0 0 376.298 3.177 10 30 GGEERN C=CCN(Cc1cccc(C(=O)NC)c1)S(=O)(=O)c1cccc(Cl)c1 ZINC000113925708 565071560 /nfs/dbraw/zinc/07/15/60/565071560.db2.gz DLWVLXQCXBFIFX-UHFFFAOYSA-N 0 0 378.881 3.077 10 30 GGEERN C[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccc2c(c1)OCCO2 ZINC000156182005 565075627 /nfs/dbraw/zinc/07/56/27/565075627.db2.gz QGKQXDNRYIMSEG-LLVKDONJSA-N 0 0 378.837 3.022 10 30 GGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(I)cc1Cl ZINC000183551421 565078690 /nfs/dbraw/zinc/07/86/90/565078690.db2.gz LIDPWCVXJFPLHL-VIFPVBQESA-N 0 0 380.613 3.003 10 30 GGEERN C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@H](c2ccccc2)O1 ZINC000183546133 565078809 /nfs/dbraw/zinc/07/88/09/565078809.db2.gz OIOSHHAOAXVYIC-SUMWQHHRSA-N 0 0 376.865 3.362 10 30 GGEERN N#Cc1ccc(OCCNC(=O)Cc2ccc(Br)c(F)c2)cc1 ZINC000156327186 565080608 /nfs/dbraw/zinc/08/06/08/565080608.db2.gz FBNWBMWGZILVKI-UHFFFAOYSA-N 0 0 377.213 3.198 10 30 GGEERN C=CCn1c(C2CC2)nnc1S(=O)(=O)Cc1sc(C)nc1C(F)(F)F ZINC000183672831 565086021 /nfs/dbraw/zinc/08/60/21/565086021.db2.gz BJRBSSUTTRDGKI-UHFFFAOYSA-N 0 0 392.428 3.099 10 30 GGEERN Cc1cc(Br)ccc1CC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183674161 565087224 /nfs/dbraw/zinc/08/72/24/565087224.db2.gz JIOZKJINIDJULU-UHFFFAOYSA-N 0 0 396.248 3.391 10 30 GGEERN Cc1c(Br)cccc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183676122 565087397 /nfs/dbraw/zinc/08/73/97/565087397.db2.gz FZRTYHIJMXSPJU-UHFFFAOYSA-N 0 0 382.221 3.462 10 30 GGEERN Cc1nc(C(F)(F)F)c(C[S@@](=O)CC(=O)Nc2cccc(C#N)c2)s1 ZINC000183692087 565088437 /nfs/dbraw/zinc/08/84/37/565088437.db2.gz XIMGIWNJCNVRQU-RUZDIDTESA-N 0 0 387.408 3.229 10 30 GGEERN COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2C#N)cc1OC ZINC000156572848 565095236 /nfs/dbraw/zinc/09/52/36/565095236.db2.gz IJZODAQIVGTIEU-LLVKDONJSA-N 0 0 380.853 3.268 10 30 GGEERN COc1ccc([C@H](C)NS(=O)(=O)c2cccc(Cl)c2C#N)cc1OC ZINC000156572970 565095452 /nfs/dbraw/zinc/09/54/52/565095452.db2.gz NVIAUFWQAGGYKV-NSHDSACASA-N 0 0 380.853 3.268 10 30 GGEERN CC(C)c1nnc(CCC(=O)N[C@@H](C#N)c2ccc(Br)cc2)o1 ZINC000266956750 565097893 /nfs/dbraw/zinc/09/78/93/565097893.db2.gz XVIITGZNABOGOB-ZDUSSCGKSA-N 0 0 377.242 3.269 10 30 GGEERN C[C@@H](c1ccsc1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000183839132 565098149 /nfs/dbraw/zinc/09/81/49/565098149.db2.gz JLRCPKUMHVNLCY-ZDUSSCGKSA-N 0 0 395.937 3.341 10 30 GGEERN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)Nc1cccc(C#N)c1 ZINC000156649832 565099275 /nfs/dbraw/zinc/09/92/75/565099275.db2.gz YUIRAWCVVWDIBJ-UHFFFAOYSA-N 0 0 393.262 3.285 10 30 GGEERN N#Cc1c(Cl)cccc1S(=O)(=O)NC1CCN(c2ccccc2)CC1 ZINC000156704043 565102489 /nfs/dbraw/zinc/10/24/89/565102489.db2.gz HBQVELOTOLAKRP-UHFFFAOYSA-N 0 0 375.881 3.159 10 30 GGEERN C[C@@]12CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C[C@@H]1C2(F)F ZINC000292192480 565104224 /nfs/dbraw/zinc/10/42/24/565104224.db2.gz GCKFCQPBIKLFNN-QWHCGFSZSA-N 0 0 380.338 3.243 10 30 GGEERN N#CCCCS(=O)(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000369674650 565104847 /nfs/dbraw/zinc/10/48/47/565104847.db2.gz XOFFUHTXAJXZTO-UHFFFAOYSA-N 0 0 376.507 3.018 10 30 GGEERN C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1cn[nH]c1 ZINC000292216756 565104911 /nfs/dbraw/zinc/10/49/11/565104911.db2.gz SOCZIZBKEHHHNK-UHFFFAOYSA-N 0 0 381.249 3.252 10 30 GGEERN CCC[C@@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)N(C)C ZINC000156804496 565106218 /nfs/dbraw/zinc/10/62/18/565106218.db2.gz AYMPYVSLAJXCPM-AWEZNQCLSA-N 0 0 375.523 3.371 10 30 GGEERN Cc1nc2c(s1)[C@@H](N(C)CCS(=O)(=O)c1cccc(C#N)c1)CCC2 ZINC000156903763 565110128 /nfs/dbraw/zinc/11/01/28/565110128.db2.gz JBAUVSPADHEMTQ-KRWDZBQOSA-N 0 0 375.519 3.106 10 30 GGEERN Cc1c(C#N)cccc1NC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000184034654 565110649 /nfs/dbraw/zinc/11/06/49/565110649.db2.gz QCSLGVONOHNFJH-UHFFFAOYSA-N 0 0 386.205 3.212 10 30 GGEERN N#Cc1c(Cl)cccc1S(=O)(=O)NCCCCOCc1ccccc1 ZINC000156936718 565111925 /nfs/dbraw/zinc/11/19/25/565111925.db2.gz JEEFQZDWHUJUHF-UHFFFAOYSA-N 0 0 378.881 3.487 10 30 GGEERN C[C@@](C#N)(NC(=O)CN1CCC[C@@H]1c1ccc(Br)s1)C1CC1 ZINC000369908675 565118060 /nfs/dbraw/zinc/11/80/60/565118060.db2.gz AMJYMPISSYUDEB-WBMJQRKESA-N 0 0 382.327 3.456 10 30 GGEERN C[C@](C#N)(NC(=O)CN1CCC[C@@H]1c1ccc(Br)s1)C1CC1 ZINC000369908674 565118780 /nfs/dbraw/zinc/11/87/80/565118780.db2.gz AMJYMPISSYUDEB-MLGOLLRUSA-N 0 0 382.327 3.456 10 30 GGEERN Cc1nc(C(F)(F)F)c(CN(c2cccc(C#N)c2)S(C)(=O)=O)s1 ZINC000184193323 565119225 /nfs/dbraw/zinc/11/92/25/565119225.db2.gz YHRFOCFCFOZXND-UHFFFAOYSA-N 0 0 375.397 3.308 10 30 GGEERN Cc1csc([C@H](C)NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)n1 ZINC000157136687 565119753 /nfs/dbraw/zinc/11/97/53/565119753.db2.gz MKTMGHMCOJOUDE-VIFPVBQESA-N 0 0 375.397 3.382 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCC(C(=O)c3cccs3)CC2)ccc1F ZINC000370114024 565129035 /nfs/dbraw/zinc/12/90/35/565129035.db2.gz SXZWRBJYGBDBEU-UHFFFAOYSA-N 0 0 378.450 3.042 10 30 GGEERN N#Cc1ccc(OC2CN(C(=O)c3n[nH]c4ccc(Br)cc43)C2)cc1 ZINC000184330880 565129886 /nfs/dbraw/zinc/12/98/86/565129886.db2.gz UZZDJLNXZSVOES-UHFFFAOYSA-N 0 0 397.232 3.100 10 30 GGEERN N#C[C@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000370257534 565135407 /nfs/dbraw/zinc/13/54/07/565135407.db2.gz RCYCKEONJGBAIG-ZIAGYGMSSA-N 0 0 377.447 3.117 10 30 GGEERN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000370257528 565135503 /nfs/dbraw/zinc/13/55/03/565135503.db2.gz RCYCKEONJGBAIG-KBPBESRZSA-N 0 0 377.447 3.117 10 30 GGEERN CCc1csc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3C#N)C2)n1 ZINC000157555841 565135913 /nfs/dbraw/zinc/13/59/13/565135913.db2.gz XSYPOSUWBSPYQN-LBPRGKRZSA-N 0 0 379.482 3.285 10 30 GGEERN CCc1csc([C@H]2CCCN(S(=O)(=O)c3cccc(C)c3C#N)C2)n1 ZINC000157555533 565135968 /nfs/dbraw/zinc/13/59/68/565135968.db2.gz NRKWZEZQIXNVQA-AWEZNQCLSA-N 0 0 375.519 3.454 10 30 GGEERN C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000370286630 565136492 /nfs/dbraw/zinc/13/64/92/565136492.db2.gz XJQRFKGCUADGJV-IUODEOHRSA-N 0 0 386.315 3.065 10 30 GGEERN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000370286631 565136904 /nfs/dbraw/zinc/13/69/04/565136904.db2.gz XJQRFKGCUADGJV-SWLSCSKDSA-N 0 0 386.315 3.065 10 30 GGEERN Cc1nn(C)c(C)c1[C@@H]1CCCN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184495644 565139845 /nfs/dbraw/zinc/13/98/45/565139845.db2.gz YHZUJOZPEOUUBL-HNNXBMFYSA-N 0 0 378.885 3.088 10 30 GGEERN CC[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1nccs1 ZINC000157832570 565145453 /nfs/dbraw/zinc/14/54/53/565145453.db2.gz LTXMBMAAQYPKHM-NSHDSACASA-N 0 0 375.397 3.463 10 30 GGEERN N#C[C@H]1CN(C(=O)Nc2cc3c(cc2Br)CCC3)CCN1C1CC1 ZINC000370639701 565153149 /nfs/dbraw/zinc/15/31/49/565153149.db2.gz JSPZDKXJVCAKKL-HNNXBMFYSA-N 0 0 389.297 3.142 10 30 GGEERN C=CCCCN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br ZINC000184737970 565155443 /nfs/dbraw/zinc/15/54/43/565155443.db2.gz TZIYBWPGUAHQOL-UHFFFAOYSA-N 0 0 384.230 3.029 10 30 GGEERN N#Cc1ccc(OC2CCN(C(=O)c3ccncc3Br)CC2)cc1 ZINC000268630699 565161611 /nfs/dbraw/zinc/16/16/11/565161611.db2.gz OUJOJMUHDLCPDU-UHFFFAOYSA-N 0 0 386.249 3.399 10 30 GGEERN N#Cc1cc(S(=O)(=O)Nc2ccc(O[C@H]3CCOC3)cc2)ccc1Cl ZINC000158246980 565162315 /nfs/dbraw/zinc/16/23/15/565162315.db2.gz NNWYIRKXUMMMGZ-HNNXBMFYSA-N 0 0 378.837 3.180 10 30 GGEERN CC(C)c1nc([C@@H]2CCCN2S(=O)(=O)c2cc(C#N)ccc2Cl)no1 ZINC000184963201 565167281 /nfs/dbraw/zinc/16/72/81/565167281.db2.gz JQQMBVOPXVEYTE-ZDUSSCGKSA-N 0 0 380.857 3.244 10 30 GGEERN CC(C)c1nc([C@H]2CCCN2S(=O)(=O)c2cc(C#N)ccc2Cl)no1 ZINC000184963215 565168544 /nfs/dbraw/zinc/16/85/44/565168544.db2.gz JQQMBVOPXVEYTE-CYBMUJFWSA-N 0 0 380.857 3.244 10 30 GGEERN N#Cc1ccc(F)cc1CN1CCN(c2ccc(Br)cn2)CC1 ZINC000158466077 565171154 /nfs/dbraw/zinc/17/11/54/565171154.db2.gz RVMIZQGQWTUYPN-UHFFFAOYSA-N 0 0 375.245 3.177 10 30 GGEERN N#Cc1ccc(NC(=O)C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)cc1 ZINC000371051051 565174771 /nfs/dbraw/zinc/17/47/71/565174771.db2.gz ABUCDABBHBGDEP-ZDUSSCGKSA-N 0 0 376.199 3.053 10 30 GGEERN COc1ccc(Br)c(CC(=O)NCCOc2ccc(C#N)cc2)c1 ZINC000158798163 565182467 /nfs/dbraw/zinc/18/24/67/565182467.db2.gz BPYUXOGUZKOVJW-UHFFFAOYSA-N 0 0 389.249 3.067 10 30 GGEERN CC(C)c1n[nH]c(C(=O)N[C@H](C#N)c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000269360793 565186816 /nfs/dbraw/zinc/18/68/16/565186816.db2.gz JIVJDRFSXZKCEA-LLVKDONJSA-N 0 0 392.213 3.198 10 30 GGEERN O=C(CCOCC(F)(F)C(F)F)NCCc1cccc(C(F)(F)F)n1 ZINC000293858842 565188570 /nfs/dbraw/zinc/18/85/70/565188570.db2.gz VTPBPAWWVQKBGI-UHFFFAOYSA-N 0 0 376.272 3.066 10 30 GGEERN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[S@](=O)C(CC)(CC)C1 ZINC000185239647 565189347 /nfs/dbraw/zinc/18/93/47/565189347.db2.gz 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ZINC000371642139 565202959 /nfs/dbraw/zinc/20/29/59/565202959.db2.gz LRCBJMGZTYKTQA-YJBOKZPZSA-N 0 0 376.865 3.268 10 30 GGEERN N#C[C@@H](NC(=O)[C@H]1CSCN1C(=O)C1CCCC1)c1ccc(Cl)cc1 ZINC000159352886 565202971 /nfs/dbraw/zinc/20/29/71/565202971.db2.gz AJYIVSSUPYXXJN-HZPDHXFCSA-N 0 0 377.897 3.113 10 30 GGEERN C=CCOc1c(Br)cc(CN2C[C@H](C(N)=O)CC[C@@H]2C)cc1OC ZINC000159603834 565212720 /nfs/dbraw/zinc/21/27/20/565212720.db2.gz MQPNLXUHIFYQAD-GXTWGEPZSA-N 0 0 397.313 3.108 10 30 GGEERN C=CC[C@@H](CO)NC(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C ZINC000185790704 565221137 /nfs/dbraw/zinc/22/11/37/565221137.db2.gz REIDJUBMJDWSMV-ZDUSSCGKSA-N 0 0 382.291 3.392 10 30 GGEERN C=CC[C@H](CO)NC(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1 ZINC000185849213 565225467 /nfs/dbraw/zinc/22/54/67/565225467.db2.gz CNBVSBUULXHDDK-OAHLLOKOSA-N 0 0 393.281 3.398 10 30 GGEERN C=CC[C@H](CO)NC(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC000185885051 565225826 /nfs/dbraw/zinc/22/58/26/565225826.db2.gz LVVBEKKNPITIDL-SNVBAGLBSA-N 0 0 387.324 3.230 10 30 GGEERN N#Cc1cccc(S(=O)(=O)CCN2CCO[C@@H](c3ccc(Cl)s3)C2)c1 ZINC000372208121 565226229 /nfs/dbraw/zinc/22/62/29/565226229.db2.gz BEUHRTLJSSUTQV-OAHLLOKOSA-N 0 0 396.921 3.120 10 30 GGEERN C=CC[C@@H](CO)NC(=O)c1cccnc1Oc1cccc(Br)c1 ZINC000185886194 565226665 /nfs/dbraw/zinc/22/66/65/565226665.db2.gz FJCKTXVLGBAXBO-ZDUSSCGKSA-N 0 0 377.238 3.303 10 30 GGEERN Cc1ccccc1-c1nc(Cn2c(C)c(Br)cc(C#N)c2=O)no1 ZINC000185925614 565228203 /nfs/dbraw/zinc/22/82/03/565228203.db2.gz UHBKGFULQMQGSD-UHFFFAOYSA-N 0 0 385.221 3.198 10 30 GGEERN CCOc1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1Br ZINC000372383278 565235023 /nfs/dbraw/zinc/23/50/23/565235023.db2.gz BKIJZFSHKFPENF-CQSZACIVSA-N 0 0 393.285 3.052 10 30 GGEERN N#Cc1cc(Br)ccc1C(=O)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000295152602 565248303 /nfs/dbraw/zinc/24/83/03/565248303.db2.gz NRGOBFJUEYHYHU-TVQRCGJNSA-N 0 0 391.187 3.096 10 30 GGEERN COc1ccc([C@H](C)NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1OC ZINC000186312130 565254877 /nfs/dbraw/zinc/25/48/77/565254877.db2.gz WNZNPULZWPDRNA-NSHDSACASA-N 0 0 380.853 3.268 10 30 GGEERN N#C[C@H]1CN(C(=O)Nc2cccc(Cl)c2Br)CCN1C1CC1 ZINC000372814910 565255338 /nfs/dbraw/zinc/25/53/38/565255338.db2.gz OTMWPTKNRMMDGP-NSHDSACASA-N 0 0 383.677 3.307 10 30 GGEERN C#CC[C@]1(C(=O)NCc2cnc(Cl)s2)CCCN1C(=O)OC(C)(C)C ZINC000295361031 565260954 /nfs/dbraw/zinc/26/09/54/565260954.db2.gz NSSHPUIVLUPOKF-QGZVFWFLSA-N 0 0 383.901 3.206 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)c2ccnc(Cl)c2I)C1 ZINC000295469069 565268155 /nfs/dbraw/zinc/26/81/55/565268155.db2.gz CDBRGHOGUWJBKW-IUCAKERBSA-N 0 0 389.624 3.152 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)C2(c3cccc(Br)c3)CC(=O)C2)C1 ZINC000295490362 565269458 /nfs/dbraw/zinc/26/94/58/565269458.db2.gz FCPUMMOQQBTLIJ-WFASDCNBSA-N 0 0 375.266 3.248 10 30 GGEERN COc1ccc(CNc2ncc(Br)cc2C#N)c(OC)c1OC ZINC000295581166 565274486 /nfs/dbraw/zinc/27/44/86/565274486.db2.gz SAEIHGNFIPFGMA-UHFFFAOYSA-N 0 0 378.226 3.354 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000295610960 565276816 /nfs/dbraw/zinc/27/68/16/565276816.db2.gz ULGJDJBOSBVHOV-IHRRRGAJSA-N 0 0 390.281 3.001 10 30 GGEERN N#Cc1cc(Br)cnc1NCc1ccncc1OC[C@@H]1CCOC1 ZINC000295702574 565282635 /nfs/dbraw/zinc/28/26/35/565282635.db2.gz QFCXXZYIBPNCFN-GFCCVEGCSA-N 0 0 389.253 3.138 10 30 GGEERN CC1(C#N)CCN(C(=O)c2cc(F)c(F)cc2I)CC1 ZINC000272495901 565289079 /nfs/dbraw/zinc/28/90/79/565289079.db2.gz FVMPXZCUAOPHGR-UHFFFAOYSA-N 0 0 390.171 3.335 10 30 GGEERN Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)N[C@H](C#N)C1CC1 ZINC000161679544 565290272 /nfs/dbraw/zinc/29/02/72/565290272.db2.gz UVGHSSJRHVRHSB-MRXNPFEDSA-N 0 0 387.281 3.343 10 30 GGEERN COc1cc(Br)c(CNC(=O)N2CCC(C)(C#N)CC2)cc1OC ZINC000272578904 565290568 /nfs/dbraw/zinc/29/05/68/565290568.db2.gz PLSMBCTZQRVNQT-UHFFFAOYSA-N 0 0 396.285 3.302 10 30 GGEERN COc1c(Br)cccc1CN1CCN(c2ncccc2C#N)CC1 ZINC000186861390 565291646 /nfs/dbraw/zinc/29/16/46/565291646.db2.gz SVTVWYJFAGXJQS-UHFFFAOYSA-N 0 0 387.281 3.047 10 30 GGEERN CC1(C#N)CCN(C(=O)c2cc(I)c(F)cc2F)CC1 ZINC000272585898 565292184 /nfs/dbraw/zinc/29/21/84/565292184.db2.gz ZEHWUOZMAFEBNO-UHFFFAOYSA-N 0 0 390.171 3.335 10 30 GGEERN CC1(C#N)CCN(C(=O)C(=O)Nc2cccc(C3SCCS3)c2)CC1 ZINC000272684216 565293946 /nfs/dbraw/zinc/29/39/46/565293946.db2.gz MOEXORMBERIBLX-UHFFFAOYSA-N 0 0 375.519 3.256 10 30 GGEERN CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(Cl)cc2Br)CC1 ZINC000272678623 565294466 /nfs/dbraw/zinc/29/44/66/565294466.db2.gz LOAVMJPTKRPXRP-UHFFFAOYSA-N 0 0 384.661 3.193 10 30 GGEERN Cc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCC(C)(C#N)CC1 ZINC000272739793 565297294 /nfs/dbraw/zinc/29/72/94/565297294.db2.gz WCNPIQPZFUJKPJ-UHFFFAOYSA-N 0 0 378.270 3.157 10 30 GGEERN CC1(C#N)CCN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1 ZINC000272995637 565304742 /nfs/dbraw/zinc/30/47/42/565304742.db2.gz NQZWVYUDSWACMA-OAHLLOKOSA-N 0 0 377.897 3.007 10 30 GGEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000162188812 565308325 /nfs/dbraw/zinc/30/83/25/565308325.db2.gz RWHIGQJODAJAMQ-LRDDRELGSA-N 0 0 384.233 3.469 10 30 GGEERN COc1cc(CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)cc(Br)c1OC ZINC000296268871 565309582 /nfs/dbraw/zinc/30/95/82/565309582.db2.gz HLOOAUMYBJNUDG-AAEUAGOBSA-N 0 0 396.285 3.348 10 30 GGEERN C[C@@H]1CN(Cc2cc(C#N)ccc2Br)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000373972405 565314020 /nfs/dbraw/zinc/31/40/20/565314020.db2.gz NAZIEHGMVCVBIZ-LBTNJELSSA-N 0 0 379.298 3.479 10 30 GGEERN N#CCC1(CNC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000374012866 565316053 /nfs/dbraw/zinc/31/60/53/565316053.db2.gz GIJWVHDMDNHXDZ-OAHLLOKOSA-N 0 0 378.270 3.226 10 30 GGEERN Cc1cc(Br)cc(C)c1NC(=O)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000296412474 565316251 /nfs/dbraw/zinc/31/62/51/565316251.db2.gz DRDJJAOBMMXDBU-JSGCOSHPSA-N 0 0 378.270 3.203 10 30 GGEERN CCCC[C@H](ON=C(C)C)C(=O)NCc1nc2cc(Br)cnc2[nH]1 ZINC000273388390 565319060 /nfs/dbraw/zinc/31/90/60/565319060.db2.gz HNSHBYXBRNGEJQ-ZDUSSCGKSA-N 0 0 396.289 3.308 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(C3SCCS3)c2)C1 ZINC000296545553 565323144 /nfs/dbraw/zinc/32/31/44/565323144.db2.gz OUNSQTIPTRDMLN-WFASDCNBSA-N 0 0 375.519 3.302 10 30 GGEERN CC1(C#N)CCN(C(=O)c2ncc(Br)cc2Br)CC1 ZINC000273573762 565326057 /nfs/dbraw/zinc/32/60/57/565326057.db2.gz JSJOCXHNKBPMCW-UHFFFAOYSA-N 0 0 387.075 3.372 10 30 GGEERN COc1ccc(CN2C(=O)N[C@](C)(c3ccc(Cl)s3)C2=O)cc1C#N ZINC000162990102 565333619 /nfs/dbraw/zinc/33/36/19/565333619.db2.gz BYFCIIICSWAJSP-QGZVFWFLSA-N 0 0 375.837 3.249 10 30 GGEERN C=CCOc1c(Br)cc(CN2CCO[C@]3(CCOC3)C2)cc1OC ZINC000187536764 565339495 /nfs/dbraw/zinc/33/94/95/565339495.db2.gz RGURPTSKOYFVBY-GOSISDBHSA-N 0 0 398.297 3.014 10 30 GGEERN N#Cc1cc(S(=O)(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)ccc1Cl ZINC000163361878 565343895 /nfs/dbraw/zinc/34/38/95/565343895.db2.gz IKHHINJBPOTKEL-MAUKXSAKSA-N 0 0 376.865 3.410 10 30 GGEERN N#CCCN(CCC#N)C(=O)CN1CCC[C@@H]1c1ccc(Br)s1 ZINC000374615267 565347544 /nfs/dbraw/zinc/34/75/44/565347544.db2.gz XOSZOJBPRBMQSR-CYBMUJFWSA-N 0 0 395.326 3.303 10 30 GGEERN Cc1ccc(C2CCN(S(=O)(=O)c3cccc(Cl)c3C#N)CC2)cn1 ZINC000374665830 565349207 /nfs/dbraw/zinc/34/92/07/565349207.db2.gz WDHCAIAWKYSZRX-UHFFFAOYSA-N 0 0 375.881 3.483 10 30 GGEERN CC[C@H](NC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F)[C@H](O)C(F)F ZINC000297032993 565351809 /nfs/dbraw/zinc/35/18/09/565351809.db2.gz WVOWCHYBHOHQDY-INTQDDNPSA-N 0 0 376.272 3.272 10 30 GGEERN CC[C@H](NC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F)[C@H](O)C(F)F ZINC000297033003 565351973 /nfs/dbraw/zinc/35/19/73/565351973.db2.gz WVOWCHYBHOHQDY-LSJOCFKGSA-N 0 0 376.272 3.272 10 30 GGEERN N#Cc1cc(Br)cnc1NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000297633341 565380039 /nfs/dbraw/zinc/38/00/39/565380039.db2.gz XFOCAFDIPKNABL-CQSZACIVSA-N 0 0 385.265 3.176 10 30 GGEERN CS(=O)(=O)c1cc(COC(=O)[C@@H](F)C(F)(F)F)cc(C(F)(F)F)c1 ZINC000297695754 565382156 /nfs/dbraw/zinc/38/21/56/565382156.db2.gz HXYDBEHUDXGJEO-SECBINFHSA-N 0 0 382.253 3.053 10 30 GGEERN CCN(C[C@@H]1CCN(c2ncc(Br)cc2C#N)C1)CC(F)(F)F ZINC000297672220 565382242 /nfs/dbraw/zinc/38/22/42/565382242.db2.gz ZXEJLZBZEDWHPQ-NSHDSACASA-N 0 0 391.235 3.426 10 30 GGEERN N#Cc1ccsc1N1CC[C@H](Sc2nnc(C(F)(F)F)s2)C1=O ZINC000188210422 565387838 /nfs/dbraw/zinc/38/78/38/565387838.db2.gz QMUDQLPXRGXFOR-ZETCQYMHSA-N 0 0 376.410 3.388 10 30 GGEERN C[C@@H](NC(=O)CC(C)(C)C)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000275125931 565394264 /nfs/dbraw/zinc/39/42/64/565394264.db2.gz JUEMUOCANIGHHN-RISCZKNCSA-N 0 0 380.286 3.071 10 30 GGEERN C[C@](O)(CNC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1)C(F)(F)F ZINC000275175937 565395292 /nfs/dbraw/zinc/39/52/92/565395292.db2.gz XVLYBTIQQYMWGP-JQWIXIFHSA-N 0 0 376.272 3.432 10 30 GGEERN C#CCCNC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000375569116 565395757 /nfs/dbraw/zinc/39/57/57/565395757.db2.gz GLDJDMRLBWQAQX-CQSZACIVSA-N 0 0 389.253 3.369 10 30 GGEERN CN(C[C@H](O)c1ccccc1Br)C(=O)NCC1CCC(C#N)CC1 ZINC000298051766 565397374 /nfs/dbraw/zinc/39/73/74/565397374.db2.gz SPHNCNQODGNRFT-KVULBXGLSA-N 0 0 394.313 3.454 10 30 GGEERN COC[C@@H](Cc1ccccc1)N(C)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000188371266 565397589 /nfs/dbraw/zinc/39/75/89/565397589.db2.gz JSZJELFXYQJGFK-MRXNPFEDSA-N 0 0 378.881 3.090 10 30 GGEERN CN1CCC2(CCN(c3c(C#N)cnc4c(Br)cccc43)CC2)C1=O ZINC000375623792 565397891 /nfs/dbraw/zinc/39/78/91/565397891.db2.gz IJECJCBLXMFVMW-UHFFFAOYSA-N 0 0 399.292 3.318 10 30 GGEERN N#Cc1ccc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c(F)c1 ZINC000170940597 565399244 /nfs/dbraw/zinc/39/92/44/565399244.db2.gz XAAGTJXBWZFXBW-UHFFFAOYSA-N 0 0 376.306 3.334 10 30 GGEERN N#Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2Br)c(F)c1 ZINC000170940638 565399362 /nfs/dbraw/zinc/39/93/62/565399362.db2.gz CBLBDMJOSQVDDO-UHFFFAOYSA-N 0 0 387.205 3.077 10 30 GGEERN N#Cc1ccc(OC2CCN(C(=O)c3nc(Br)cs3)CC2)cc1 ZINC000275422247 565409529 /nfs/dbraw/zinc/40/95/29/565409529.db2.gz CCPRDMWSAUECDI-UHFFFAOYSA-N 0 0 392.278 3.461 10 30 GGEERN N#CCc1cccc(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)c1 ZINC000171222532 565419004 /nfs/dbraw/zinc/41/90/04/565419004.db2.gz BSQGWBPOXZSKQP-UHFFFAOYSA-N 0 0 396.248 3.230 10 30 GGEERN C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000275651914 565421997 /nfs/dbraw/zinc/42/19/97/565421997.db2.gz GQUOZAQTCGPVLD-MRVPVSSYSA-N 0 0 392.175 3.024 10 30 GGEERN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1snc(C)c1C#N ZINC000298824538 565431117 /nfs/dbraw/zinc/43/11/17/565431117.db2.gz YWWLDHNTLKJFBM-UHFFFAOYSA-N 0 0 378.435 3.222 10 30 GGEERN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCO[C@H](c2nccs2)C1 ZINC000171665757 565443046 /nfs/dbraw/zinc/44/30/46/565443046.db2.gz XFEHWIYSKQXMNN-NHYWBVRUSA-N 0 0 376.869 3.069 10 30 GGEERN COc1cc(Br)ccc1CNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000189246353 565453664 /nfs/dbraw/zinc/45/36/64/565453664.db2.gz YQLXKGDDTUJIEC-GFCCVEGCSA-N 0 0 389.249 3.413 10 30 GGEERN C=CCSCCNC(=O)N1CCC(c2nc(C(=O)OCC)cs2)CC1 ZINC000277118195 565476906 /nfs/dbraw/zinc/47/69/06/565476906.db2.gz YJCXFIQBRQKBNN-UHFFFAOYSA-N 0 0 383.539 3.128 10 30 GGEERN N#Cc1ccc(CN2CCN(c3cc(C4CC4)[nH]n3)CC2)c(Br)c1 ZINC000189697105 565483762 /nfs/dbraw/zinc/48/37/62/565483762.db2.gz BWEJECBURVCDLC-UHFFFAOYSA-N 0 0 386.297 3.243 10 30 GGEERN N#Cc1ccccc1S(=O)(=O)N1CCc2cccc(Br)c2C1 ZINC000172416511 565485198 /nfs/dbraw/zinc/48/51/98/565485198.db2.gz KTXWWAVVLYNKNJ-UHFFFAOYSA-N 0 0 377.263 3.068 10 30 GGEERN O[C@H]1C[C@@H](c2cc(F)ccc2F)N(CCOCC(F)(F)C(F)(F)F)C1 ZINC000189743030 565485669 /nfs/dbraw/zinc/48/56/69/565485669.db2.gz VWZBLZJLPZKVEV-GWCFXTLKSA-N 0 0 375.284 3.287 10 30 GGEERN CCO[C@@H]1C[C@](NCc2ccc(C#N)cc2Br)(C(=O)OC)C1(C)C ZINC000189856776 565491956 /nfs/dbraw/zinc/49/19/56/565491956.db2.gz KOTGXDOTTXEKRI-QAPCUYQASA-N 0 0 395.297 3.157 10 30 GGEERN CC[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)Oc1ccccc1Cl ZINC000301554576 565494467 /nfs/dbraw/zinc/49/44/67/565494467.db2.gz RXBXYZXEYUUXOU-ZDUSSCGKSA-N 0 0 379.869 3.129 10 30 GGEERN Cc1cc(C#N)ccc1S(=O)(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000172673565 565497579 /nfs/dbraw/zinc/49/75/79/565497579.db2.gz CBQDUUZGXQUYQX-KRWDZBQOSA-N 0 0 376.865 3.282 10 30 GGEERN N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000277455219 565498093 /nfs/dbraw/zinc/49/80/93/565498093.db2.gz HAYLWVPRYQCJIM-VIFPVBQESA-N 0 0 397.216 3.284 10 30 GGEERN CCN(CC)S(=O)(=O)c1ccc(Sc2cc(C)nc(C)c2C#N)nc1 ZINC000301779724 565509060 /nfs/dbraw/zinc/50/90/60/565509060.db2.gz MQGOZAGGZQOVEH-UHFFFAOYSA-N 0 0 376.507 3.147 10 30 GGEERN C=CCOCCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl ZINC000301762438 565509117 /nfs/dbraw/zinc/50/91/17/565509117.db2.gz RJTAKULPYKGDSL-UHFFFAOYSA-N 0 0 389.098 3.237 10 30 GGEERN N#Cc1ccc(N2CCCN(C(=O)c3ccncc3)CC2)c(Br)c1 ZINC000301870896 565515617 /nfs/dbraw/zinc/51/56/17/565515617.db2.gz KDGAQWCSXIHSGE-UHFFFAOYSA-N 0 0 385.265 3.068 10 30 GGEERN Cc1c(Br)cccc1CC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000190267002 565519601 /nfs/dbraw/zinc/51/96/01/565519601.db2.gz XWIPDYDNNASUMU-UHFFFAOYSA-N 0 0 396.248 3.391 10 30 GGEERN N#Cc1ccc(N2CCC[C@@H]2c2ccc(I)cc2)nn1 ZINC000301965638 565522255 /nfs/dbraw/zinc/52/22/55/565522255.db2.gz KHBBYPVIKMZLLW-CQSZACIVSA-N 0 0 376.201 3.294 10 30 GGEERN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H](c2ccccc2)O1 ZINC000173065002 565524878 /nfs/dbraw/zinc/52/48/78/565524878.db2.gz LDSWTPDXUMQRAQ-SUMWQHHRSA-N 0 0 376.865 3.362 10 30 GGEERN COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190402718 565528991 /nfs/dbraw/zinc/52/89/91/565528991.db2.gz MRNLLUWMHUOQBN-CQSZACIVSA-N 0 0 376.400 3.166 10 30 GGEERN Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1ccc(C#N)cc1Br ZINC000378487955 565530131 /nfs/dbraw/zinc/53/01/31/565530131.db2.gz LRZQEUVVGKSZBJ-KRWDZBQOSA-N 0 0 389.297 3.245 10 30 GGEERN Cc1nc([C@H]2CCCCCN2S(=O)(=O)c2ccc(C#N)c(Cl)c2)no1 ZINC000378552420 565534071 /nfs/dbraw/zinc/53/40/71/565534071.db2.gz RZDVAQNBFIOHQY-OAHLLOKOSA-N 0 0 380.857 3.209 10 30 GGEERN C=CCNC(=O)c1ccc(NCc2ccc(Br)cc2OC)nc1 ZINC000302560710 565546662 /nfs/dbraw/zinc/54/66/62/565546662.db2.gz ZYOVQUOYFXOIOW-UHFFFAOYSA-N 0 0 376.254 3.381 10 30 GGEERN COc1ccc(-c2nc(Sc3cnc(C#N)cn3)n[nH]2)cc1Br ZINC000302624894 565547062 /nfs/dbraw/zinc/54/70/62/565547062.db2.gz AQPPKYKTCFLHNU-UHFFFAOYSA-N 0 0 389.238 3.056 10 30 GGEERN Cc1ccc(N2CCN(Cc3ccc(Br)s3)CC2)nc1C#N ZINC000302736590 565552736 /nfs/dbraw/zinc/55/27/36/565552736.db2.gz ZTBAUEHZZCOSAA-UHFFFAOYSA-N 0 0 377.311 3.408 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1Cl ZINC000392617360 565565544 /nfs/dbraw/zinc/56/55/44/565565544.db2.gz CYQCHOSJOCPMDR-UHFFFAOYSA-N 0 0 396.299 3.376 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCc1cn2cc(Br)cc(C)c2n1 ZINC000278662901 565570799 /nfs/dbraw/zinc/57/07/99/565570799.db2.gz BXTXQSCUUFRTFI-HZPDHXFCSA-N 0 0 392.297 3.045 10 30 GGEERN C=CCCCNS(=O)(=O)c1cc(Br)ccc1Br ZINC000303991604 565576193 /nfs/dbraw/zinc/57/61/93/565576193.db2.gz YEKARGLGMBDCJF-UHFFFAOYSA-N 0 0 383.105 3.456 10 30 GGEERN CS(=O)(=O)N(CCSCc1ccc(C#N)c(F)c1)Cc1ccccc1 ZINC000191030478 565578119 /nfs/dbraw/zinc/57/81/19/565578119.db2.gz MPKNRSPPCXUOQZ-UHFFFAOYSA-N 0 0 378.494 3.392 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)c2nnc(NC3CCCCC3)s2)cc1F ZINC000191045481 565579689 /nfs/dbraw/zinc/57/96/89/565579689.db2.gz TZYGXBDYKRAYKN-UHFFFAOYSA-N 0 0 380.470 3.267 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1F ZINC000191053521 565579946 /nfs/dbraw/zinc/57/99/46/565579946.db2.gz CBZGDUOQXCMURV-UHFFFAOYSA-N 0 0 399.197 3.342 10 30 GGEERN CCO[C@H](C)c1nc(CN(C)S(=O)(=O)c2ccc(F)c(C#N)c2)cs1 ZINC000173746112 565581978 /nfs/dbraw/zinc/58/19/78/565581978.db2.gz WGMJVEYNNFDYGH-LLVKDONJSA-N 0 0 383.470 3.072 10 30 GGEERN CN(Cc1ccc(Br)o1)C(=O)NCCOc1ccc(C#N)cc1 ZINC000173797781 565587043 /nfs/dbraw/zinc/58/70/43/565587043.db2.gz PGDSQUUIVNUOFB-UHFFFAOYSA-N 0 0 378.226 3.134 10 30 GGEERN N#Cc1ccc(Br)c(CN2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000408046504 565591760 /nfs/dbraw/zinc/59/17/60/565591760.db2.gz WXAAAMLKGBSOEG-NXHRZFHOSA-N 0 0 379.298 3.073 10 30 GGEERN CN(Cc1cccc(Br)c1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000316854826 565592803 /nfs/dbraw/zinc/59/28/03/565592803.db2.gz MYLWNPXUSGQOQG-UHFFFAOYSA-N 0 0 383.242 3.281 10 30 GGEERN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2CCC(C)(C)O2)nc1C ZINC000279090978 565594159 /nfs/dbraw/zinc/59/41/59/565594159.db2.gz TUUAVLZRXRMRQE-JTQLQIEISA-N 0 0 379.511 3.081 10 30 GGEERN Cc1nc([C@H]2CCCCCN2S(=O)(=O)c2ccc(Cl)c(C#N)c2)no1 ZINC000408153911 565596373 /nfs/dbraw/zinc/59/63/73/565596373.db2.gz MBCFAMORQDTETH-OAHLLOKOSA-N 0 0 380.857 3.209 10 30 GGEERN C[C@H](Oc1ccccc1Br)C(=O)NCCOc1ccc(C#N)cc1 ZINC000173898902 565596835 /nfs/dbraw/zinc/59/68/35/565596835.db2.gz NYYUFSRKBBERHA-ZDUSSCGKSA-N 0 0 389.249 3.283 10 30 GGEERN Cc1ncc(S(=O)(=O)N[C@@H](C)c2ccc(Br)cc2)cc1C#N ZINC000319416919 565599551 /nfs/dbraw/zinc/59/95/51/565599551.db2.gz DGQPFEKEHKVHIC-NSHDSACASA-N 0 0 380.267 3.064 10 30 GGEERN Cc1cc(NS(=O)(=O)c2cnc(C)c(C#N)c2)c(F)cc1Br ZINC000320055121 565600455 /nfs/dbraw/zinc/60/04/55/565600455.db2.gz ZJOCEBGUDKJOBM-UHFFFAOYSA-N 0 0 384.230 3.273 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCC[C@H](C(F)(F)F)C2)cc1Br ZINC000408240581 565600983 /nfs/dbraw/zinc/60/09/83/565600983.db2.gz OGWNYLTTXSXXDK-JTQLQIEISA-N 0 0 397.216 3.284 10 30 GGEERN Cn1cnnc1C1CCN(c2c(Br)cc(Cl)cc2C#N)CC1 ZINC000408379889 565606222 /nfs/dbraw/zinc/60/62/22/565606222.db2.gz QKFQIBJISNKPSO-UHFFFAOYSA-N 0 0 380.677 3.487 10 30 GGEERN CC1(C)CCCN(C(=O)c2cnc3ccc(Br)cc3c2O)[C@H]1C#N ZINC000408440504 565609737 /nfs/dbraw/zinc/60/97/37/565609737.db2.gz CNDDPDKALYRMNV-HNNXBMFYSA-N 0 0 388.265 3.445 10 30 GGEERN CCOC(=O)c1csc(C2CCN(C(=O)c3cc(C#N)cs3)CC2)n1 ZINC000191556316 565612352 /nfs/dbraw/zinc/61/23/52/565612352.db2.gz DOJYMZNBAZIATK-UHFFFAOYSA-N 0 0 375.475 3.273 10 30 GGEERN C=CCCCNC(=O)C(=O)Nc1cc(Br)ccc1N1CCCC1 ZINC000279683329 565627146 /nfs/dbraw/zinc/62/71/46/565627146.db2.gz ANNIICAZVVAWQD-UHFFFAOYSA-N 0 0 380.286 3.070 10 30 GGEERN COCCn1cc(CNc2c(C#N)cnc3c(Br)cccc32)cn1 ZINC000409649666 565630047 /nfs/dbraw/zinc/63/00/47/565630047.db2.gz DLMFFZXRDHOXNW-UHFFFAOYSA-N 0 0 386.253 3.324 10 30 GGEERN CS(=O)(=O)c1ccc(CNc2ccc(C(F)(F)F)c(C#N)n2)cc1Cl ZINC000409649114 565630298 /nfs/dbraw/zinc/63/02/98/565630298.db2.gz BKNVZLMCRILDEQ-UHFFFAOYSA-N 0 0 389.786 3.063 10 30 GGEERN N#Cc1ccc(Br)c(CN2CCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000191780714 565631970 /nfs/dbraw/zinc/63/19/70/565631970.db2.gz VEEMAJOEGNWDLW-GOSISDBHSA-N 0 0 384.277 3.384 10 30 GGEERN N#Cc1ccc(Br)c(CN2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000191780699 565631982 /nfs/dbraw/zinc/63/19/82/565631982.db2.gz VEEMAJOEGNWDLW-SFHVURJKSA-N 0 0 384.277 3.384 10 30 GGEERN N#Cc1ccc(Br)c(CN2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000191800830 565633180 /nfs/dbraw/zinc/63/31/80/565633180.db2.gz CPRQMIOHFAMKOR-QGZVFWFLSA-N 0 0 378.314 3.007 10 30 GGEERN N#Cc1ccc(Br)c(CN2CCN(c3cc(C4CC4)[nH]n3)CC2)c1 ZINC000191840620 565636710 /nfs/dbraw/zinc/63/67/10/565636710.db2.gz KKKZRJFBSMWVID-UHFFFAOYSA-N 0 0 386.297 3.243 10 30 GGEERN CC(C)(CNC(=O)c1ccc(Cl)c2ncccc12)N1CCS(=O)CC1 ZINC000328665437 565636793 /nfs/dbraw/zinc/63/67/93/565636793.db2.gz CELHCOXWGOQKFI-UHFFFAOYSA-N 0 0 379.913 3.036 10 30 GGEERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000328652688 565636833 /nfs/dbraw/zinc/63/68/33/565636833.db2.gz BWJPLACIUWPODX-CRAIPNDOSA-N 0 0 382.913 3.310 10 30 GGEERN CCC(=O)N1CSC[C@H]1C(=O)Nc1cc(N2CCCC2=O)ccc1Cl ZINC000328887955 565645842 /nfs/dbraw/zinc/64/58/42/565645842.db2.gz PUQZRVXMTDSHLV-AWEZNQCLSA-N 0 0 381.885 3.366 10 30 GGEERN CN(C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCSC1 ZINC000328879792 565646325 /nfs/dbraw/zinc/64/63/25/565646325.db2.gz VKGAZKADXAHRPU-DJSGYFEHSA-N 0 0 385.892 3.102 10 30 GGEERN O=C(c1ccc(Br)cc1)N1CCN(CC#Cc2ccccc2)CC1 ZINC000191981820 565647783 /nfs/dbraw/zinc/64/77/83/565647783.db2.gz UEJODWLSTCSTNV-UHFFFAOYSA-N 0 0 383.289 3.259 10 30 GGEERN C[C@@H](C(=O)NCCSCc1ccc(Cl)cc1Cl)n1cnc(C#N)n1 ZINC000409903932 565648012 /nfs/dbraw/zinc/64/80/12/565648012.db2.gz RCRQSBDFABVNRA-JTQLQIEISA-N 0 0 384.292 3.067 10 30 GGEERN C[C@@H](C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1)n1cnc(C#N)n1 ZINC000409909127 565649005 /nfs/dbraw/zinc/64/90/05/565649005.db2.gz IEQJXOZCWYIPNF-NSHDSACASA-N 0 0 378.263 3.256 10 30 GGEERN N#Cc1ccc(CNC(=O)Cc2ccc(I)cc2)c(F)c1 ZINC000192040147 565652161 /nfs/dbraw/zinc/65/21/61/565652161.db2.gz XVUDDFGGMWMNHU-UHFFFAOYSA-N 0 0 394.187 3.161 10 30 GGEERN C[C@H](NC(=O)[C@@H]1CCCN1c1nccs1)c1ncc(Br)cn1 ZINC000329102725 565654749 /nfs/dbraw/zinc/65/47/49/565654749.db2.gz FRUDLIDTAOGUOI-ONGXEEELSA-N 0 0 382.287 3.382 10 30 GGEERN Cc1cc(Br)cc2cc(C(=O)N[C@H]3COC[C@H]3n3ccnn3)oc21 ZINC000329131700 565655453 /nfs/dbraw/zinc/65/54/53/565655453.db2.gz OXZWHNHJHRGHSP-QWHCGFSZSA-N 0 0 391.225 3.040 10 30 GGEERN C[C@H](C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1)n1cnc(C#N)n1 ZINC000410005722 565656906 /nfs/dbraw/zinc/65/69/06/565656906.db2.gz UDQWQUAWGAWICX-LLVKDONJSA-N 0 0 378.263 3.256 10 30 GGEERN Cc1cc([C@H]2CCCN2C(=O)[C@H](C)n2cnc(C#N)n2)ccc1Br ZINC000410018391 565658367 /nfs/dbraw/zinc/65/83/67/565658367.db2.gz WQGQPJNFGWEHFP-SWLSCSKDSA-N 0 0 388.269 3.145 10 30 GGEERN O=C(N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000329216992 565659533 /nfs/dbraw/zinc/65/95/33/565659533.db2.gz PKHFBBYQCAJPFN-BHPKHCPMSA-N 0 0 383.432 3.048 10 30 GGEERN O=C(N[C@@H]1CCOc2ccc(Br)cc21)N1CCc2cncnc2C1 ZINC000329264853 565660833 /nfs/dbraw/zinc/66/08/33/565660833.db2.gz DZBCKVMSRWEERG-CQSZACIVSA-N 0 0 389.253 3.035 10 30 GGEERN C[C@H](NC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1)c1cccc(Br)c1 ZINC000329296279 565661730 /nfs/dbraw/zinc/66/17/30/565661730.db2.gz STOYYVZBOMGRKK-MAZHCROVSA-N 0 0 383.286 3.304 10 30 GGEERN C=CC[C@H](CO)NC(=O)c1cccnc1Oc1ccc(F)cc1Br ZINC000410068010 565662091 /nfs/dbraw/zinc/66/20/91/565662091.db2.gz YWWRPSOHRZEYJO-GFCCVEGCSA-N 0 0 395.228 3.442 10 30 GGEERN O=C(CCN1CCCS1(=O)=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000329302664 565662401 /nfs/dbraw/zinc/66/24/01/565662401.db2.gz WYMLOANSOLPJLM-ZDUSSCGKSA-N 0 0 377.293 3.363 10 30 GGEERN C=CCN1CC[C@H](N(C)C(=O)C[C@@H](C)c2ccc(Br)cc2)C1=O ZINC000410112535 565665030 /nfs/dbraw/zinc/66/50/30/565665030.db2.gz FHPBKRDIQAFZJO-CJNGLKHVSA-N 0 0 379.298 3.188 10 30 GGEERN C=CCN1CC[C@@H](N(C)C(=O)C[C@H](C)c2ccc(Br)cc2)C1=O ZINC000410112537 565665328 /nfs/dbraw/zinc/66/53/28/565665328.db2.gz FHPBKRDIQAFZJO-XJKSGUPXSA-N 0 0 379.298 3.188 10 30 GGEERN C=CC[C@@H](CC)NC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000410127900 565665753 /nfs/dbraw/zinc/66/57/53/565665753.db2.gz OSFSVERAXUVICU-TZMCWYRMSA-N 0 0 388.327 3.330 10 30 GGEERN Cc1cccc(NC(=O)C(=O)N2CCc3cccc(Br)c3C2)c1C#N ZINC000174916141 565667029 /nfs/dbraw/zinc/66/70/29/565667029.db2.gz NSZKDDFBAYFZCL-UHFFFAOYSA-N 0 0 398.260 3.153 10 30 GGEERN C[C@H](c1ncc(Br)cn1)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000329488185 565668080 /nfs/dbraw/zinc/66/80/80/565668080.db2.gz RTINEPWZNIUHLR-FMTVUPSXSA-N 0 0 398.264 3.295 10 30 GGEERN CC(C)CC[C@@](C)(O)CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000410158894 565668633 /nfs/dbraw/zinc/66/86/33/565668633.db2.gz KKEOPNHYMAWVEN-OAHLLOKOSA-N 0 0 378.416 3.043 10 30 GGEERN C=CCN1CC[C@H](N(C)C(=O)c2coc3c2cc(Br)cc3C)C1=O ZINC000410178821 565669259 /nfs/dbraw/zinc/66/92/59/565669259.db2.gz OOYASPXCGHIECC-HNNXBMFYSA-N 0 0 391.265 3.363 10 30 GGEERN CCCn1ccnc1CCCN(C)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000192244068 565674319 /nfs/dbraw/zinc/67/43/19/565674319.db2.gz PKQZTAKJSCVJBS-UHFFFAOYSA-N 0 0 380.901 3.071 10 30 GGEERN N#Cc1ccccc1OCC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000410268146 565674613 /nfs/dbraw/zinc/67/46/13/565674613.db2.gz TYYOHVZABGACJK-OAHLLOKOSA-N 0 0 387.233 3.340 10 30 GGEERN CCOC(=O)c1csc(C2CCN(C(=O)c3sccc3C#N)CC2)n1 ZINC000192263428 565675513 /nfs/dbraw/zinc/67/55/13/565675513.db2.gz RXZSIPAWOBVPRS-UHFFFAOYSA-N 0 0 375.475 3.273 10 30 GGEERN N#Cc1ccc(OCC(=O)N[C@@H]2CCOc3c(Br)cccc32)cc1 ZINC000410297343 565675606 /nfs/dbraw/zinc/67/56/06/565675606.db2.gz AAYBFZLJVOCMKA-MRXNPFEDSA-N 0 0 387.233 3.340 10 30 GGEERN C=CCCc1ccccc1NC(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000410347298 565678117 /nfs/dbraw/zinc/67/81/17/565678117.db2.gz AOUUZBUFBMDYAK-UHFFFAOYSA-N 0 0 378.519 3.211 10 30 GGEERN C=CCN1CC[C@@H](N2CCC[C@@H]2c2ccccc2I)C1=O ZINC000410370548 565679304 /nfs/dbraw/zinc/67/93/04/565679304.db2.gz HRXLXMDVXBLOSS-HZPDHXFCSA-N 0 0 396.272 3.215 10 30 GGEERN Cc1nc(C2CCCC2)sc1C(=O)NCC(C)(C)N1CCS(=O)CC1 ZINC000329788942 565680458 /nfs/dbraw/zinc/68/04/58/565680458.db2.gz BRAXTVPROLACMQ-UHFFFAOYSA-N 0 0 383.583 3.257 10 30 GGEERN N#Cc1cc(C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)ccn1 ZINC000280658317 565687182 /nfs/dbraw/zinc/68/71/82/565687182.db2.gz BWADCKDHJRCUNV-INIZCTEOSA-N 0 0 385.265 3.432 10 30 GGEERN N#CCN1CCC[C@H](CNC(=O)c2cc(F)c(Br)cc2Cl)C1 ZINC000280670470 565687918 /nfs/dbraw/zinc/68/79/18/565687918.db2.gz HOGOZQYTKUEBKR-SNVBAGLBSA-N 0 0 388.668 3.207 10 30 GGEERN CC(C)N(C(=O)COc1cccc(Br)c1C#N)C1CCOCC1 ZINC000410508294 565687889 /nfs/dbraw/zinc/68/78/89/565687889.db2.gz KFISFOOUHZKGHU-UHFFFAOYSA-N 0 0 381.270 3.116 10 30 GGEERN COc1cc(NC(=O)N2CCO[C@@H](C3CC3)C2)cc(OC)c1Br ZINC000330137918 565694482 /nfs/dbraw/zinc/69/44/82/565694482.db2.gz ODBXJVYMYITSOB-CQSZACIVSA-N 0 0 385.258 3.123 10 30 GGEERN CCn1cc(Br)c(=O)c(NC(=O)c2snnc2C(C)(C)C)c1 ZINC000330208389 565696768 /nfs/dbraw/zinc/69/67/68/565696768.db2.gz GRLFTIMSRXRWSV-UHFFFAOYSA-N 0 0 385.287 3.416 10 30 GGEERN N#C[C@@H](NC(=O)[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(Br)cc1 ZINC000280799569 565696735 /nfs/dbraw/zinc/69/67/35/565696735.db2.gz LRTNRDIOGQOABN-DGCLKSJQSA-N 0 0 390.203 3.014 10 30 GGEERN COCCOC1CCC(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000280832121 565698966 /nfs/dbraw/zinc/69/89/66/565698966.db2.gz JTZBDTDXMBHHAG-PREGVCBESA-N 0 0 395.297 3.352 10 30 GGEERN COCCOC1CCC(C(=O)N[C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000280832109 565699088 /nfs/dbraw/zinc/69/90/88/565699088.db2.gz JTZBDTDXMBHHAG-BDVYOWHSSA-N 0 0 395.297 3.352 10 30 GGEERN O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000330272271 565699443 /nfs/dbraw/zinc/69/94/43/565699443.db2.gz XJOMCHYJWZBACB-RKVPGOIHSA-N 0 0 384.567 3.089 10 30 GGEERN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000175425605 565699593 /nfs/dbraw/zinc/69/95/93/565699593.db2.gz PZKKIBNHLOQUHL-MCFWBGNESA-N 0 0 396.921 3.331 10 30 GGEERN CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000410967692 565702403 /nfs/dbraw/zinc/70/24/03/565702403.db2.gz DDXRFPLRSWRUFI-YGRLFVJLSA-N 0 0 396.310 3.207 10 30 GGEERN CSc1ccc(Cl)c(C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)c1 ZINC000330394531 565704469 /nfs/dbraw/zinc/70/44/69/565704469.db2.gz JBWQURDWJYVPOP-IINYFYTJSA-N 0 0 376.931 3.084 10 30 GGEERN Cc1cc(C(=O)NCCN2C(=O)CCCC2=O)cc(Cl)c1Br ZINC000330463196 565707898 /nfs/dbraw/zinc/70/78/98/565707898.db2.gz CFUUODMGXOIBFG-UHFFFAOYSA-N 0 0 387.661 3.255 10 30 GGEERN C[C@@H](C(=O)N1CCCc2c(Cl)ccc(Br)c21)n1cnc(C#N)n1 ZINC000411107068 565712473 /nfs/dbraw/zinc/71/24/73/565712473.db2.gz DRFIUCHSRBMGKQ-VIFPVBQESA-N 0 0 394.660 3.106 10 30 GGEERN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NC[C@H]1CCCCO1 ZINC000330592885 565713207 /nfs/dbraw/zinc/71/32/07/565713207.db2.gz YUMWGYTUGWZDCK-LLVKDONJSA-N 0 0 390.299 3.035 10 30 GGEERN CC(C)(C)[C@@H]1CCN(C(=O)CNC(=O)c2cccc(Br)c2)C[C@@H]1O ZINC000330745084 565721147 /nfs/dbraw/zinc/72/11/47/565721147.db2.gz RHHMASNRQGZOSS-CABCVRRESA-N 0 0 397.313 3.009 10 30 GGEERN CS(=O)(=O)N1CCC[C@H](NC(=O)Nc2cccc(C(F)F)c2Cl)C1 ZINC000330858292 565725811 /nfs/dbraw/zinc/72/58/11/565725811.db2.gz QQLIXFXVYRRSSG-VIFPVBQESA-N 0 0 381.832 3.028 10 30 GGEERN CC(C)(O)C(C)(C)NC(=O)c1ncc(Br)cc1Br ZINC000330867520 565726352 /nfs/dbraw/zinc/72/63/52/565726352.db2.gz OSDBXLJNVQLUPK-UHFFFAOYSA-N 0 0 380.080 3.461 10 30 GGEERN N#Cc1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)cc1Cl ZINC000193032955 565726937 /nfs/dbraw/zinc/72/69/37/565726937.db2.gz PUJQXYNZUDFNAE-OAHLLOKOSA-N 0 0 375.837 3.252 10 30 GGEERN N#Cc1ccc(NC(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)cc1Cl ZINC000193032971 565727104 /nfs/dbraw/zinc/72/71/04/565727104.db2.gz PUJQXYNZUDFNAE-HNNXBMFYSA-N 0 0 375.837 3.252 10 30 GGEERN C[C@H]1CN(c2c(C#N)cnc3c(Br)cccc32)C[C@@]2(CCOC2)O1 ZINC000281379379 565727381 /nfs/dbraw/zinc/72/73/81/565727381.db2.gz ACYABSIDRJUMBW-KPZWWZAWSA-N 0 0 388.265 3.253 10 30 GGEERN CCn1cc(Br)c(=O)c(NC(=O)c2cn(C)nc2C(C)(C)C)c1 ZINC000330873171 565727711 /nfs/dbraw/zinc/72/77/11/565727711.db2.gz VDBXUZJZULXSLS-UHFFFAOYSA-N 0 0 381.274 3.298 10 30 GGEERN CC(C)Sc1ccc(Cl)cc1NC(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000330904660 565728546 /nfs/dbraw/zinc/72/85/46/565728546.db2.gz YYXAYBGRCGEQJE-LBPRGKRZSA-N 0 0 391.946 3.139 10 30 GGEERN CC(C)Sc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000330904659 565728960 /nfs/dbraw/zinc/72/89/60/565728960.db2.gz YYXAYBGRCGEQJE-GFCCVEGCSA-N 0 0 391.946 3.139 10 30 GGEERN Cc1ccc(I)c(C(=O)NCC2CCN(CC#N)CC2)c1 ZINC000330925613 565730122 /nfs/dbraw/zinc/73/01/22/565730122.db2.gz HJMRRLKTTMZANX-UHFFFAOYSA-N 0 0 397.260 3.140 10 30 GGEERN C[C@H]1CN(C(=O)Nc2ccc(C(F)(F)F)cc2Br)C[C@@H](CO)O1 ZINC000330991747 565733514 /nfs/dbraw/zinc/73/35/14/565733514.db2.gz SJWAEZPFGFVODQ-WPRPVWTQSA-N 0 0 397.191 3.095 10 30 GGEERN N#Cc1cc(C(=O)Nc2ccnn2Cc2cccc(Br)c2)ccn1 ZINC000193102145 565733711 /nfs/dbraw/zinc/73/37/11/565733711.db2.gz NFIZWTBOVPJEKL-UHFFFAOYSA-N 0 0 382.221 3.213 10 30 GGEERN COc1ccc(NC(=O)N2CC[C@@](O)(C(F)(F)F)C2)c(Br)c1 ZINC000331043787 565736514 /nfs/dbraw/zinc/73/65/14/565736514.db2.gz GDSZSXABFABOEC-LBPRGKRZSA-N 0 0 383.164 3.002 10 30 GGEERN C=CC[C@@H](CO)NC(=O)c1c(CC)onc1-c1ccc(Br)cc1 ZINC000281551827 565736340 /nfs/dbraw/zinc/73/63/40/565736340.db2.gz KIOIIPKCBJNCMV-ZDUSSCGKSA-N 0 0 379.254 3.333 10 30 GGEERN Cc1nc2n(n1)C[C@H](Nc1c(C#N)cnc3c(Br)cccc31)CC2 ZINC000281609334 565738569 /nfs/dbraw/zinc/73/85/69/565738569.db2.gz IXUOLPUMDMAOKJ-GFCCVEGCSA-N 0 0 383.253 3.196 10 30 GGEERN CC(=O)N1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)[C@H](C)C1 ZINC000331109435 565738709 /nfs/dbraw/zinc/73/87/09/565738709.db2.gz ICZOVHBJDVDGSM-QMTHXVAHSA-N 0 0 377.794 3.410 10 30 GGEERN C[C@H]1OCC[C@@]12CN(c1c(C#N)cnc3c(Br)cccc31)CCO2 ZINC000281594691 565738625 /nfs/dbraw/zinc/73/86/25/565738625.db2.gz HKSDLIGQONAOOG-KZULUSFZSA-N 0 0 388.265 3.253 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1NC[C@@H](O)C1CCOCC1 ZINC000281598360 565739094 /nfs/dbraw/zinc/73/90/94/565739094.db2.gz HTWZPUXWZVJZJN-OAHLLOKOSA-N 0 0 376.254 3.068 10 30 GGEERN CC(C)(CNC(=O)Nc1cc(Cl)c(F)c(Cl)c1)N1CCS(=O)CC1 ZINC000331133899 565741102 /nfs/dbraw/zinc/74/11/02/565741102.db2.gz CDYJPKZTAIPZBO-UHFFFAOYSA-N 0 0 396.315 3.301 10 30 GGEERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Nc1ccc(Br)cc1F ZINC000331138253 565741199 /nfs/dbraw/zinc/74/11/99/565741199.db2.gz JJFYWFXMHJPHSX-AWEZNQCLSA-N 0 0 386.265 3.467 10 30 GGEERN CC(C)(CC#N)CNC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411650157 565741915 /nfs/dbraw/zinc/74/19/15/565741915.db2.gz QQXWQTOHVNRTOT-GFCCVEGCSA-N 0 0 375.778 3.116 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1N1CCOC2(CCOCC2)C1 ZINC000281686275 565742779 /nfs/dbraw/zinc/74/27/79/565742779.db2.gz RHQBLXUVUWDNBP-UHFFFAOYSA-N 0 0 388.265 3.255 10 30 GGEERN C[C@H]1CC(C)(C)C[C@@](CO)(NC(=O)Nc2nnc(CC(F)(F)F)s2)C1 ZINC000331161882 565743766 /nfs/dbraw/zinc/74/37/66/565743766.db2.gz KZJUVFHSHODADY-XPTSAGLGSA-N 0 0 380.436 3.355 10 30 GGEERN CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000331192864 565746191 /nfs/dbraw/zinc/74/61/91/565746191.db2.gz XNOLDLQLGKLLMP-VZJVUDMVSA-N 0 0 380.794 3.329 10 30 GGEERN C[C@@H](c1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000331220048 565747848 /nfs/dbraw/zinc/74/78/48/565747848.db2.gz BGACKESBXVVOGF-ZDUSSCGKSA-N 0 0 395.937 3.341 10 30 GGEERN CN1C[C@@H](NC(=O)Nc2cc(Br)cc(C(F)(F)F)c2)CCC1=O ZINC000331238782 565748140 /nfs/dbraw/zinc/74/81/40/565748140.db2.gz ILYCUQKHZZQXSK-JTQLQIEISA-N 0 0 394.191 3.415 10 30 GGEERN Cc1cc(Br)cc(NC(=O)C(=O)NCC2CCC(C#N)CC2)c1 ZINC000281859444 565752366 /nfs/dbraw/zinc/75/23/66/565752366.db2.gz GPFZZLUIWGHSKO-UHFFFAOYSA-N 0 0 378.270 3.142 10 30 GGEERN CN1CC[C@H](NS(=O)(=O)CC(C)(C)CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000331339866 565755645 /nfs/dbraw/zinc/75/56/45/565755645.db2.gz RXYCLFLISWJTMJ-JKSUJKDBSA-N 0 0 387.908 3.084 10 30 GGEERN N#Cc1cc(C(=O)Nc2nccn2Cc2ccc(Br)cc2)ccn1 ZINC000193496748 565756493 /nfs/dbraw/zinc/75/64/93/565756493.db2.gz BUHPQBRYKUIMLN-UHFFFAOYSA-N 0 0 382.221 3.213 10 30 GGEERN Cc1cc(C)c(NC(=O)C(=O)NCC2CCC(C#N)CC2)c(Br)c1 ZINC000281980029 565758697 /nfs/dbraw/zinc/75/86/97/565758697.db2.gz MJPNMTSSWJWCLN-UHFFFAOYSA-N 0 0 392.297 3.451 10 30 GGEERN N#CC1CCC(CNC(=O)C(=O)Nc2ccc(Cl)cc2Br)CC1 ZINC000282011707 565760985 /nfs/dbraw/zinc/76/09/85/565760985.db2.gz NXOZKUWQPQHNDS-UHFFFAOYSA-N 0 0 398.688 3.487 10 30 GGEERN N#CC1CCC(CNC(=O)C(=O)Nc2cccc(Cl)c2Br)CC1 ZINC000282026390 565762182 /nfs/dbraw/zinc/76/21/82/565762182.db2.gz OROAKBXMDHNCHN-UHFFFAOYSA-N 0 0 398.688 3.487 10 30 GGEERN CC(C)n1cc(C#N)c(NC(=O)[C@H]2Cc3cc(Br)ccc3O2)n1 ZINC000193578322 565762508 /nfs/dbraw/zinc/76/25/08/565762508.db2.gz XULMKXSGAKCWMH-CQSZACIVSA-N 0 0 375.226 3.040 10 30 GGEERN N#CC1CCC(CNC(=O)N[C@H](CO)c2ccc(Br)cc2)CC1 ZINC000282228778 565770808 /nfs/dbraw/zinc/77/08/08/565770808.db2.gz NHZCVCNSWMEYNO-SEEARECTSA-N 0 0 380.286 3.112 10 30 GGEERN COc1cc(C#N)ccc1OCCCC(=O)N1CCC=C(Br)C1 ZINC000282257782 565771787 /nfs/dbraw/zinc/77/17/87/565771787.db2.gz OWRUWDKYHALWNL-UHFFFAOYSA-N 0 0 379.254 3.237 10 30 GGEERN O=C(CSCCOCC(F)(F)C(F)F)N1CCC[C@H](C(F)(F)F)C1 ZINC000193732369 565773041 /nfs/dbraw/zinc/77/30/41/565773041.db2.gz LCXSZFMYJHWGBK-VIFPVBQESA-N 0 0 385.345 3.438 10 30 GGEERN C=CCn1c([C@H]2COCCO2)nnc1N(C)Cc1ccc(Br)s1 ZINC000282411040 565777820 /nfs/dbraw/zinc/77/78/20/565777820.db2.gz XGFIVFBGMBWURS-GFCCVEGCSA-N 0 0 399.314 3.012 10 30 GGEERN CN([C@@](C)(C#N)C1CC1)S(=O)(=O)c1c(Cl)cccc1Br ZINC000282406913 565777847 /nfs/dbraw/zinc/77/78/47/565777847.db2.gz ZQHDZBLSZFQMHY-ZDUSSCGKSA-N 0 0 377.691 3.415 10 30 GGEERN N#CC1CCC(CNC(=O)CCN2C(=S)N=NC2c2cccs2)CC1 ZINC000282637700 565789014 /nfs/dbraw/zinc/78/90/14/565789014.db2.gz SRSZPIVMCVAKQV-UHFFFAOYSA-N 0 0 375.523 3.132 10 30 GGEERN COc1ccc(C(=O)NCC2CCC(C#N)CC2)c(I)c1 ZINC000282717532 565793968 /nfs/dbraw/zinc/79/39/68/565793968.db2.gz NPAGKGDOTYJKBO-UHFFFAOYSA-N 0 0 398.244 3.360 10 30 GGEERN N#Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)cc2)ccc1Cl ZINC000194138331 565796921 /nfs/dbraw/zinc/79/69/21/565796921.db2.gz GIDDOTDYENEVGE-UHFFFAOYSA-N 0 0 375.837 3.361 10 30 GGEERN N#Cc1cc(CN2CCN(c3ccc(Br)cn3)CC2)ccc1F ZINC000176811020 565804641 /nfs/dbraw/zinc/80/46/41/565804641.db2.gz HMGUXMMXUBQOTQ-UHFFFAOYSA-N 0 0 375.245 3.177 10 30 GGEERN COC(=O)C[C@H](NC(=O)c1cc(C#N)cs1)c1cccc(Br)c1 ZINC000176981838 565820242 /nfs/dbraw/zinc/82/02/42/565820242.db2.gz JTDJBUGBYUEKIQ-ZDUSSCGKSA-N 0 0 393.262 3.416 10 30 GGEERN CCN([C@@H](C)c1cccnc1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000283585833 565822872 /nfs/dbraw/zinc/82/28/72/565822872.db2.gz ROQUXNJRVGVCIF-LBPRGKRZSA-N 0 0 394.294 3.488 10 30 GGEERN Cn1cc(C#N)cc1C(=O)NCc1cc(Br)ccc1OC(F)F ZINC000177052062 565825085 /nfs/dbraw/zinc/82/50/85/565825085.db2.gz AKTOMEZVMUBIBK-UHFFFAOYSA-N 0 0 384.180 3.191 10 30 GGEERN N#CC1CCC(CNC(=O)C(=O)Nc2cccc(Br)c2Cl)CC1 ZINC000283678555 565825986 /nfs/dbraw/zinc/82/59/86/565825986.db2.gz RVMPQSTZXFXMHM-UHFFFAOYSA-N 0 0 398.688 3.487 10 30 GGEERN CCn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@@H](C)C#N ZINC000283871739 565833823 /nfs/dbraw/zinc/83/38/23/565833823.db2.gz HWNCAHSBYLPUPF-LBPRGKRZSA-N 0 0 378.274 3.235 10 30 GGEERN Cn1cc(C#N)cc1C(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000177344369 565844626 /nfs/dbraw/zinc/84/46/26/565844626.db2.gz ILECUOWZUFLIKE-UHFFFAOYSA-N 0 0 388.250 3.430 10 30 GGEERN C[C@H]1CN(c2ccc(C#N)cc2Br)CCN1C(=O)c1cscn1 ZINC000413318023 565845507 /nfs/dbraw/zinc/84/55/07/565845507.db2.gz BYVDCAPMRHOSMF-NSHDSACASA-N 0 0 391.294 3.128 10 30 GGEERN CC(C)(CCNc1c(C#N)cnc2c(Br)cccc21)S(C)(=O)=O ZINC000413516339 565856731 /nfs/dbraw/zinc/85/67/31/565856731.db2.gz GACWTTVYQHFCNX-UHFFFAOYSA-N 0 0 396.310 3.494 10 30 GGEERN CC(C)[C@H](NC(=O)COc1cccc(Br)c1C#N)C(F)(F)F ZINC000413990839 565884369 /nfs/dbraw/zinc/88/43/69/565884369.db2.gz UIAVAJVCQOQYCX-ZDUSSCGKSA-N 0 0 379.176 3.403 10 30 GGEERN CN(CCC#N)C(=O)c1cc(Br)cc(I)c1 ZINC000285145528 565890293 /nfs/dbraw/zinc/89/02/93/565890293.db2.gz POUPRDDHULDYGG-UHFFFAOYSA-N 0 0 393.022 3.039 10 30 GGEERN C=CCCS(=O)(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000178356950 565915177 /nfs/dbraw/zinc/91/51/77/565915177.db2.gz MLPNHPAJULHZEL-CQSZACIVSA-N 0 0 391.274 3.334 10 30 GGEERN Cc1c(C#N)cccc1NC(=O)C(=O)N1CCc2cccc(Br)c2C1 ZINC000178483707 565921572 /nfs/dbraw/zinc/92/15/72/565921572.db2.gz QPYMTVVIVDZUCV-UHFFFAOYSA-N 0 0 398.260 3.153 10 30 GGEERN CCOCCN(c1ccc(Cl)cc1)S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000414402670 565924840 /nfs/dbraw/zinc/92/48/40/565924840.db2.gz YJDGXRBBGSPXIO-UHFFFAOYSA-N 0 0 379.869 3.147 10 30 GGEERN O=S(=O)(c1c(F)cccc1OC(F)(F)F)N1CC2CC1(C(F)(F)F)C2 ZINC000414469864 565939052 /nfs/dbraw/zinc/93/90/52/565939052.db2.gz KBKVOPAIVJUXTN-UHFFFAOYSA-N 0 0 393.280 3.440 10 30 GGEERN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C2CCC2)C1 ZINC000414536633 565946482 /nfs/dbraw/zinc/94/64/82/565946482.db2.gz ZXVCRQMOHZZAHB-OAHLLOKOSA-N 0 0 392.301 3.227 10 30 GGEERN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2C[C@H]1CS2 ZINC000414536625 565946931 /nfs/dbraw/zinc/94/69/31/565946931.db2.gz JPJQFWIAZJRYRV-RYUDHWBXSA-N 0 0 380.315 3.306 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1NCCC1(O)CCOCC1 ZINC000286225318 565948415 /nfs/dbraw/zinc/94/84/15/565948415.db2.gz DHIBEBCORCOUMY-UHFFFAOYSA-N 0 0 376.254 3.212 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1N1CCO[C@@]2(CCCOC2)C1 ZINC000286360214 565954868 /nfs/dbraw/zinc/95/48/68/565954868.db2.gz DKPUYVPPRMFSAH-SFHVURJKSA-N 0 0 388.265 3.255 10 30 GGEERN O=C(/C=C/c1cnc(N2CCOCC2)s1)c1ncc(Br)s1 ZINC000179091183 565957990 /nfs/dbraw/zinc/95/79/90/565957990.db2.gz BWPIHUHHDDCFSZ-OWOJBTEDSA-N 0 0 386.296 3.095 10 30 GGEERN N#Cc1ccc(CNC(=O)[C@@H]2COc3ccc(Br)cc32)c(F)c1 ZINC000179338217 565974189 /nfs/dbraw/zinc/97/41/89/565974189.db2.gz SKYMATZGSMXSCX-CQSZACIVSA-N 0 0 375.197 3.252 10 30 GGEERN Cc1ccc(Br)c(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 ZINC000179398358 565978824 /nfs/dbraw/zinc/97/88/24/565978824.db2.gz VCMWWWBWMYWIJD-UHFFFAOYSA-N 0 0 390.212 3.023 10 30 GGEERN Cc1ccccc1N=C1SCCN1C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000245263949 565987600 /nfs/dbraw/zinc/98/76/00/565987600.db2.gz BSTZCPZBKYLTHV-KDOFPFPSSA-N 0 0 375.519 3.012 10 30 GGEERN Cc1cc(C#N)nc(N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)n1 ZINC000287058445 565995669 /nfs/dbraw/zinc/99/56/69/565995669.db2.gz XHKNQHQGJRCRAC-OAHLLOKOSA-N 0 0 377.217 3.136 10 30 GGEERN CCNC(=O)C[C@H]1CCCCN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287058921 565995814 /nfs/dbraw/zinc/99/58/14/565995814.db2.gz APDMZDWUMFRBLR-CQSZACIVSA-N 0 0 393.285 3.233 10 30 GGEERN N#CC1CCC(CNC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000287218235 566004451 /nfs/dbraw/zinc/00/44/51/566004451.db2.gz VNWVRSYDQSMSBE-UHFFFAOYSA-N 0 0 382.913 3.340 10 30 GGEERN CO[C@@H](C)c1noc(CN(C)C(=O)Nc2ccc(C#N)c(Br)c2)n1 ZINC000287239548 566005890 /nfs/dbraw/zinc/00/58/90/566005890.db2.gz OQLFCFRVGGKPND-VIFPVBQESA-N 0 0 394.229 3.075 10 30 GGEERN COCCCCN(C(=O)c1ccnc(C#N)c1)c1ccc(Br)cn1 ZINC000415592517 566006548 /nfs/dbraw/zinc/00/65/48/566006548.db2.gz FEEAYRSJDNPAOC-UHFFFAOYSA-N 0 0 389.253 3.184 10 30 GGEERN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCO[C@@H](c2nccs2)C1 ZINC000246075170 566015904 /nfs/dbraw/zinc/01/59/04/566015904.db2.gz CMJVOEXSHFXNOV-GOEBONIOSA-N 0 0 377.535 3.181 10 30 GGEERN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H](c2ccccc2)O1 ZINC000246153903 566019130 /nfs/dbraw/zinc/01/91/30/566019130.db2.gz LDSWTPDXUMQRAQ-DYVFJYSZSA-N 0 0 376.865 3.362 10 30 GGEERN COCCCN(C(=O)c1cscc1C#N)c1ccc(Br)cn1 ZINC000416024461 566026690 /nfs/dbraw/zinc/02/66/90/566026690.db2.gz DWYVZULVEINVPM-UHFFFAOYSA-N 0 0 380.267 3.461 10 30 GGEERN COCCCN(C(=O)c1sccc1C#N)c1ccc(Br)cn1 ZINC000416035277 566028301 /nfs/dbraw/zinc/02/83/01/566028301.db2.gz QCOVHKCNGNKOHW-UHFFFAOYSA-N 0 0 380.267 3.461 10 30 GGEERN N#Cc1cccc(NC(=O)[C@@H]2CCCN2c2nccs2)c1Br ZINC000416073373 566033088 /nfs/dbraw/zinc/03/30/88/566033088.db2.gz AFWCAQUXZLTPPA-LBPRGKRZSA-N 0 0 377.267 3.385 10 30 GGEERN COC[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccc(F)c(F)c1 ZINC000180185193 566041403 /nfs/dbraw/zinc/04/14/03/566041403.db2.gz PNUQHIXWXMBHNE-INIZCTEOSA-N 0 0 386.807 3.156 10 30 GGEERN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc(C#N)ccn2)CC1 ZINC000287836188 566042781 /nfs/dbraw/zinc/04/27/81/566042781.db2.gz BSVZYGLXFGTXEZ-CQSZACIVSA-N 0 0 399.292 3.235 10 30 GGEERN COC(=O)C1CCC(C(=O)N[C@H](C#N)c2cccc(Br)c2)CC1 ZINC000180273065 566050020 /nfs/dbraw/zinc/05/00/20/566050020.db2.gz HTHUGZICXBUSRW-KOHJWAIASA-N 0 0 379.254 3.109 10 30 GGEERN C=CCCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000180329497 566054919 /nfs/dbraw/zinc/05/49/19/566054919.db2.gz IRGMXAMVHGFRMG-KRWDZBQOSA-N 0 0 384.929 3.172 10 30 GGEERN C#C[C@@H](NC(=O)[C@@H](CCSC)NC(=O)c1ccccc1Cl)C(C)(C)C ZINC000288113858 566057567 /nfs/dbraw/zinc/05/75/67/566057567.db2.gz HNBMPJAHEYJFGG-HZPDHXFCSA-N 0 0 380.941 3.356 10 30 GGEERN C#C[C@H](NC(=O)[C@H](CCSC)NC(=O)c1ccccc1Cl)C(C)(C)C ZINC000288113856 566057774 /nfs/dbraw/zinc/05/77/74/566057774.db2.gz HNBMPJAHEYJFGG-HOTGVXAUSA-N 0 0 380.941 3.356 10 30 GGEERN N#Cc1ccc(NC(=O)c2cnn3cc(Br)cnc23)cc1Cl ZINC000180385545 566060724 /nfs/dbraw/zinc/06/07/24/566060724.db2.gz XUFPXLKZXHODJO-UHFFFAOYSA-N 0 0 376.601 3.269 10 30 GGEERN N#Cc1cccnc1N1CCN(Cc2c(F)cccc2Br)CC1 ZINC000180412569 566061097 /nfs/dbraw/zinc/06/10/97/566061097.db2.gz LQEGGSVUNXDBJQ-UHFFFAOYSA-N 0 0 375.245 3.177 10 30 GGEERN N#Cc1cccnc1N1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000247695315 566065072 /nfs/dbraw/zinc/06/50/72/566065072.db2.gz ZGDAUQHEJKBGGL-UHFFFAOYSA-N 0 0 379.222 3.362 10 30 GGEERN N#Cc1cccnc1N1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000247694663 566065525 /nfs/dbraw/zinc/06/55/25/566065525.db2.gz YUWOJZOWQNBFNJ-UHFFFAOYSA-N 0 0 375.245 3.177 10 30 GGEERN N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000416436264 566068130 /nfs/dbraw/zinc/06/81/30/566068130.db2.gz BZRPQRMJBNOKBV-MRXNPFEDSA-N 0 0 392.278 3.145 10 30 GGEERN C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)c1ccc(Cl)c(OC)c1 ZINC000416486490 566074996 /nfs/dbraw/zinc/07/49/96/566074996.db2.gz IRJOOMKWLUTQTE-UHFFFAOYSA-N 0 0 385.869 3.201 10 30 GGEERN N#Cc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@H]1C(F)F ZINC000416521399 566080054 /nfs/dbraw/zinc/08/00/54/566080054.db2.gz HVFSUYVJDSKEMV-NSHDSACASA-N 0 0 379.226 3.129 10 30 GGEERN N#Cc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@@H]1C(F)F ZINC000416521398 566080316 /nfs/dbraw/zinc/08/03/16/566080316.db2.gz HVFSUYVJDSKEMV-LLVKDONJSA-N 0 0 379.226 3.129 10 30 GGEERN Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1cc(C#N)ccc1Br ZINC000365192231 566089177 /nfs/dbraw/zinc/08/91/77/566089177.db2.gz PKAXWDABBRNBBC-QGZVFWFLSA-N 0 0 389.297 3.245 10 30 GGEERN C[C@H](C(=O)OC(C)(C)C)N(C1CC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000416592249 566091781 /nfs/dbraw/zinc/09/17/81/566091781.db2.gz URMHYIYQFSOLDE-LLVKDONJSA-N 0 0 384.885 3.095 10 30 GGEERN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000180915689 566099246 /nfs/dbraw/zinc/09/92/46/566099246.db2.gz RPFWEVWLBXHJRY-LLVKDONJSA-N 0 0 397.269 3.035 10 30 GGEERN C[C@@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@@H](c2ccccc2)O1 ZINC000249371650 566100244 /nfs/dbraw/zinc/10/02/44/566100244.db2.gz WXFUIAACLMKSIZ-DYVFJYSZSA-N 0 0 376.865 3.362 10 30 GGEERN CC(C)[C@@H]1C[C@@H]1C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000249347191 566100795 /nfs/dbraw/zinc/10/07/95/566100795.db2.gz OSPWNXOBAGAZCX-OKZBNKHCSA-N 0 0 390.325 3.450 10 30 GGEERN Cc1nc(C[C@@H]2CCCN(Cc3ccc(C#N)cc3Br)C2)no1 ZINC000181080567 566112549 /nfs/dbraw/zinc/11/25/49/566112549.db2.gz HBOJVLHTIRGGMU-AWEZNQCLSA-N 0 0 375.270 3.467 10 30 GGEERN CN(Cc1ccc(C#N)cc1Br)[C@H]1CCCN(c2cccnn2)C1 ZINC000181090935 566113048 /nfs/dbraw/zinc/11/30/48/566113048.db2.gz UAXBSYKUGXHTMX-INIZCTEOSA-N 0 0 386.297 3.212 10 30 GGEERN COc1cc(OC)c(C=NN2C(=O)c3ccccc3C2=O)cc1Br ZINC000252462106 566114852 /nfs/dbraw/zinc/11/48/52/566114852.db2.gz PTMMLAHDCIFNFY-UHFFFAOYSA-N 0 0 389.205 3.096 10 30 GGEERN COC(=O)c1ccc(NN=Cc2cc(Br)cc(OC)c2O)cc1 ZINC000252627623 566116198 /nfs/dbraw/zinc/11/61/98/566116198.db2.gz RYFZGZSJDGFGNZ-UHFFFAOYSA-N 0 0 379.210 3.396 10 30 GGEERN C=CCNC(=S)NN=Cc1cc(Br)c(OCC)c(OCC)c1 ZINC000252599954 566116357 /nfs/dbraw/zinc/11/63/57/566116357.db2.gz DNLCFHBMKOZMGT-UHFFFAOYSA-N 0 0 386.315 3.231 10 30 GGEERN COCCOc1ccc(Br)cc1NC(=O)NCC1(C#N)CCC1 ZINC000416976403 566116687 /nfs/dbraw/zinc/11/66/87/566116687.db2.gz QOASHFDJWHUHBK-UHFFFAOYSA-N 0 0 382.258 3.290 10 30 GGEERN N#Cc1ccc(CN2CCOC[C@H]2C[C@@H](O)c2ccco2)c(Br)c1 ZINC000181149102 566119223 /nfs/dbraw/zinc/11/92/23/566119223.db2.gz LKJUZCXBGFGXPM-NVXWUHKLSA-N 0 0 391.265 3.238 10 30 GGEERN C=CCOc1ccc(Br)cc1NCc1csc(CC(=O)NC)n1 ZINC000417047923 566121464 /nfs/dbraw/zinc/12/14/64/566121464.db2.gz VRYGIHVPCGGPOT-UHFFFAOYSA-N 0 0 396.310 3.371 10 30 GGEERN CCCOc1ccc(Br)cc1C[S@@](=O)Cc1ncc(C#N)cn1 ZINC000417155735 566127558 /nfs/dbraw/zinc/12/75/58/566127558.db2.gz BBJACLDRZOUBBR-HSZRJFAPSA-N 0 0 394.294 3.348 10 30 GGEERN N#Cc1cc(C(=O)N2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)c[nH]1 ZINC000181373301 566137177 /nfs/dbraw/zinc/13/71/77/566137177.db2.gz QHVYWYGKYVVWCR-UHFFFAOYSA-N 0 0 377.275 3.194 10 30 GGEERN N#CCCCCS(=O)(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000181491469 566143904 /nfs/dbraw/zinc/14/39/04/566143904.db2.gz UETBNAVSWLUFMW-OAHLLOKOSA-N 0 0 376.400 3.102 10 30 GGEERN C=CCN(Cc1ccc(Cl)s1)c1nnc([C@H]2COCCO2)n1CC=C ZINC000289884899 566144882 /nfs/dbraw/zinc/14/48/82/566144882.db2.gz ZVWKMVAMQVAQTE-CQSZACIVSA-N 0 0 380.901 3.460 10 30 GGEERN C#CCC(C)(C)c1nc(Cc2nc3ccc(Br)cc3c(=O)[nH]2)no1 ZINC000289974406 566150537 /nfs/dbraw/zinc/15/05/37/566150537.db2.gz DBFOOOQEFWYFGI-UHFFFAOYSA-N 0 0 387.237 3.373 10 30 GGEERN CS(=O)(=O)CC[C@@H]1CCCCN1Cc1ccc(Br)cc1C#N ZINC000366429342 566151672 /nfs/dbraw/zinc/15/16/72/566151672.db2.gz FIQBEFTWEVIGNG-INIZCTEOSA-N 0 0 385.327 3.110 10 30 GGEERN CS(=O)(=O)CC[C@@H]1CCCCN1Cc1cc(C#N)ccc1Br ZINC000366420241 566151703 /nfs/dbraw/zinc/15/17/03/566151703.db2.gz CNHIREKROVJGFN-HNNXBMFYSA-N 0 0 385.327 3.110 10 30 GGEERN COC(=O)c1cc(Br)cc(NC(=O)NCC2(CC#N)CC2)c1C ZINC000417561641 566157694 /nfs/dbraw/zinc/15/76/94/566157694.db2.gz DVWGUXVIQCFSSF-UHFFFAOYSA-N 0 0 380.242 3.360 10 30 GGEERN CS(=O)(=O)c1ccc(-c2csc(NC(=O)c3sccc3C#N)n2)cc1 ZINC000181688124 566158074 /nfs/dbraw/zinc/15/80/74/566158074.db2.gz RKZGXUATLZBGLH-UHFFFAOYSA-N 0 0 389.483 3.399 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000366921380 566176709 /nfs/dbraw/zinc/17/67/09/566176709.db2.gz KSHDZHNNXVCSDR-HZPDHXFCSA-N 0 0 388.265 3.253 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000366921379 566176900 /nfs/dbraw/zinc/17/69/00/566176900.db2.gz KSHDZHNNXVCSDR-HOTGVXAUSA-N 0 0 388.265 3.253 10 30 GGEERN CC1(C#N)CCN(C(=O)C2(c3cccc(Br)c3)CC(=O)C2)CC1 ZINC000290558341 566177902 /nfs/dbraw/zinc/17/79/02/566177902.db2.gz WVCXZXCRWWJECP-UHFFFAOYSA-N 0 0 375.266 3.202 10 30 GGEERN N#Cc1ccc(OC(=O)[C@@H]2C[C@H]2c2cccnc2)c(I)c1 ZINC000366979801 566180041 /nfs/dbraw/zinc/18/00/41/566180041.db2.gz HGHAQVXQKVJXBM-QWHCGFSZSA-N 0 0 390.180 3.267 10 30 GGEERN C=CC[C@H](CC)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000366997832 566180285 /nfs/dbraw/zinc/18/02/85/566180285.db2.gz OEGKYRIBNLUMFQ-INIZCTEOSA-N 0 0 384.929 3.212 10 30 GGEERN COc1ccc(Br)cc1CC(=O)Nc1n[nH]c(C2CC2)c1C#N ZINC000290626412 566181507 /nfs/dbraw/zinc/18/15/07/566181507.db2.gz SLIHGJASQSOYAP-UHFFFAOYSA-N 0 0 375.226 3.111 10 30 GGEERN CCOCc1nc([C@H](C)NC(=O)Nc2ccc(C#N)c(Br)c2)no1 ZINC000290636643 566182311 /nfs/dbraw/zinc/18/23/11/566182311.db2.gz JGXAGCPMXVPGBO-VIFPVBQESA-N 0 0 394.229 3.123 10 30 GGEERN C=CCSCCNC(=O)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000290863030 566193378 /nfs/dbraw/zinc/19/33/78/566193378.db2.gz BNCDQUQJCZHYCC-LLVKDONJSA-N 0 0 378.420 3.330 10 30 GGEERN N#Cc1ccc(NC(=O)N[C@@H](c2nc[nH]n2)c2ccccc2)cc1Br ZINC000367581563 566208059 /nfs/dbraw/zinc/20/80/59/566208059.db2.gz WAGJEKDRTOHBJY-OAHLLOKOSA-N 0 0 397.236 3.350 10 30 GGEERN CCOC(=O)c1cnn(C2CCN(c3snc(Cl)c3C#N)CC2)c1C ZINC000367747338 566214761 /nfs/dbraw/zinc/21/47/61/566214761.db2.gz QTAYXRCHQUELBV-UHFFFAOYSA-N 0 0 379.873 3.191 10 30 GGEERN C[C@H](C#N)CNC(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC000182788464 566223868 /nfs/dbraw/zinc/22/38/68/566223868.db2.gz UKNKUPHLKBOQQT-RISCZKNCSA-N 0 0 383.233 3.297 10 30 GGEERN N#CCN1CCN(C(=O)[C@H]2CCCO[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000182782869 566224328 /nfs/dbraw/zinc/22/43/28/566224328.db2.gz UFZLVQQOOYORBN-DOTOQJQBSA-N 0 0 382.291 3.129 10 30 GGEERN C[C@H](C#N)CNC(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000182788424 566224456 /nfs/dbraw/zinc/22/44/56/566224456.db2.gz UKNKUPHLKBOQQT-BXUZGUMPSA-N 0 0 383.233 3.297 10 30 GGEERN CC(C)CCN(Cc1ncc(C#N)cn1)S(=O)(=O)c1cccc(Cl)c1 ZINC000418803247 566225086 /nfs/dbraw/zinc/22/50/86/566225086.db2.gz ZFNDGVWGJOURNQ-UHFFFAOYSA-N 0 0 378.885 3.239 10 30 GGEERN CCN(CC)C(=O)CCCC(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000264887928 566226702 /nfs/dbraw/zinc/22/67/02/566226702.db2.gz LLJHLTQBAGVWGL-HNNXBMFYSA-N 0 0 380.286 3.169 10 30 GGEERN C[C@H](OC[C@@H]1CCCCO1)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000264879210 566227134 /nfs/dbraw/zinc/22/71/34/566227134.db2.gz JRZSDNGQSPFVMO-RCBQFDQVSA-N 0 0 381.270 3.104 10 30 GGEERN CC(C)(C)OC(=O)NCCC(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000264923139 566227408 /nfs/dbraw/zinc/22/74/08/566227408.db2.gz VMJPQOKRUBXYIK-ZDUSSCGKSA-N 0 0 382.258 3.045 10 30 GGEERN CCCC(=O)N1CCC[C@H](C(=O)N[C@@H](C#N)c2ccc(Br)cc2)C1 ZINC000264921459 566227499 /nfs/dbraw/zinc/22/74/99/566227499.db2.gz UXJATGHVTYAFTK-HOCLYGCPSA-N 0 0 392.297 3.169 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)cc1 ZINC000182873435 566227930 /nfs/dbraw/zinc/22/79/30/566227930.db2.gz XPNVVJXAKPOVJX-CQSZACIVSA-N 0 0 376.306 3.418 10 30 GGEERN C#CCCNC(=O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC000265004701 566230011 /nfs/dbraw/zinc/23/00/11/566230011.db2.gz VZBUKEVWJZKGOZ-UHFFFAOYSA-N 0 0 375.519 3.039 10 30 GGEERN N#Cc1ccsc1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000182955659 566232128 /nfs/dbraw/zinc/23/21/28/566232128.db2.gz WASGTJXUADWBFJ-CYBMUJFWSA-N 0 0 380.256 3.462 10 30 GGEERN C[C@@H](NC(=O)CSCc1ncc(C#N)cn1)c1ccc(Br)cc1 ZINC000419624825 566240386 /nfs/dbraw/zinc/24/03/86/566240386.db2.gz GXMPCMZBUYSGLE-LLVKDONJSA-N 0 0 391.294 3.221 10 30 GGEERN N#Cc1cnc(CSCC(=O)NCCc2cccc(Cl)c2Cl)nc1 ZINC000419631340 566240425 /nfs/dbraw/zinc/24/04/25/566240425.db2.gz NJPQHBHHIGHNPL-UHFFFAOYSA-N 0 0 381.288 3.247 10 30 GGEERN COc1cc(OC)cc(N2CC[C@H](SCc3nc(C#N)cs3)C2=O)c1 ZINC000419657755 566240735 /nfs/dbraw/zinc/24/07/35/566240735.db2.gz YMRPMOPDTWEVCK-HNNXBMFYSA-N 0 0 375.475 3.071 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CC[C@@H](Oc3cccc(F)c3)C2)ccc1Cl ZINC000183241262 566241622 /nfs/dbraw/zinc/24/16/22/566241622.db2.gz ZOYMUXRLLVMOJC-OAHLLOKOSA-N 0 0 380.828 3.193 10 30 GGEERN C=CC[C@@H](CO)NC(=O)Nc1c(C)c(C)nn1-c1ccc(Br)cc1 ZINC000183413423 566246221 /nfs/dbraw/zinc/24/62/21/566246221.db2.gz NSLPGBTVYYTOKP-AWEZNQCLSA-N 0 0 393.285 3.310 10 30 GGEERN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000183412108 566246386 /nfs/dbraw/zinc/24/63/86/566246386.db2.gz AUGURDQCSRTMMB-NSHDSACASA-N 0 0 378.837 3.022 10 30 GGEERN COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000183426025 566246684 /nfs/dbraw/zinc/24/66/84/566246684.db2.gz PGYRNPUCXRQCEM-LLVKDONJSA-N 0 0 380.853 3.268 10 30 GGEERN COC(=O)c1sccc1CN1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444765125 566251715 /nfs/dbraw/zinc/25/17/15/566251715.db2.gz IPIPESHOFSATNO-UHFFFAOYSA-N 0 0 375.881 3.382 10 30 GGEERN N#Cc1cscc1C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000555842634 566253898 /nfs/dbraw/zinc/25/38/98/566253898.db2.gz KXVDTBWANOHETF-ZDUSSCGKSA-N 0 0 376.279 3.391 10 30 GGEERN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C2CC2)C1 ZINC000575141198 566255094 /nfs/dbraw/zinc/25/50/94/566255094.db2.gz NOWGNFKTEROQDR-HNNXBMFYSA-N 0 0 392.301 3.227 10 30 GGEERN C=CC[C@H](C)NC(=O)Nc1cc(I)cc(C(=O)OC)c1 ZINC000534811744 566255812 /nfs/dbraw/zinc/25/58/12/566255812.db2.gz AKNOEWGXPAUBNQ-VIFPVBQESA-N 0 0 388.205 3.164 10 30 GGEERN CN1C(=O)N([C@H]2CC[C@@H](CC#N)C2)C(=O)[C@H]1c1cccc(Br)c1 ZINC000420000928 566257275 /nfs/dbraw/zinc/25/72/75/566257275.db2.gz USAMAMSKTXVGAC-TUKIKUTGSA-N 0 0 376.254 3.467 10 30 GGEERN N#CC1(C[C@@H](O)CN2CCc3c(Br)ccc(F)c3C2)CCOCC1 ZINC000599365225 566257526 /nfs/dbraw/zinc/25/75/26/566257526.db2.gz VQPUHZGCTCUNBL-CYBMUJFWSA-N 0 0 397.288 3.018 10 30 GGEERN N#CC1(C[C@@H](O)CN2CCC[C@@H]2c2ccc(Br)cn2)CCOCC1 ZINC000599402809 566262666 /nfs/dbraw/zinc/26/26/66/566262666.db2.gz GWAQXIYQJWBDFN-NVXWUHKLSA-N 0 0 394.313 3.052 10 30 GGEERN COc1cc(Br)ccc1[C@H]1CCCN1S(=O)(=O)CC1(C#N)CC1 ZINC000599409865 566262812 /nfs/dbraw/zinc/26/28/12/566262812.db2.gz WNPADUCQSPSIFB-CQSZACIVSA-N 0 0 399.310 3.228 10 30 GGEERN C=C(CC)CN1C(=O)N[C@@H](Cc2c[nH]c3cccc(Br)c23)C1=O ZINC000420058369 566263298 /nfs/dbraw/zinc/26/32/98/566263298.db2.gz IMUNMXAKLYKJMS-AWEZNQCLSA-N 0 0 376.254 3.360 10 30 GGEERN CCSc1ccc(CN2CCN(C(=O)CC#N)CC2)c(Br)c1 ZINC000599433254 566265344 /nfs/dbraw/zinc/26/53/44/566265344.db2.gz DNGGAAFPTNAURZ-UHFFFAOYSA-N 0 0 382.327 3.119 10 30 GGEERN CN(C)C[C@H](NS(=O)(=O)CCCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000599464729 566265745 /nfs/dbraw/zinc/26/57/45/566265745.db2.gz RMWKBADINNTTHT-HNNXBMFYSA-N 0 0 378.325 3.209 10 30 GGEERN N#CC1(C[C@H](O)CN2CC[C@H]2c2ccc(Br)cc2)CCOCC1 ZINC000599480780 566267518 /nfs/dbraw/zinc/26/75/18/566267518.db2.gz FUYWEMNYWBWCES-IRXDYDNUSA-N 0 0 379.298 3.267 10 30 GGEERN CN(C[C@H](O)CC1(C#N)CCOCC1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000599470699 566267586 /nfs/dbraw/zinc/26/75/86/566267586.db2.gz TUFWUEGYVQVQSH-CZUORRHYSA-N 0 0 387.307 3.030 10 30 GGEERN N#CC1(C[C@@H](O)CN2CC[C@@H]2c2ccc(Br)cc2)CCOCC1 ZINC000599480779 566268193 /nfs/dbraw/zinc/26/81/93/566268193.db2.gz FUYWEMNYWBWCES-IAGOWNOFSA-N 0 0 379.298 3.267 10 30 GGEERN COc1cc(NC(=O)[C@H](C)Oc2ccccc2C#N)ncc1Br ZINC000534999938 566270682 /nfs/dbraw/zinc/27/06/82/566270682.db2.gz XTLUQVXDYVXFBM-JTQLQIEISA-N 0 0 376.210 3.130 10 30 GGEERN COc1ccc(S(=O)(=O)N2CCc3c(CC#N)cccc3C2)cc1Cl ZINC000599513373 566272050 /nfs/dbraw/zinc/27/20/50/566272050.db2.gz MUNRVTLETASSOL-UHFFFAOYSA-N 0 0 376.865 3.162 10 30 GGEERN N#CCc1cccc2c1CCN(S(=O)(=O)Cc1c(F)cccc1Cl)C2 ZINC000599516132 566272700 /nfs/dbraw/zinc/27/27/00/566272700.db2.gz NZHNLKKTLPVQML-UHFFFAOYSA-N 0 0 378.856 3.433 10 30 GGEERN O=C(NCC[C@@H](O)C(F)(F)F)c1c(F)c(F)c(Br)c(F)c1F ZINC000668904507 566272846 /nfs/dbraw/zinc/27/28/46/566272846.db2.gz OZIASFONZSRZCK-GSVOUGTGSA-N 0 0 398.072 3.049 10 30 GGEERN N#Cc1cc(Br)cc(S(=O)(=O)N2CC(c3ccccc3F)C2)c1 ZINC000462294676 566276975 /nfs/dbraw/zinc/27/69/75/566276975.db2.gz ICBPHGNSVDGRSK-UHFFFAOYSA-N 0 0 395.253 3.248 10 30 GGEERN CN1C(=O)C[C@H](NC(=O)c2cc(C#N)cs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535100293 566278301 /nfs/dbraw/zinc/27/83/01/566278301.db2.gz MHTFWNQAZNVZIF-BBRMVZONSA-N 0 0 377.828 3.114 10 30 GGEERN CN1C(=O)C[C@@H](NC(=O)c2cc(C#N)cs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535100303 566278309 /nfs/dbraw/zinc/27/83/09/566278309.db2.gz MHTFWNQAZNVZIF-CZUORRHYSA-N 0 0 377.828 3.114 10 30 GGEERN CN1C(=O)C[C@H](NC(=O)c2sccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535101002 566278316 /nfs/dbraw/zinc/27/83/16/566278316.db2.gz PKXKIKCREOIXPU-DZGCQCFKSA-N 0 0 377.828 3.114 10 30 GGEERN CN1C(=O)C[C@H](NC(=O)c2cc(C#N)cs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535100305 566278501 /nfs/dbraw/zinc/27/85/01/566278501.db2.gz MHTFWNQAZNVZIF-XJKSGUPXSA-N 0 0 377.828 3.114 10 30 GGEERN N#Cc1ccc(CC(=O)N2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000482045540 566279164 /nfs/dbraw/zinc/27/91/64/566279164.db2.gz JWQMYFREXYGUNK-UHFFFAOYSA-N 0 0 398.304 3.208 10 30 GGEERN N#Cc1ccc(C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)s1 ZINC000482063704 566279441 /nfs/dbraw/zinc/27/94/41/566279441.db2.gz VDEALNULKBFRKL-UHFFFAOYSA-N 0 0 390.306 3.340 10 30 GGEERN C=CCn1c(-c2cccc(Br)c2)nnc1N1CCC2(COC2)C1 ZINC000669063096 566280638 /nfs/dbraw/zinc/28/06/38/566280638.db2.gz ZULVMFTUOMKDDN-UHFFFAOYSA-N 0 0 375.270 3.120 10 30 GGEERN C=CCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H]2COC[C@]2(C)C1 ZINC000669062262 566280767 /nfs/dbraw/zinc/28/07/67/566280767.db2.gz BVTBIAQVQXCJKW-KDOFPFPSSA-N 0 0 389.297 3.366 10 30 GGEERN C=CCn1c(-c2cn(C)nn2)nnc1N(C)Cc1ccc(Cl)cc1Cl ZINC000669040129 566281015 /nfs/dbraw/zinc/28/10/15/566281015.db2.gz XKZHVRIAFANRJL-UHFFFAOYSA-N 0 0 378.267 3.203 10 30 GGEERN C=CCn1c(-c2cnn(C)c2)nnc1N1Cc2ccc(C)c(Br)c2C1 ZINC000669056784 566281435 /nfs/dbraw/zinc/28/14/35/566281435.db2.gz DBYANNSGTMZIRM-UHFFFAOYSA-N 0 0 399.296 3.456 10 30 GGEERN C=CCn1c(-c2cn(C)nn2)nnc1N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000669039048 566281754 /nfs/dbraw/zinc/28/17/54/566281754.db2.gz DNDYOBGCUONALE-UHFFFAOYSA-N 0 0 378.267 3.203 10 30 GGEERN C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000599651971 566281753 /nfs/dbraw/zinc/28/17/53/566281753.db2.gz JTKTWODDHVWDIR-DZGCQCFKSA-N 0 0 376.298 3.189 10 30 GGEERN C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000599651378 566282259 /nfs/dbraw/zinc/28/22/59/566282259.db2.gz GNBZYSQUJYPEAY-FRIZHTMISA-N 0 0 390.325 3.435 10 30 GGEERN C=CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C)O[C@@H](C)C1 ZINC000669066191 566282669 /nfs/dbraw/zinc/28/26/69/566282669.db2.gz QMSQBPIRJJJUAE-OLZOCXBDSA-N 0 0 394.317 3.236 10 30 GGEERN C=CCn1c(-c2ccccc2Br)nnc1N1C[C@@H]2COC[C@]2(C)C1 ZINC000669072292 566282787 /nfs/dbraw/zinc/28/27/87/566282787.db2.gz BPCPIINMHQOWKS-ACJLOTCBSA-N 0 0 389.297 3.366 10 30 GGEERN C=CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H]2COC[C@H]2C1 ZINC000669067210 566282855 /nfs/dbraw/zinc/28/28/55/566282855.db2.gz YXMJROZZQJQVRE-VXGBXAGGSA-N 0 0 395.326 3.428 10 30 GGEERN C=CCn1c(-c2ccccc2Br)nnc1N1CCC2(COC2)C1 ZINC000669072736 566283013 /nfs/dbraw/zinc/28/30/13/566283013.db2.gz GTIFCBTXHNVMPT-UHFFFAOYSA-N 0 0 375.270 3.120 10 30 GGEERN C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(=O)N(C)CC1 ZINC000669064863 566283073 /nfs/dbraw/zinc/28/30/73/566283073.db2.gz MKKAGLWKHDMHLU-UHFFFAOYSA-N 0 0 380.279 3.106 10 30 GGEERN C=CCn1c(-c2ccc(Br)s2)nnc1N1C[C@H]2COC[C@]2(C)C1 ZINC000669063895 566283654 /nfs/dbraw/zinc/28/36/54/566283654.db2.gz GZOLOPJFRVXDHB-ZBEGNZNMSA-N 0 0 395.326 3.428 10 30 GGEERN COC(=O)[C@@H]1CCN(Cc2cc(C#N)ccc2Br)[C@H]2CCC[C@@H]21 ZINC000599652778 566283983 /nfs/dbraw/zinc/28/39/83/566283983.db2.gz IDPVLHJNNBSPJJ-INMHGKMJSA-N 0 0 377.282 3.484 10 30 GGEERN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2Br)[C@@H]2CCC[C@@H]21 ZINC000599652171 566285020 /nfs/dbraw/zinc/28/50/20/566285020.db2.gz FOKCXNVKBWLBRV-BFYDXBDKSA-N 0 0 377.282 3.484 10 30 GGEERN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCc2cc(F)cc(Br)c2C1 ZINC000599684576 566286039 /nfs/dbraw/zinc/28/60/39/566286039.db2.gz ZGBFBBDHHFFCDN-SGTLLEGYSA-N 0 0 396.304 3.389 10 30 GGEERN N#CCc1cccc2c1CCN([C@@H](C(N)=O)c1cccc(Br)c1)C2 ZINC000599677275 566286378 /nfs/dbraw/zinc/28/63/78/566286378.db2.gz JAJSNQCLMDGKBZ-GOSISDBHSA-N 0 0 384.277 3.100 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1(c2ccccc2Br)CC1 ZINC000669105126 566286591 /nfs/dbraw/zinc/28/65/91/566286591.db2.gz WIUJCBADPPKZQW-MRXNPFEDSA-N 0 0 379.298 3.068 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000669103493 566286888 /nfs/dbraw/zinc/28/68/88/566286888.db2.gz RRXGOVDSANHYNQ-KRWDZBQOSA-N 0 0 393.325 3.410 10 30 GGEERN COc1cc(-c2noc(-c3cc(C#N)cn3C)n2)cc(Br)c1O ZINC000445396808 566288579 /nfs/dbraw/zinc/28/85/79/566288579.db2.gz ZBRHDTMEMFFVMV-UHFFFAOYSA-N 0 0 375.182 3.090 10 30 GGEERN N#CC1(NC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)CCSCC1 ZINC000599713580 566289416 /nfs/dbraw/zinc/28/94/16/566289416.db2.gz LHLWTNTUIZOQNP-NWANDNLSSA-N 0 0 377.307 3.240 10 30 GGEERN N#Cc1cncc(N2CCC[C@H]2c2ccc(I)cc2)n1 ZINC000420604682 566289670 /nfs/dbraw/zinc/28/96/70/566289670.db2.gz SKHYWWQBJVVEMH-AWEZNQCLSA-N 0 0 376.201 3.294 10 30 GGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000669248791 566291674 /nfs/dbraw/zinc/29/16/74/566291674.db2.gz RCLAIRHFZXBIQF-IOASZLSFSA-N 0 0 394.313 3.272 10 30 GGEERN CC1(C#N)CCN(S(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000575855147 566292729 /nfs/dbraw/zinc/29/27/29/566292729.db2.gz ABVNSAKXPQEUND-UHFFFAOYSA-N 0 0 377.691 3.417 10 30 GGEERN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2COC[C@H]2C1 ZINC000669310146 566295111 /nfs/dbraw/zinc/29/51/11/566295111.db2.gz AOAGARLLKPKNIA-QWHCGFSZSA-N 0 0 392.301 3.085 10 30 GGEERN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(CCF)CCOC ZINC000669310516 566295123 /nfs/dbraw/zinc/29/51/23/566295123.db2.gz GKCJJCPRSUDFFU-UHFFFAOYSA-N 0 0 386.269 3.034 10 30 GGEERN C=CCOc1ccc(Br)cc1NCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000669367414 566296809 /nfs/dbraw/zinc/29/68/09/566296809.db2.gz BZHGVHHIEHWURE-MRXNPFEDSA-N 0 0 395.297 3.063 10 30 GGEERN N#C[C@@H](NC(=O)c1ccnc(OCC(F)F)c1)c1ccc(Br)cc1 ZINC000535331726 566296780 /nfs/dbraw/zinc/29/67/80/566296780.db2.gz GIRKIOCOUXUQOF-CYBMUJFWSA-N 0 0 396.191 3.483 10 30 GGEERN CC(C)(CNC(=O)Nc1ccc(C#N)c(Br)c1)C(=O)N1CCCC1 ZINC000599789593 566297167 /nfs/dbraw/zinc/29/71/67/566297167.db2.gz 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/nfs/dbraw/zinc/30/61/28/566306128.db2.gz CGFBYSRRMMSOHK-SCZZXKLOSA-N 0 0 380.235 3.181 10 30 GGEERN C=CCC[C@H](NC(=O)c1ccc(Br)c(F)c1F)C(=O)OCC ZINC000599995948 566308707 /nfs/dbraw/zinc/30/87/07/566308707.db2.gz HSSPETUKUAQLKG-NSHDSACASA-N 0 0 376.197 3.355 10 30 GGEERN N#Cc1cccc(CC(=O)N2CCN(c3cccc(Br)c3)CC2)c1 ZINC000556496561 566308886 /nfs/dbraw/zinc/30/88/86/566308886.db2.gz IBRWIEMSCJHTKZ-UHFFFAOYSA-N 0 0 384.277 3.212 10 30 GGEERN C=CC[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)C1 ZINC000625353804 566312376 /nfs/dbraw/zinc/31/23/76/566312376.db2.gz GZKKYFXQXMQHAE-GJZGRUSLSA-N 0 0 385.913 3.342 10 30 GGEERN COc1c(Br)cccc1CN1CCN(c2cccc(C#N)n2)CC1 ZINC000482526000 566314358 /nfs/dbraw/zinc/31/43/58/566314358.db2.gz GBPSSBAMORIKBV-UHFFFAOYSA-N 0 0 387.281 3.047 10 30 GGEERN N#Cc1cccc(CC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)c1 ZINC000576085231 566314994 /nfs/dbraw/zinc/31/49/94/566314994.db2.gz VAQCDZNLFIXDCE-UHFFFAOYSA-N 0 0 395.260 3.365 10 30 GGEERN N#Cc1ccsc1NC(=O)C(=O)N[C@H]1COc2c1ccc(Cl)c2Cl ZINC000576093977 566315011 /nfs/dbraw/zinc/31/50/11/566315011.db2.gz HPAGZNFHJKTJHQ-JTQLQIEISA-N 0 0 382.228 3.115 10 30 GGEERN C=CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](OC(C)C)C1 ZINC000576107207 566316734 /nfs/dbraw/zinc/31/67/34/566316734.db2.gz DDBHRZPPKZMMHL-CQSZACIVSA-N 0 0 394.317 3.236 10 30 GGEERN CC(C)(C#N)CNCc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000600146795 566318268 /nfs/dbraw/zinc/31/82/68/566318268.db2.gz ZMBOSKUXLXZBDL-UHFFFAOYSA-N 0 0 386.323 3.344 10 30 GGEERN N#Cc1cscc1C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000509591338 566319225 /nfs/dbraw/zinc/31/92/25/566319225.db2.gz IEOYGANQQPKJDS-UHFFFAOYSA-N 0 0 389.234 3.362 10 30 GGEERN CC[C@H](CC#N)NCc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000600153283 566319954 /nfs/dbraw/zinc/31/99/54/566319954.db2.gz XYCNNOAQLGFXGA-MRXNPFEDSA-N 0 0 386.323 3.486 10 30 GGEERN C=CCN(Cc1nc(-c2ccoc2)no1)S(=O)(=O)c1cccc(Cl)c1 ZINC000462558437 566323911 /nfs/dbraw/zinc/32/39/11/566323911.db2.gz YILYPNTXENWAIO-UHFFFAOYSA-N 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/nfs/dbraw/zinc/33/21/66/566332166.db2.gz OXKCJJPYMRGJSL-QGZVFWFLSA-N 0 0 391.290 3.032 10 30 GGEERN N#Cc1cccc(CS(=O)(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)c1 ZINC000462618310 566333359 /nfs/dbraw/zinc/33/33/59/566333359.db2.gz LRKUGNGDFYSRPN-AWEZNQCLSA-N 0 0 383.256 3.418 10 30 GGEERN CC#CCCCC(=O)N[C@@]1(C(=O)OC)CCc2cc(Br)ccc2C1 ZINC000600356226 566334165 /nfs/dbraw/zinc/33/41/65/566334165.db2.gz JXCOOFRZUJRVOI-IBGZPJMESA-N 0 0 392.293 3.159 10 30 GGEERN COc1ncc(Br)cc1CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000600347479 566334493 /nfs/dbraw/zinc/33/44/93/566334493.db2.gz WAOMVZCGJXYQLK-UHFFFAOYSA-N 0 0 386.249 3.338 10 30 GGEERN C=CCCCN(C)C(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000446200189 566335266 /nfs/dbraw/zinc/33/52/66/566335266.db2.gz IKOSANPVLYCGNQ-UHFFFAOYSA-N 0 0 378.416 3.217 10 30 GGEERN N#C[C@H](NC(=O)c1cccc(-n2ccnn2)c1)c1ccc(Br)cc1 ZINC000535894725 566335588 /nfs/dbraw/zinc/33/55/88/566335588.db2.gz FGWPTRHQFFTWRO-INIZCTEOSA-N 0 0 382.221 3.024 10 30 GGEERN CC1(C)CCC[C@](CO)(NC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000600367839 566335690 /nfs/dbraw/zinc/33/56/90/566335690.db2.gz XMGSHCGWISTXTD-SFHVURJKSA-N 0 0 379.298 3.311 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCc2nc(C3CC3)ncc2C1 ZINC000600419257 566337440 /nfs/dbraw/zinc/33/74/40/566337440.db2.gz GQYPFTOULJYMCF-UHFFFAOYSA-N 0 0 397.276 3.116 10 30 GGEERN C[C@@H]1[C@H](C(F)(F)F)OCCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000625573610 566338686 /nfs/dbraw/zinc/33/86/86/566338686.db2.gz FNWVBPAUJANUAI-RDDDGLTNSA-N 0 0 395.296 3.185 10 30 GGEERN COc1cc(CNC(=O)[C@H]2COc3ccc(Br)cc32)ccc1C#N ZINC000576437011 566345604 /nfs/dbraw/zinc/34/56/04/566345604.db2.gz IUUQMFUAOSGVRY-HNNXBMFYSA-N 0 0 387.233 3.122 10 30 GGEERN N#C[C@H](c1cccs1)N1CCN(C(=O)CSC[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000600581958 566347526 /nfs/dbraw/zinc/34/75/26/566347526.db2.gz ZOMRMNHXMFXAQX-YYIAUSFCSA-N 0 0 375.563 3.236 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)N(CCO)Cc1ccc(Br)s1 ZINC000482994753 566350839 /nfs/dbraw/zinc/35/08/39/566350839.db2.gz ZSXQRBUOJVTTSV-UHFFFAOYSA-N 0 0 379.279 3.325 10 30 GGEERN N#Cc1cnc(CS[C@H]2CCc3cc(Br)ccc3NC2=O)nc1 ZINC000600632291 566351704 /nfs/dbraw/zinc/35/17/04/566351704.db2.gz HVGLUNKAYWDPGH-AWEZNQCLSA-N 0 0 389.278 3.297 10 30 GGEERN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC1CCOCC1 ZINC000670220984 566354410 /nfs/dbraw/zinc/35/44/10/566354410.db2.gz AKYNHWMRNIZZRG-UHFFFAOYSA-N 0 0 394.317 3.475 10 30 GGEERN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)O[C@H](C)C1 ZINC000670223214 566356046 /nfs/dbraw/zinc/35/60/46/566356046.db2.gz YKICLYUAJWSHAR-VXGBXAGGSA-N 0 0 380.290 3.225 10 30 GGEERN CCO[C@@H](CS(=O)(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C1CC1 ZINC000600654604 566356081 /nfs/dbraw/zinc/35/60/81/566356081.db2.gz BFCUHTWWGWMGEW-AWEZNQCLSA-N 0 0 378.372 3.014 10 30 GGEERN Cc1ccc(CS(=O)(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1C#N ZINC000600658053 566356183 /nfs/dbraw/zinc/35/61/83/566356183.db2.gz CUNXWNVIGUILSW-UHFFFAOYSA-N 0 0 377.849 3.406 10 30 GGEERN COc1cc(CS(=O)(=O)Cc2ccc(C)c(C#N)c2)c(Br)cn1 ZINC000600662386 566356316 /nfs/dbraw/zinc/35/63/16/566356316.db2.gz LAMPGRKFMPBSSV-UHFFFAOYSA-N 0 0 395.278 3.148 10 30 GGEERN C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@H]1CCOC1 ZINC000670342853 566357347 /nfs/dbraw/zinc/35/73/47/566357347.db2.gz GVIHFBYPLUVGFS-CYBMUJFWSA-N 0 0 377.286 3.366 10 30 GGEERN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N(C[C@H](C)C#N)C1CC1 ZINC000510033537 566359375 /nfs/dbraw/zinc/35/93/75/566359375.db2.gz DXPRRUVUMNMYMU-SECBINFHSA-N 0 0 391.276 3.093 10 30 GGEERN C=CCN(C(=O)c1sc(COC)nc1C)c1nc(C(=O)OCC)cs1 ZINC000536262297 566361352 /nfs/dbraw/zinc/36/13/52/566361352.db2.gz GPDURKLXICAFCX-UHFFFAOYSA-N 0 0 381.479 3.064 10 30 GGEERN N#CC1(C[C@@H](O)CNCc2c(F)c(F)c(Br)c(F)c2F)CC1 ZINC000600739362 566362600 /nfs/dbraw/zinc/36/26/00/566362600.db2.gz PIWMQQUXTYPUFK-SSDOTTSWSA-N 0 0 381.167 3.150 10 30 GGEERN N#Cc1ccccc1OCC(=O)N1CC(Cc2ccccc2Br)C1 ZINC000600757182 566364404 /nfs/dbraw/zinc/36/44/04/566364404.db2.gz KSMCIVPZNDWRKP-UHFFFAOYSA-N 0 0 385.261 3.401 10 30 GGEERN 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ZINC000602049833 566442868 /nfs/dbraw/zinc/44/28/68/566442868.db2.gz XYQCJICXGCFSGB-UHFFFAOYSA-N 0 0 394.269 3.103 10 30 GGEERN COc1cc(CNS(=O)(=O)Cc2c(Cl)cccc2Cl)ccc1C#N ZINC000577546134 566443427 /nfs/dbraw/zinc/44/34/27/566443427.db2.gz XPGAJUUONKCGBF-UHFFFAOYSA-N 0 0 385.272 3.493 10 30 GGEERN C=C[C@H](CO)NC(=O)Nc1cc(OC(F)(F)F)c(F)cc1Br ZINC000626712932 566444895 /nfs/dbraw/zinc/44/48/95/566444895.db2.gz XTMFXVUJXONXGK-ZCFIWIBFSA-N 0 0 387.127 3.155 10 30 GGEERN C[C@@H](Oc1cccc(CO)c1)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000537447246 566446589 /nfs/dbraw/zinc/44/65/89/566446589.db2.gz XLWVMEYYAGACRG-PXAZEXFGSA-N 0 0 389.249 3.090 10 30 GGEERN COC[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC000558108600 566450327 /nfs/dbraw/zinc/45/03/27/566450327.db2.gz KKBBDYIEFUQMRR-QGZVFWFLSA-N 0 0 382.844 3.158 10 30 GGEERN C=C(C)COCCNC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000511327409 566453525 /nfs/dbraw/zinc/45/35/25/566453525.db2.gz YYGQIRBJFMWADB-KRWDZBQOSA-N 0 0 387.307 3.076 10 30 GGEERN CC(C)[C@H](NC(=O)c1cccc(F)c1OC(F)(F)F)[C@H](O)C(F)(F)F ZINC000626907702 566454802 /nfs/dbraw/zinc/45/48/02/566454802.db2.gz ZFEMHEADODQIJN-ONGXEEELSA-N 0 0 377.256 3.402 10 30 GGEERN C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000511352462 566456783 /nfs/dbraw/zinc/45/67/83/566456783.db2.gz VXDXJPGIJHKJES-UHFFFAOYSA-N 0 0 380.853 3.064 10 30 GGEERN C=CCCNC(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000627002595 566459795 /nfs/dbraw/zinc/45/97/95/566459795.db2.gz YGFZVSQOHUYBIU-UHFFFAOYSA-N 0 0 395.301 3.321 10 30 GGEERN N#C[C@@H](NC(=O)c1cc(-n2ccnc2)ccn1)c1ccc(Br)cc1 ZINC000484867112 566461554 /nfs/dbraw/zinc/46/15/54/566461554.db2.gz XDTNWSBFCHNMOO-MRXNPFEDSA-N 0 0 382.221 3.024 10 30 GGEERN CC(C)[C@H](C#N)NC(=O)c1cccn1-c1cccc(I)c1 ZINC000464305332 566463999 /nfs/dbraw/zinc/46/39/99/566463999.db2.gz QOADCFRTFTZSPD-AWEZNQCLSA-N 0 0 393.228 3.360 10 30 GGEERN C=CCCCNC(=O)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl ZINC000448319910 566466985 /nfs/dbraw/zinc/46/69/85/566466985.db2.gz 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ZINC000424362402 566530986 /nfs/dbraw/zinc/53/09/86/566530986.db2.gz NJZWBXSGQPJVMF-UHFFFAOYSA-N 0 0 385.283 3.357 10 30 GGEERN COc1cc(CCNS(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1Cl ZINC000559157975 566531387 /nfs/dbraw/zinc/53/13/87/566531387.db2.gz OQMOIIIZNDVOEV-UHFFFAOYSA-N 0 0 385.272 3.395 10 30 GGEERN FC(F)(F)c1nnc(N2CCN(CC#Cc3ccccc3Cl)CC2)s1 ZINC000485861105 566534188 /nfs/dbraw/zinc/53/41/88/566534188.db2.gz GCRBABKFQYZPBR-UHFFFAOYSA-N 0 0 386.830 3.384 10 30 GGEERN C[C@@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)c1ccc2ncsc2c1 ZINC000485923284 566540193 /nfs/dbraw/zinc/54/01/93/566540193.db2.gz MWBCKEBPAGOMJK-LLVKDONJSA-N 0 0 375.450 3.488 10 30 GGEERN N#Cc1ccc(OCCNC(=O)NCc2cc(F)cc(Br)c2)cc1 ZINC000465707045 566540716 /nfs/dbraw/zinc/54/07/16/566540716.db2.gz FDVGURUDPCYVKY-UHFFFAOYSA-N 0 0 392.228 3.338 10 30 GGEERN C=C(C)CN(CC)C(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC000424580853 566542714 /nfs/dbraw/zinc/54/27/14/566542714.db2.gz FWDUXLHFFQALNK-UHFFFAOYSA-N 0 0 388.327 3.428 10 30 GGEERN C[C@@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc2ncsc2c1 ZINC000485952503 566542939 /nfs/dbraw/zinc/54/29/39/566542939.db2.gz BIIKYWIWUHMGJT-SECBINFHSA-N 0 0 379.413 3.486 10 30 GGEERN N#Cc1ccsc1NC(=O)C(=O)NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000578677561 566543433 /nfs/dbraw/zinc/54/34/33/566543433.db2.gz YSPRHZAUVNXOBH-UHFFFAOYSA-N 0 0 377.828 3.355 10 30 GGEERN C[C@H](CC(=O)c1cccs1)NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000651617720 566543760 /nfs/dbraw/zinc/54/37/60/566543760.db2.gz NTKRLSYNPXXFRW-CYBMUJFWSA-N 0 0 376.503 3.489 10 30 GGEERN C=CC(C)(C)CCNC(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000628313722 566543888 /nfs/dbraw/zinc/54/38/88/566543888.db2.gz YGSGUAIKMWIQFD-UHFFFAOYSA-N 0 0 378.416 3.409 10 30 GGEERN C=CCOc1c(Cl)cc(CN2CCS(=O)(=O)[C@H]3CCC[C@H]32)cc1OC ZINC000628301656 566544087 /nfs/dbraw/zinc/54/40/87/566544087.db2.gz BFIXTSVFWCBVCG-WBVHZDCISA-N 0 0 385.913 3.065 10 30 GGEERN Cc1ccsc1[C@H](CO)NC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000538888060 566544804 /nfs/dbraw/zinc/54/48/04/566544804.db2.gz WHFIYURBRVQPKR-HNNXBMFYSA-N 0 0 375.519 3.190 10 30 GGEERN C=CC(C)(C)CCNC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C ZINC000628314935 566544903 /nfs/dbraw/zinc/54/49/03/566544903.db2.gz SBEMAXXCMAQEAC-UHFFFAOYSA-N 0 0 388.327 3.493 10 30 GGEERN Cc1c(Br)c2ccccc2n1CC(=O)N[C@]1(C#N)CCSC1 ZINC000603927178 566545162 /nfs/dbraw/zinc/54/51/62/566545162.db2.gz WLEXMWNKNNFQNL-INIZCTEOSA-N 0 0 378.295 3.228 10 30 GGEERN C=CC(C)(C)CCNC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000628317353 566545903 /nfs/dbraw/zinc/54/59/03/566545903.db2.gz GKCAYNWOSHUJJT-UHFFFAOYSA-N 0 0 388.327 3.082 10 30 GGEERN CN(C)S(=O)(=O)c1ccc(C[S@@](=O)CCC2(C#N)CCCCC2)s1 ZINC000424612628 566546825 /nfs/dbraw/zinc/54/68/25/566546825.db2.gz YOTITOCWYZWOJX-QHCPKHFHSA-N 0 0 388.580 3.111 10 30 GGEERN C=CCC1(C(=O)NCc2cc3c(c(Br)c2)OCO3)CCOCC1 ZINC000424611831 566547007 /nfs/dbraw/zinc/54/70/07/566547007.db2.gz FCUVNPSDTZDDML-UHFFFAOYSA-N 0 0 382.254 3.167 10 30 GGEERN CCN(CCCNS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000603957629 566547253 /nfs/dbraw/zinc/54/72/53/566547253.db2.gz YLQMAHFZNYOCLR-UHFFFAOYSA-N 0 0 377.897 3.407 10 30 GGEERN N#Cc1cc(S(=O)(=O)NC[C@H](c2cccs2)N2CCCC2)ccc1Cl ZINC000603955947 566547701 /nfs/dbraw/zinc/54/77/01/566547701.db2.gz KFUUBEHQNOXEIX-MRXNPFEDSA-N 0 0 395.937 3.389 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCC/C=C\c1ccc(Br)cc1 ZINC000628336981 566549424 /nfs/dbraw/zinc/54/94/24/566549424.db2.gz ULVCJICCSITXTQ-AATOQMJSSA-N 0 0 379.298 3.440 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000486115003 566559568 /nfs/dbraw/zinc/55/95/68/566559568.db2.gz CYDWAFOVXJDGOV-UHOFOFEASA-N 0 0 383.275 3.196 10 30 GGEERN C=CCC1(C(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)CCCC1 ZINC000578845462 566559528 /nfs/dbraw/zinc/55/95/28/566559528.db2.gz OFDXTKYKKZEALH-OAHLLOKOSA-N 0 0 382.551 3.011 10 30 GGEERN C=CC[C@H]1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000628485890 566560053 /nfs/dbraw/zinc/56/00/53/566560053.db2.gz WKNTVRGESIZVCY-ZDUSSCGKSA-N 0 0 380.286 3.385 10 30 GGEERN C=CC[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000628485056 566560771 /nfs/dbraw/zinc/56/07/71/566560771.db2.gz BABPDPUAYHDHLF-KBPBESRZSA-N 0 0 377.282 3.227 10 30 GGEERN C=CC[C@@H]1CCN(C(=O)CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000628493562 566562015 /nfs/dbraw/zinc/56/20/15/566562015.db2.gz RVWVMIHEGHLKSP-CYBMUJFWSA-N 0 0 386.311 3.038 10 30 GGEERN C=CC[C@@H]1CCN(C(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)C1 ZINC000628486151 566562572 /nfs/dbraw/zinc/56/25/72/566562572.db2.gz BOEZQKGOSZLRHQ-SNVBAGLBSA-N 0 0 390.274 3.030 10 30 GGEERN C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1cccc(Br)c1Cl ZINC000578917325 566564167 /nfs/dbraw/zinc/56/41/67/566564167.db2.gz OJJAPUSTSUOQHK-YGRLFVJLSA-N 0 0 394.718 3.362 10 30 GGEERN O=S(=O)(c1cnccc1C(F)(F)F)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000651801840 566564240 /nfs/dbraw/zinc/56/42/40/566564240.db2.gz LGPCNQCGDRZESA-UHFFFAOYSA-N 0 0 392.296 3.156 10 30 GGEERN O=S(=O)(c1cc(F)c(F)cc1F)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000651801982 566564258 /nfs/dbraw/zinc/56/42/58/566564258.db2.gz SXTKXONDFHYDGT-UHFFFAOYSA-N 0 0 377.281 3.159 10 30 GGEERN COC(=O)[C@H](c1cc(OC)ccc1Br)N(C)Cc1ccc(C#N)o1 ZINC000449460458 566565798 /nfs/dbraw/zinc/56/57/98/566565798.db2.gz NKPBRHZQEROGLL-INIZCTEOSA-N 0 0 393.237 3.268 10 30 GGEERN COc1ccc([C@@H](C)NS(=O)(=O)CC2(C#N)CCC2)cc1Br ZINC000578938458 566566864 /nfs/dbraw/zinc/56/68/64/566566864.db2.gz FGSUKVJGHGMKHH-LLVKDONJSA-N 0 0 387.299 3.132 10 30 GGEERN COc1ccc([C@H](C)NS(=O)(=O)CC2(C#N)CCC2)cc1Br ZINC000578938462 566567582 /nfs/dbraw/zinc/56/75/82/566567582.db2.gz FGSUKVJGHGMKHH-NSHDSACASA-N 0 0 387.299 3.132 10 30 GGEERN C=C(C)COc1cc(CNCc2nn(C)cc2Br)ccc1OC ZINC000449482560 566568062 /nfs/dbraw/zinc/56/80/62/566568062.db2.gz CCSXSFYEKYVRSI-UHFFFAOYSA-N 0 0 380.286 3.436 10 30 GGEERN Cn1cc(Br)c(CNCc2cn(CCC#N)nc2-c2ccccc2)n1 ZINC000449487914 566570273 /nfs/dbraw/zinc/57/02/73/566570273.db2.gz ZNRYKCIVSFBDKW-UHFFFAOYSA-N 0 0 399.296 3.250 10 30 GGEERN C=CCC1(C(=O)NC[C@H](CO)Cc2ccccc2Br)CCOCC1 ZINC000424799814 566572685 /nfs/dbraw/zinc/57/26/85/566572685.db2.gz HXYSDHWWKAQSSY-OAHLLOKOSA-N 0 0 396.325 3.089 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000628659227 566572679 /nfs/dbraw/zinc/57/26/79/566572679.db2.gz CPXQELPQZKHUBR-OAHLLOKOSA-N 0 0 377.282 3.298 10 30 GGEERN N#Cc1cc(NC(=O)C(=O)NCc2ccc(C3CC3)cc2)ccc1Br ZINC000559848858 566573151 /nfs/dbraw/zinc/57/31/51/566573151.db2.gz MAWSTNFXQHSLEG-UHFFFAOYSA-N 0 0 398.260 3.453 10 30 GGEERN C=CCC1(C(=O)NC[C@H](CO)Cc2cccc(Br)c2)CCOCC1 ZINC000424809919 566573803 /nfs/dbraw/zinc/57/38/03/566573803.db2.gz WXJBCDRLTBFUJD-MRXNPFEDSA-N 0 0 396.325 3.089 10 30 GGEERN C=CCC1(C(=O)NC[C@@H](CO)Cc2cccc(Br)c2)CCOCC1 ZINC000424809917 566573997 /nfs/dbraw/zinc/57/39/97/566573997.db2.gz WXJBCDRLTBFUJD-INIZCTEOSA-N 0 0 396.325 3.089 10 30 GGEERN CC(C)C[C@@](C)(C#N)NC(=O)COc1cccc(I)c1 ZINC000486317055 566577339 /nfs/dbraw/zinc/57/73/39/566577339.db2.gz MJEFPFWZCXCTGO-HNNXBMFYSA-N 0 0 386.233 3.115 10 30 GGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Cc1noc2ccc(Br)cc12 ZINC000424845544 566578722 /nfs/dbraw/zinc/57/87/22/566578722.db2.gz WSSGHEQYBQYSFK-GTNSWQLSSA-N 0 0 379.254 3.230 10 30 GGEERN N#Cc1c(Br)cccc1S(=O)(=O)N1CC2CC1(C(F)(F)F)C2 ZINC000579097152 566580562 /nfs/dbraw/zinc/58/05/62/566580562.db2.gz GOQIPJQBBOEUTR-UHFFFAOYSA-N 0 0 395.200 3.036 10 30 GGEERN N#CCN1CCN(Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC000513127373 566580953 /nfs/dbraw/zinc/58/09/53/566580953.db2.gz HDHZYDUKIMPWFR-UHFFFAOYSA-N 0 0 377.311 3.214 10 30 GGEERN COc1cccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)c1OC ZINC000513141122 566582569 /nfs/dbraw/zinc/58/25/69/566582569.db2.gz NISDWPDTSNZDBV-CQSZACIVSA-N 0 0 375.222 3.461 10 30 GGEERN COc1ccc(OC)c(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c1 ZINC000513135734 566583258 /nfs/dbraw/zinc/58/32/58/566583258.db2.gz NQOFDDFSDPCGFX-HNNXBMFYSA-N 0 0 375.222 3.461 10 30 GGEERN COc1ccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)c(OC)c1 ZINC000513136610 566583951 /nfs/dbraw/zinc/58/39/51/566583951.db2.gz ZAWXYPGZLUBCAB-OAHLLOKOSA-N 0 0 375.222 3.461 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)CC(=O)c1cccc(Br)c1 ZINC000424935607 566588474 /nfs/dbraw/zinc/58/84/74/566588474.db2.gz YEMFINGSNVAYQY-IFIJOSMWSA-N 0 0 380.282 3.365 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCSc1ncnc2sc(C)c(C)c21 ZINC000424934289 566588791 /nfs/dbraw/zinc/58/87/91/566588791.db2.gz UMHRUJDLNBCRJY-KBPBESRZSA-N 0 0 377.535 3.498 10 30 GGEERN C[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)c1ncc(Br)cn1 ZINC000486434152 566588955 /nfs/dbraw/zinc/58/89/55/566588955.db2.gz NFCUYSQNQZBBKL-SNVBAGLBSA-N 0 0 398.220 3.257 10 30 GGEERN C=CCn1c(SC[C@@H](O)COC)nc2sc3c(c2c1=O)CCCCC3 ZINC000539624511 566591590 /nfs/dbraw/zinc/59/15/90/566591590.db2.gz AXINSZADZBWOOL-LBPRGKRZSA-N 0 0 380.535 3.012 10 30 GGEERN COC(=O)C[C@@H](NC(=O)c1ccc(C#N)s1)c1ccc(Br)cc1 ZINC000486600449 566602508 /nfs/dbraw/zinc/60/25/08/566602508.db2.gz HUAUXNONRWOFTA-CYBMUJFWSA-N 0 0 393.262 3.416 10 30 GGEERN C=CCN(CC(F)(F)F)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449813010 566604137 /nfs/dbraw/zinc/60/41/37/566604137.db2.gz FZVUMDDEZYDERX-UHFFFAOYSA-N 0 0 377.160 3.276 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCc2cc(Cl)ccc2OC(F)F)ccc1F ZINC000466931991 566609135 /nfs/dbraw/zinc/60/91/35/566609135.db2.gz CYHAGFLDXLEDJY-UHFFFAOYSA-N 0 0 390.770 3.431 10 30 GGEERN CC(C)(C)Oc1ccc(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)cn1 ZINC000486674251 566610920 /nfs/dbraw/zinc/61/09/20/566610920.db2.gz VRRJMAJSPMSKMT-UHFFFAOYSA-N 0 0 379.869 3.262 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NCC(=O)C1CCC(F)(F)CC1 ZINC000652465504 566611803 /nfs/dbraw/zinc/61/18/03/566611803.db2.gz QCVWRTQGXIVEBB-UHFFFAOYSA-N 0 0 399.235 3.374 10 30 GGEERN CC[C@@H](NC(=O)COc1cccc(Br)c1C#N)c1nccs1 ZINC000449906766 566614923 /nfs/dbraw/zinc/61/49/23/566614923.db2.gz JNFQLDCUSXPARY-GFCCVEGCSA-N 0 0 380.267 3.424 10 30 GGEERN C=CCCCN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000605645240 566616729 /nfs/dbraw/zinc/61/67/29/566616729.db2.gz ICPVKBFYWCQBOW-MRXNPFEDSA-N 0 0 379.298 3.478 10 30 GGEERN CN(C)Cc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1Br ZINC000467028202 566618628 /nfs/dbraw/zinc/61/86/28/566618628.db2.gz GVENWUKOHROUJX-UHFFFAOYSA-N 0 0 388.265 3.400 10 30 GGEERN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(CC)[C@H]1CCCOC1 ZINC000652563686 566618919 /nfs/dbraw/zinc/61/89/19/566618919.db2.gz WQWQOHJYXPLOHF-ZDUSSCGKSA-N 0 0 380.290 3.227 10 30 GGEERN C=CCn1c(-c2cc(Br)cn2C)nnc1N(CC)[C@@H]1CCCOC1 ZINC000652563235 566619166 /nfs/dbraw/zinc/61/91/66/566619166.db2.gz FSFGRNUHUAMPPQ-CQSZACIVSA-N 0 0 394.317 3.237 10 30 GGEERN COCCCCS(=O)(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N ZINC000425229419 566620256 /nfs/dbraw/zinc/62/02/56/566620256.db2.gz UCDOOCRYIAGFPA-CYBMUJFWSA-N 0 0 378.416 3.176 10 30 GGEERN C=CCN(Cc1ccccc1)C(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000486799769 566623409 /nfs/dbraw/zinc/62/34/09/566623409.db2.gz NMHFNDKLEBGACT-UHFFFAOYSA-N 0 0 398.264 3.253 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)cc1Cl ZINC000540068739 566625604 /nfs/dbraw/zinc/62/56/04/566625604.db2.gz HYGPNCNLBYCTCL-QAPCUYQASA-N 0 0 376.865 3.268 10 30 GGEERN Cc1ccc2c(ncc(C#N)c2NC[C@H]2CCN(C)C(=O)C2)c1Br ZINC000425264443 566625934 /nfs/dbraw/zinc/62/59/34/566625934.db2.gz FYYOWGCRJLFHSQ-LBPRGKRZSA-N 0 0 387.281 3.458 10 30 GGEERN Cc1ccc2c(ncc(C#N)c2NC[C@@H]2CCN(C)C(=O)C2)c1Br ZINC000425264442 566626142 /nfs/dbraw/zinc/62/61/42/566626142.db2.gz FYYOWGCRJLFHSQ-GFCCVEGCSA-N 0 0 387.281 3.458 10 30 GGEERN N#Cc1cc(S(=O)(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)ccc1Cl ZINC000540071632 566628305 /nfs/dbraw/zinc/62/83/05/566628305.db2.gz SOPYORGIFZGYKT-RDTXWAMCSA-N 0 0 376.865 3.268 10 30 GGEERN N#Cc1cc(F)c(N2CCC[C@H](c3ccnc(N)n3)C2)cc1Br ZINC000579730569 566633890 /nfs/dbraw/zinc/63/38/90/566633890.db2.gz FUBBHXBTFLNZHE-JTQLQIEISA-N 0 0 376.233 3.046 10 30 GGEERN CCN(Cc1ccc(S(=O)(=O)N(C)C)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000425407730 566639781 /nfs/dbraw/zinc/63/97/81/566639781.db2.gz PUMDRGFKFIHXPH-CQSZACIVSA-N 0 0 377.535 3.453 10 30 GGEERN N#Cc1c(Br)cccc1OCC(=O)NCCC[C@H]1CCCC[C@@H]1O ZINC000450172529 566641302 /nfs/dbraw/zinc/64/13/02/566641302.db2.gz LQAXGDOKOYJTQW-CJNGLKHVSA-N 0 0 395.297 3.147 10 30 GGEERN CN(CCOc1ccccc1Cl)S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000579827543 566643522 /nfs/dbraw/zinc/64/35/22/566643522.db2.gz LHQAHKQKIXYILT-UHFFFAOYSA-N 0 0 378.881 3.247 10 30 GGEERN N#CCCN(C(=O)c1cnn2cc(Br)cnc12)c1ccc(F)cc1 ZINC000560613213 566644218 /nfs/dbraw/zinc/64/42/18/566644218.db2.gz LOHXGYYVDRRXCK-UHFFFAOYSA-N 0 0 388.200 3.191 10 30 GGEERN N#Cc1cccc2c1CN(C(=O)C1(c3cccc(Br)c3)CC(=O)C1)C2 ZINC000653006717 566644945 /nfs/dbraw/zinc/64/49/45/566644945.db2.gz CLAMGBUZVIYVKU-UHFFFAOYSA-N 0 0 395.256 3.464 10 30 GGEERN N#Cc1cc(Br)cnc1N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000450225531 566646375 /nfs/dbraw/zinc/64/63/75/566646375.db2.gz GUOZOZTWQQHZPX-UHFFFAOYSA-N 0 0 399.292 3.249 10 30 GGEERN C=CC[C@@H](CO)CNc1ccc2nnc(-c3cc(Cl)cc(Cl)c3)n2n1 ZINC000540345011 566646936 /nfs/dbraw/zinc/64/69/36/566646936.db2.gz BEDZJWCZERVWET-LLVKDONJSA-N 0 0 378.263 3.117 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000425494833 566648394 /nfs/dbraw/zinc/64/83/94/566648394.db2.gz TVDOZRMBWVMEAL-CSFVBSKPSA-N 0 0 397.313 3.415 10 30 GGEERN C[C@H](C#N)CN(C(=O)c1cc(F)c(F)cc1I)C1CC1 ZINC000514236166 566648718 /nfs/dbraw/zinc/64/87/18/566648718.db2.gz OTBFSOLNKPJSBM-MRVPVSSYSA-N 0 0 390.171 3.334 10 30 GGEERN N#Cc1cc(Br)cnc1NCc1cccc(NC(=O)C2CCC2)c1 ZINC000450248324 566649212 /nfs/dbraw/zinc/64/92/12/566649212.db2.gz QYUXUJPTFOAMBS-UHFFFAOYSA-N 0 0 385.265 3.488 10 30 GGEERN C[C@@H](C#N)CN(C(=O)CCC[S@@](=O)c1ccc(Br)cc1)C1CC1 ZINC000514248234 566650531 /nfs/dbraw/zinc/65/05/31/566650531.db2.gz NMMXFSMBSIPIRE-ZAMGYDSWSA-N 0 0 397.338 3.488 10 30 GGEERN N#Cc1cc(Br)cnc1NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000450274014 566652638 /nfs/dbraw/zinc/65/26/38/566652638.db2.gz JFFGBRHUKSUZOK-GFCCVEGCSA-N 0 0 375.245 3.215 10 30 GGEERN COc1ccc(CCCNc2ncc(Br)cc2C#N)cc1OC ZINC000450272981 566653183 /nfs/dbraw/zinc/65/31/83/566653183.db2.gz AEBSUQWTSSUFSG-UHFFFAOYSA-N 0 0 376.254 3.200 10 30 GGEERN C=CCC1(C(=O)Nc2ncc(F)cc2I)CCOCC1 ZINC000425535844 566653965 /nfs/dbraw/zinc/65/39/65/566653965.db2.gz HTWBWTUXVRELLP-UHFFFAOYSA-N 0 0 390.196 3.137 10 30 GGEERN N#Cc1ccc(CN2CCN(Cc3cc(Br)ccc3F)CC2)o1 ZINC000467548855 566653931 /nfs/dbraw/zinc/65/39/31/566653931.db2.gz RNZSIVZLOYELGM-UHFFFAOYSA-N 0 0 378.245 3.371 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCc2cc(Br)cc(C)c2C1 ZINC000425562619 566654586 /nfs/dbraw/zinc/65/45/86/566654586.db2.gz GSRCBYFGFGWTPA-YOEHRIQHSA-N 0 0 379.298 3.416 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCc2c(Br)cc(C)cc2C1 ZINC000425566177 566655704 /nfs/dbraw/zinc/65/57/04/566655704.db2.gz PWZVGAVZZAFUJB-GUYCJALGSA-N 0 0 379.298 3.416 10 30 GGEERN COC(=O)c1conc1C(C)(C)NCc1ccc(C#N)cc1Br ZINC000425588226 566658571 /nfs/dbraw/zinc/65/85/71/566658571.db2.gz OGKVCOAQANEBQL-UHFFFAOYSA-N 0 0 378.226 3.120 10 30 GGEERN Cc1c(NC(=O)CCS(=O)(=O)CC(C)C)ccc(Br)c1C#N ZINC000425625023 566660029 /nfs/dbraw/zinc/66/00/29/566660029.db2.gz FRWCIMBBPCVFGJ-UHFFFAOYSA-N 0 0 387.299 3.029 10 30 GGEERN N#Cc1cnc(N[C@@H]2CCN(c3ccccc3Br)C2)c([N+](=O)[O-])c1 ZINC000450335913 566660301 /nfs/dbraw/zinc/66/03/01/566660301.db2.gz MWRJLOJAKIESNN-GFCCVEGCSA-N 0 0 388.225 3.315 10 30 GGEERN N#Cc1cc(Br)cnc1NCCC1CCN(CC(F)(F)F)CC1 ZINC000450370388 566663745 /nfs/dbraw/zinc/66/37/45/566663745.db2.gz XYRIDHXROOKUKW-UHFFFAOYSA-N 0 0 391.235 3.214 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C)cc(I)c1 ZINC000425676926 566666553 /nfs/dbraw/zinc/66/65/53/566666553.db2.gz UUGNQVJIFZAYLR-FZMZJTMJSA-N 0 0 386.233 3.312 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CCC1 ZINC000580143102 566668238 /nfs/dbraw/zinc/66/82/38/566668238.db2.gz OAGIQZLNESZBLB-GFCCVEGCSA-N 0 0 388.320 3.185 10 30 GGEERN COCCCOc1cccc(CNc2ncc(Br)cc2C#N)c1 ZINC000450407773 566668934 /nfs/dbraw/zinc/66/89/34/566668934.db2.gz RUXZQBUPMPUMFX-UHFFFAOYSA-N 0 0 376.254 3.165 10 30 GGEERN Cc1c(NC(=O)C(=O)NC[C@@H]2CC=CCC2)ccc(Br)c1C#N ZINC000425734792 566671151 /nfs/dbraw/zinc/67/11/51/566671151.db2.gz CSGVUWACDHYGAB-GFCCVEGCSA-N 0 0 376.254 3.040 10 30 GGEERN CSCC[C@H](C)N(C)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000425736293 566672835 /nfs/dbraw/zinc/67/28/35/566672835.db2.gz DOBMQBHTVAXVGI-JTQLQIEISA-N 0 0 398.326 3.168 10 30 GGEERN CSCC[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000425736294 566673402 /nfs/dbraw/zinc/67/34/02/566673402.db2.gz DOBMQBHTVAXVGI-SNVBAGLBSA-N 0 0 398.326 3.168 10 30 GGEERN CCc1noc(C)c1NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000425754858 566674307 /nfs/dbraw/zinc/67/43/07/566674307.db2.gz JHMDXDWNYNWJHB-UHFFFAOYSA-N 0 0 391.225 3.065 10 30 GGEERN CSCCCCCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000425768829 566675761 /nfs/dbraw/zinc/67/57/61/566675761.db2.gz NFEMBRAPAVUDGT-UHFFFAOYSA-N 0 0 398.326 3.217 10 30 GGEERN CCc1ccc([C@@H](C#N)NC(=O)c2cnn3cc(Br)cnc23)cc1 ZINC000514886929 566676582 /nfs/dbraw/zinc/67/65/82/566676582.db2.gz 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GGEERN CO[C@@H]1COCC[C@@H]1CNc1c(C#N)cnc2c(Br)cccc21 ZINC000450705072 566697926 /nfs/dbraw/zinc/69/79/26/566697926.db2.gz WMFNIMWYSLZELP-IAQYHMDHSA-N 0 0 376.254 3.332 10 30 GGEERN CO[C@H]1COCC[C@@H]1CNc1c(C#N)cnc2c(Br)cccc21 ZINC000450705070 566698091 /nfs/dbraw/zinc/69/80/91/566698091.db2.gz WMFNIMWYSLZELP-ABAIWWIYSA-N 0 0 376.254 3.332 10 30 GGEERN C=CCN=c1[nH]cc(C(=O)N2CC(Cc3ccccc3Br)C2)s1 ZINC000630028505 566700121 /nfs/dbraw/zinc/70/01/21/566700121.db2.gz VZELQORJQHESJI-UHFFFAOYSA-N 0 0 392.322 3.240 10 30 GGEERN C=CCCCNC(=O)[C@@H](CCC)NC(=O)NCc1ccc(Br)cc1 ZINC000468400607 566699967 /nfs/dbraw/zinc/69/99/67/566699967.db2.gz DBYOHAAGZBRRTC-MRXNPFEDSA-N 0 0 396.329 3.499 10 30 GGEERN N#Cc1ccc(Cl)cc1NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000561360028 566700399 /nfs/dbraw/zinc/70/03/99/566700399.db2.gz PGQNAJSXUKQDRD-LBPRGKRZSA-N 0 0 381.910 3.396 10 30 GGEERN N#Cc1c(Cl)cccc1SCC(=O)NCCCN1CCCCCC1=O ZINC000541173064 566700793 /nfs/dbraw/zinc/70/07/93/566700793.db2.gz 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/nfs/dbraw/zinc/71/10/06/566711006.db2.gz VDMONXIQAXIYAB-UHFFFAOYSA-N 0 0 397.269 3.323 10 30 GGEERN N#Cc1ccsc1C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000468599180 566713425 /nfs/dbraw/zinc/71/34/25/566713425.db2.gz PCXHCXJAFYBFOO-UHFFFAOYSA-N 0 0 389.234 3.362 10 30 GGEERN N#CC1(NC(=O)CCOc2ccccc2I)CCCC1 ZINC000426483864 566713576 /nfs/dbraw/zinc/71/35/76/566713576.db2.gz QSBURTRDMZVGRQ-UHFFFAOYSA-N 0 0 384.217 3.013 10 30 GGEERN CNC(=O)c1cccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)c1Br ZINC000515476024 566714126 /nfs/dbraw/zinc/71/41/26/566714126.db2.gz CRDTWZLXJDTNGH-UHFFFAOYSA-N 0 0 398.260 3.351 10 30 GGEERN N#Cc1csc(CN2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)n1 ZINC000580707953 566716727 /nfs/dbraw/zinc/71/67/27/566716727.db2.gz ZYIIALASFOABMM-UHFFFAOYSA-N 0 0 381.288 3.280 10 30 GGEERN COc1cc(CNC(=O)[C@H](C)Oc2cccc(Br)c2)ccc1C#N ZINC000515561507 566720564 /nfs/dbraw/zinc/72/05/64/566720564.db2.gz AOPAEBMIGXGGJR-LBPRGKRZSA-N 0 0 389.249 3.413 10 30 GGEERN COc1cc(CNC(=O)[C@@H](C)Oc2cccc(Br)c2)ccc1C#N ZINC000515561506 566720940 /nfs/dbraw/zinc/72/09/40/566720940.db2.gz AOPAEBMIGXGGJR-GFCCVEGCSA-N 0 0 389.249 3.413 10 30 GGEERN O=C(c1cc(F)c(C(F)(F)F)c(F)c1)N1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000654213799 566721635 /nfs/dbraw/zinc/72/16/35/566721635.db2.gz RCOBOVMAJXHJBX-KSBSHMNSSA-N 0 0 377.231 3.369 10 30 GGEERN CN(C)C(=O)N[C@@H]1CCCN(c2c(Br)cc(Cl)cc2C#N)C1 ZINC000450922337 566722413 /nfs/dbraw/zinc/72/24/13/566722413.db2.gz CROVOLMOFYTQJU-GFCCVEGCSA-N 0 0 385.693 3.214 10 30 GGEERN Cc1ncc(S(=O)(=O)N2CCC[C@H]2Cc2ccccc2Cl)cc1C#N ZINC000580809631 566724389 /nfs/dbraw/zinc/72/43/89/566724389.db2.gz KUSDTAUXRDZNPR-INIZCTEOSA-N 0 0 375.881 3.311 10 30 GGEERN Cc1ncc(S(=O)(=O)N2CCC[C@@H]2Cc2ccccc2Cl)cc1C#N ZINC000580809636 566724989 /nfs/dbraw/zinc/72/49/89/566724989.db2.gz KUSDTAUXRDZNPR-MRXNPFEDSA-N 0 0 375.881 3.311 10 30 GGEERN C=C(C)[C@@H](CO)Sc1nc2sc3c(c2c(=O)n1CCOC)CCCC3 ZINC000677131656 566725974 /nfs/dbraw/zinc/72/59/74/566725974.db2.gz QSAGLYAGQAYBDY-CQSZACIVSA-N 0 0 380.535 3.012 10 30 GGEERN C=CCCn1cc(CS(=O)(=O)Cc2cc(Cl)cc(Cl)c2F)nn1 ZINC000630447194 566730781 /nfs/dbraw/zinc/73/07/81/566730781.db2.gz VMIWTRQWOHPKHW-UHFFFAOYSA-N 0 0 378.256 3.415 10 30 GGEERN COc1cc(C(F)(F)F)cc(S(=O)(=O)N(CCC#N)CC(F)(F)F)c1 ZINC000450995753 566732184 /nfs/dbraw/zinc/73/21/84/566732184.db2.gz FQFTVIMZUPEYHH-UHFFFAOYSA-N 0 0 390.305 3.181 10 30 GGEERN C=CCn1c(S[C@H]2CCCNC2=O)nnc1-c1ccc(Br)cc1 ZINC000488507164 566732458 /nfs/dbraw/zinc/73/24/58/566732458.db2.gz PUAQULOFBOISIG-ZDUSSCGKSA-N 0 0 393.310 3.264 10 30 GGEERN N#Cc1ccnc([N-]S(=O)(=O)c2cc(Br)cc3cccnc32)c1 ZINC000580915011 566734352 /nfs/dbraw/zinc/73/43/52/566734352.db2.gz HSWWCFPDRMQSOA-UHFFFAOYSA-N 0 0 389.234 3.065 10 30 GGEERN COC(=O)[C@@H](NCc1ccc(C#N)c(OC)c1)c1cccc(Br)c1 ZINC000580925331 566734698 /nfs/dbraw/zinc/73/46/98/566734698.db2.gz RPMRTZTYOPZEPZ-KRWDZBQOSA-N 0 0 389.249 3.333 10 30 GGEERN COC(=O)[C@H](NCc1ccc(C#N)c(OC)c1)c1cccc(Br)c1 ZINC000580925340 566734757 /nfs/dbraw/zinc/73/47/57/566734757.db2.gz RPMRTZTYOPZEPZ-QGZVFWFLSA-N 0 0 389.249 3.333 10 30 GGEERN COc1cccc2c1OCC[C@H]2NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000608781538 566736647 /nfs/dbraw/zinc/73/66/47/566736647.db2.gz BNQKMRFYHFDFCO-OAHLLOKOSA-N 0 0 378.837 3.022 10 30 GGEERN C=CCCCN(C)C(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000426902699 566737396 /nfs/dbraw/zinc/73/73/96/566737396.db2.gz IHTMTMDVKMLEAZ-INIZCTEOSA-N 0 0 379.298 3.365 10 30 GGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCOc2cccc(Br)c2C1 ZINC000654554082 566741197 /nfs/dbraw/zinc/74/11/97/566741197.db2.gz RJBRTZJKDFHJCT-CXAGYDPISA-N 0 0 395.297 3.334 10 30 GGEERN C=CCN(C(=O)c1ccc(Br)cn1)c1nc(C(=O)OCC)cs1 ZINC000608939868 566742955 /nfs/dbraw/zinc/74/29/55/566742955.db2.gz DUZRACMSXNFMIM-UHFFFAOYSA-N 0 0 396.266 3.310 10 30 GGEERN C=CCN(C(=O)CSC[C@H]1CCCCO1)c1nc(C(=O)OCC)cs1 ZINC000608940337 566743613 /nfs/dbraw/zinc/74/36/13/566743613.db2.gz XRAJKENHTNUXGA-CYBMUJFWSA-N 0 0 384.523 3.141 10 30 GGEERN N#Cc1ccc(-c2nc(CS(=O)(=O)c3cc(Cl)ccc3Cl)no2)nc1 ZINC000561852107 566745075 /nfs/dbraw/zinc/74/50/75/566745075.db2.gz CEBPYQADKHTPQC-UHFFFAOYSA-N 0 0 395.227 3.284 10 30 GGEERN COc1cc([C@@H](C#N)NC(=O)c2coc(Br)c2)cc(OC)c1OC ZINC000609008229 566745999 /nfs/dbraw/zinc/74/59/99/566745999.db2.gz UVWGTLMUAHYXSG-LLVKDONJSA-N 0 0 395.209 3.063 10 30 GGEERN CCCCCS(=O)(=O)CC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 ZINC000609054458 566747719 /nfs/dbraw/zinc/74/77/19/566747719.db2.gz NNKDKGAKXQPQGX-UHFFFAOYSA-N 0 0 377.491 3.225 10 30 GGEERN C=CCN(Cc1ccccc1F)C(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000516144687 566749027 /nfs/dbraw/zinc/74/90/27/566749027.db2.gz PBYAUFZFYFUZBU-UHFFFAOYSA-N 0 0 381.856 3.468 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCCOc2cccc(Cl)c2Cl)ccc1F ZINC000609134348 566751068 /nfs/dbraw/zinc/75/10/68/566751068.db2.gz CFADKEVCYZRFOD-UHFFFAOYSA-N 0 0 389.235 3.361 10 30 GGEERN N#Cc1cc(S(=O)(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)ccc1F ZINC000609134516 566751317 /nfs/dbraw/zinc/75/13/17/566751317.db2.gz JJWTWPYWJXJSPK-GDBMZVCRSA-N 0 0 395.253 3.294 10 30 GGEERN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C[C@H](C)C#N)C1CC1 ZINC000468999293 566751597 /nfs/dbraw/zinc/75/15/97/566751597.db2.gz MWJKWOHJKGUFEJ-OLZOCXBDSA-N 0 0 386.901 3.066 10 30 GGEERN C=CCN(C(=O)c1cc2cccc(Cl)c2nc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000630797190 566752506 /nfs/dbraw/zinc/75/25/06/566752506.db2.gz UBUWNVMGBLVVJQ-CQSZACIVSA-N 0 0 378.881 3.012 10 30 GGEERN C=CCN(C(=O)Cc1cc(Cl)cc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000630797656 566753209 /nfs/dbraw/zinc/75/32/09/566753209.db2.gz XDIQJZKEUZLFKF-QGZVFWFLSA-N 0 0 377.893 3.237 10 30 GGEERN N#Cc1cc(S(=O)(=O)NC2(c3ccc(Br)cc3)CC2)ccc1F ZINC000488858585 566754636 /nfs/dbraw/zinc/75/46/36/566754636.db2.gz ULAANJVPLXXASP-UHFFFAOYSA-N 0 0 395.253 3.427 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)c2cc(Br)cnc2OCC2CC2)C1 ZINC000581172998 566756015 /nfs/dbraw/zinc/75/60/15/566756015.db2.gz RIPVHRUYXZZKAC-FZMZJTMJSA-N 0 0 378.270 3.445 10 30 GGEERN CCN(CC)[C@@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)c1ccsc1 ZINC000488884603 566755993 /nfs/dbraw/zinc/75/59/93/566755993.db2.gz KBCLYNOFMVDDSY-KRWDZBQOSA-N 0 0 381.498 3.120 10 30 GGEERN C[C@H](c1ccc(Br)cc1)N1CCN(c2ccc(C#N)c(N)n2)CC1 ZINC000516312405 566758618 /nfs/dbraw/zinc/75/86/18/566758618.db2.gz FDLIZPZSDOLUQS-CYBMUJFWSA-N 0 0 386.297 3.181 10 30 GGEERN N#CC1(CS(=O)(=O)N2CCC(c3nc4c(s3)CCCC4)CC2)CCC1 ZINC000581246877 566760595 /nfs/dbraw/zinc/76/05/95/566760595.db2.gz SCUCOEJUSOMCMI-UHFFFAOYSA-N 0 0 379.551 3.225 10 30 GGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1[nH]nc(CC)c1Br ZINC000469100541 566761713 /nfs/dbraw/zinc/76/17/13/566761713.db2.gz TZQLXNQDDNPJTB-UHFFFAOYSA-N 0 0 393.241 3.471 10 30 GGEERN Cc1ncc(S(=O)(=O)Nc2cc(F)cc(F)c2Br)cc1C#N ZINC000427325383 566766276 /nfs/dbraw/zinc/76/62/76/566766276.db2.gz VQKGTRYTMHGHCF-UHFFFAOYSA-N 0 0 388.193 3.103 10 30 GGEERN N#C[C@@H](NC(=O)C[C@@H]1C(=O)Nc2ccccc21)c1ccc(Br)cc1 ZINC000609588601 566771144 /nfs/dbraw/zinc/77/11/44/566771144.db2.gz DJDIBAXDVLMVMQ-GOEBONIOSA-N 0 0 384.233 3.256 10 30 GGEERN Cc1cc(Br)ccc1N(C)S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000489115413 566771309 /nfs/dbraw/zinc/77/13/09/566771309.db2.gz LFEQDFZDXHQZRG-UHFFFAOYSA-N 0 0 380.267 3.158 10 30 GGEERN C[S@](=O)c1ccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc1 ZINC000609588718 566771450 /nfs/dbraw/zinc/77/14/50/566771450.db2.gz HBPRWCZTGTYWSN-NYHFZMIOSA-N 0 0 377.263 3.181 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(Cl)c1S(=O)(=O)C(C)C ZINC000581377483 566771675 /nfs/dbraw/zinc/77/16/75/566771675.db2.gz FCVFJMHYQYMBQY-WFASDCNBSA-N 0 0 386.901 3.235 10 30 GGEERN CCC(=O)c1cccc(C#N)c1OCc1ccc(S(=O)(=O)N(C)C)s1 ZINC000631025779 566772344 /nfs/dbraw/zinc/77/23/44/566772344.db2.gz DCWTUJMDPVEBKH-UHFFFAOYSA-N 0 0 378.475 3.042 10 30 GGEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C#N)c1ccccc1Br ZINC000609590019 566772741 /nfs/dbraw/zinc/77/27/41/566772741.db2.gz AILZKKLMXQXWER-LRDDRELGSA-N 0 0 384.233 3.469 10 30 GGEERN N#C[C@@H](NC(=O)c1ccc(-c2ncon2)cc1)c1ccccc1Br ZINC000609589636 566772879 /nfs/dbraw/zinc/77/28/79/566772879.db2.gz 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ZINC000581990570 566820310 /nfs/dbraw/zinc/82/03/10/566820310.db2.gz YOWQQUJZSNIWTC-UHFFFAOYSA-N 0 0 384.301 3.292 10 30 GGEERN C[C@H](NC(=O)c1ccc(C#N)o1)c1cc2c(cc1Br)OCCO2 ZINC000428142296 566820569 /nfs/dbraw/zinc/82/05/69/566820569.db2.gz RXJMLHRYGBPBBR-VIFPVBQESA-N 0 0 377.194 3.176 10 30 GGEERN COc1ccc(CN(C)S(=O)(=O)Cc2ccc(CC#N)cc2)cc1Cl ZINC000517364678 566822876 /nfs/dbraw/zinc/82/28/76/566822876.db2.gz XAZCJAKQAFWCBW-UHFFFAOYSA-N 0 0 378.881 3.376 10 30 GGEERN C=CCn1c(-c2ccc(Br)s2)nnc1N(C[C@H](C)O)C1CC1 ZINC000655616053 566823065 /nfs/dbraw/zinc/82/30/65/566823065.db2.gz VNPSZNFPZINPND-JTQLQIEISA-N 0 0 383.315 3.305 10 30 GGEERN N#Cc1ccc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)o1 ZINC000428181332 566823632 /nfs/dbraw/zinc/82/36/32/566823632.db2.gz GJWQZJDQCWGHKV-UHFFFAOYSA-N 0 0 378.215 3.056 10 30 GGEERN C[C@H]1CC2(CCC2)CN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451468911 566823836 /nfs/dbraw/zinc/82/38/36/566823836.db2.gz VITDKQBGXZODCS-JTQLQIEISA-N 0 0 387.274 3.413 10 30 GGEERN COc1ccc(Br)cc1S(=O)(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000610338563 566825493 /nfs/dbraw/zinc/82/54/93/566825493.db2.gz GVWLBUBREHUOEV-NSHDSACASA-N 0 0 395.278 3.369 10 30 GGEERN O=S(=O)(C[C@H]1CCC1(F)F)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000631786019 566825770 /nfs/dbraw/zinc/82/57/70/566825770.db2.gz URENIVAMCAFWJO-HLTSFMKQSA-N 0 0 389.308 3.424 10 30 GGEERN COc1cc(Br)ccc1CNC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000490020860 566826226 /nfs/dbraw/zinc/82/62/26/566826226.db2.gz NQQPHWJIZPZSKO-LBPRGKRZSA-N 0 0 389.249 3.413 10 30 GGEERN C[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000490067205 566829540 /nfs/dbraw/zinc/82/95/40/566829540.db2.gz XCJABSAWWSOVTF-JTQLQIEISA-N 0 0 389.424 3.158 10 30 GGEERN C=CCN(CCC#N)S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000490093109 566830808 /nfs/dbraw/zinc/83/08/08/566830808.db2.gz SAWVJEAXRCQGDU-UHFFFAOYSA-N 0 0 380.267 3.088 10 30 GGEERN N#CCc1cccc(C(=O)Nc2cc(I)ccc2O)c1 ZINC000610485636 566833735 /nfs/dbraw/zinc/83/37/35/566833735.db2.gz 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/nfs/dbraw/zinc/09/45/70/567094570.db2.gz CFDSKHGBRVMVEE-UHFFFAOYSA-N 0 0 395.278 3.116 10 30 GGEERN CCS(=O)(=O)CCCCCOc1c(Br)cc(C#N)cc1OC ZINC000473660173 567094999 /nfs/dbraw/zinc/09/49/99/567094999.db2.gz CITRENQUYYLFSF-UHFFFAOYSA-N 0 0 390.299 3.313 10 30 GGEERN N#Cc1cc(CN(CCn2ccnc2)Cc2ccc(Br)o2)ccn1 ZINC000586774843 567095746 /nfs/dbraw/zinc/09/57/46/567095746.db2.gz NVWPPKUISXCZIV-UHFFFAOYSA-N 0 0 386.253 3.208 10 30 GGEERN N#C[C@@H](NC(=O)CCc1cccc2c1OCO2)c1ccc(Br)cc1 ZINC000473672393 567096605 /nfs/dbraw/zinc/09/66/05/567096605.db2.gz BAFMGSIJCLCDRP-OAHLLOKOSA-N 0 0 387.233 3.491 10 30 GGEERN C=C[C@@H](C)NC(=O)c1cc(Br)cc(I)c1 ZINC000586796476 567096853 /nfs/dbraw/zinc/09/68/53/567096853.db2.gz DPYJVQGIHWTQLB-SSDOTTSWSA-N 0 0 380.023 3.358 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000614254172 567098761 /nfs/dbraw/zinc/09/87/61/567098761.db2.gz QKVODCVQYPBEKD-APHBMKBZSA-N 0 0 383.261 3.031 10 30 GGEERN N#Cc1ccc(N2CCN(CCOc3c(Cl)cccc3Cl)CC2)nc1 ZINC000497484039 567101952 /nfs/dbraw/zinc/10/19/52/567101952.db2.gz AKFCZWUTWKOVPK-UHFFFAOYSA-N 0 0 377.275 3.461 10 30 GGEERN N#CC1(CS(=O)(=O)NCCOc2ccccc2C(F)(F)F)CCCC1 ZINC000546071172 567102374 /nfs/dbraw/zinc/10/23/74/567102374.db2.gz QJRBAJUUAQGDBD-UHFFFAOYSA-N 0 0 376.400 3.088 10 30 GGEERN Cn1c2ccc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)cc2[nH]c1=O ZINC000522202289 567104659 /nfs/dbraw/zinc/10/46/59/567104659.db2.gz QSIOWXBDCOCHNH-CQSZACIVSA-N 0 0 385.221 3.036 10 30 GGEERN N#CC1(CS(=O)(=O)NCCc2cc(Br)ccc2F)CCCC1 ZINC000546092997 567105025 /nfs/dbraw/zinc/10/50/25/567105025.db2.gz MUIZRBRRLPSOLA-UHFFFAOYSA-N 0 0 389.290 3.134 10 30 GGEERN N#C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(Br)cc1 ZINC000522202316 567105014 /nfs/dbraw/zinc/10/50/14/567105014.db2.gz WBGZRXMNJMEIRV-YOEHRIQHSA-N 0 0 398.260 3.183 10 30 GGEERN N#CC1(CS(=O)(=O)NCCc2ccc(OC(F)(F)F)cc2)CCCC1 ZINC000546093157 567105234 /nfs/dbraw/zinc/10/52/34/567105234.db2.gz QXXQHFRFSBJPKS-UHFFFAOYSA-N 0 0 376.400 3.131 10 30 GGEERN COc1cccc(COCC(=O)N[C@@H](C#N)c2ccc(Br)cc2)c1 ZINC000522201480 567105675 /nfs/dbraw/zinc/10/56/75/567105675.db2.gz ADXBHJRFNSZBFE-KRWDZBQOSA-N 0 0 389.249 3.355 10 30 GGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000614372282 567106294 /nfs/dbraw/zinc/10/62/94/567106294.db2.gz HRMSMFIRLYIJTK-YYQUZTFQSA-N 0 0 395.297 3.019 10 30 GGEERN CCn1nc2c(cc1=O)CN(c1c(Br)cc(Cl)cc1C#N)CC2 ZINC000587988583 567106367 /nfs/dbraw/zinc/10/63/67/567106367.db2.gz QQPIEIMOGWVBEH-UHFFFAOYSA-N 0 0 393.672 3.113 10 30 GGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000614372278 567107010 /nfs/dbraw/zinc/10/70/10/567107010.db2.gz HRMSMFIRLYIJTK-VZEFYGNVSA-N 0 0 395.297 3.019 10 30 GGEERN Cc1nccc(N2CCN(c3c(Br)cc(Cl)cc3C#N)CC2)n1 ZINC000588017390 567107833 /nfs/dbraw/zinc/10/78/33/567107833.db2.gz WMJXPPNDRJIFRD-UHFFFAOYSA-N 0 0 392.688 3.399 10 30 GGEERN C=CCN(CC(F)(F)F)C(=O)c1oc2ccccc2c1CS(C)(=O)=O ZINC000588032835 567109524 /nfs/dbraw/zinc/10/95/24/567109524.db2.gz NSDIYMIVCGVYNI-UHFFFAOYSA-N 0 0 375.368 3.168 10 30 GGEERN N#CC1CCC(CNC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CC1 ZINC000453776806 567111134 /nfs/dbraw/zinc/11/11/34/567111134.db2.gz NYRHZFRQSNFJMN-UHFFFAOYSA-N 0 0 398.688 3.487 10 30 GGEERN CO[C@H]1C[C@@H](CN(C)c2c(C#N)cnc3c(Br)cccc32)[N@H+](C)C1 ZINC000588057137 567111311 /nfs/dbraw/zinc/11/13/11/567111311.db2.gz RNBLLNDVSZGXAW-KBPBESRZSA-N 0 0 389.297 3.024 10 30 GGEERN CC(C)(CNS(=O)(=O)c1cccc(Br)c1C#N)C(F)(F)F ZINC000588132710 567115904 /nfs/dbraw/zinc/11/59/04/567115904.db2.gz FPTHSUWTMLVNBI-UHFFFAOYSA-N 0 0 385.205 3.188 10 30 GGEERN C=CCOc1ccccc1CNC(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000431924754 567116817 /nfs/dbraw/zinc/11/68/17/567116817.db2.gz LERMAUBSNXOOJR-GFCCVEGCSA-N 0 0 391.269 3.364 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)C1 ZINC000453856506 567119511 /nfs/dbraw/zinc/11/95/11/567119511.db2.gz IOCHJRAZUUQBGR-UWVGGRQHSA-N 0 0 384.661 3.240 10 30 GGEERN N#CCC1(CNC(=O)Nc2cc(F)c(I)c(F)c2)CC1 ZINC000432010490 567123374 /nfs/dbraw/zinc/12/33/74/567123374.db2.gz DEJHOKHVPQEAJQ-UHFFFAOYSA-N 0 0 391.159 3.385 10 30 GGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(Br)c(C)n1 ZINC000658135829 567123743 /nfs/dbraw/zinc/12/37/43/567123743.db2.gz BBTBFUXASUAUBS-OCCSQVGLSA-N 0 0 380.286 3.342 10 30 GGEERN N#Cc1ccc(NC(=O)C(=O)NCC2CCCCCC2)cc1Br ZINC000453900937 567124468 /nfs/dbraw/zinc/12/44/68/567124468.db2.gz ONWKYMLGFDDARC-UHFFFAOYSA-N 0 0 378.270 3.346 10 30 GGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(C)c(Br)cn1 ZINC000658138339 567124636 /nfs/dbraw/zinc/12/46/36/567124636.db2.gz JFPNVLZBVGSCQP-OCCSQVGLSA-N 0 0 380.286 3.342 10 30 GGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000658141588 567124957 /nfs/dbraw/zinc/12/49/57/567124957.db2.gz SMKWAYDVEJBQKZ-CMPLNLGQSA-N 0 0 375.416 3.438 10 30 GGEERN CC(C)(C)OC(=O)C1(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)CCCC1 ZINC000522754088 567128855 /nfs/dbraw/zinc/12/88/55/567128855.db2.gz MUTHBKVCDGGKBC-UHFFFAOYSA-N 0 0 384.885 3.144 10 30 GGEERN CN(CC(=O)Nc1ccccc1Br)C(=O)c1cscc1C#N ZINC000432080451 567131034 /nfs/dbraw/zinc/13/10/34/567131034.db2.gz VARBRNGPFSUQTE-UHFFFAOYSA-N 0 0 378.251 3.093 10 30 GGEERN C[C@H](CNS(=O)(=O)Cc1ccc(CC#N)cc1)Oc1ccccc1Cl ZINC000566161738 567131642 /nfs/dbraw/zinc/13/16/42/567131642.db2.gz QNEZINMOUBAXSW-CQSZACIVSA-N 0 0 378.881 3.293 10 30 GGEERN C[C@@H](CNS(=O)(=O)Cc1ccc(CC#N)cc1)Oc1ccccc1Cl ZINC000566161737 567132287 /nfs/dbraw/zinc/13/22/87/567132287.db2.gz QNEZINMOUBAXSW-AWEZNQCLSA-N 0 0 378.881 3.293 10 30 GGEERN N#Cc1cc(Br)cc(S(=O)(=O)N2CCc3c2c(F)ccc3F)c1 ZINC000432257331 567141086 /nfs/dbraw/zinc/14/10/86/567141086.db2.gz JSVRPDKCPCQRFD-UHFFFAOYSA-N 0 0 399.216 3.350 10 30 GGEERN C=CC[C@@H]1CCCN(C(=O)C(=O)Nc2nc(-c3sccc3C)ns2)C1 ZINC000658435962 567143393 /nfs/dbraw/zinc/14/33/93/567143393.db2.gz UOYXKSVBYXYJSF-GFCCVEGCSA-N 0 0 376.507 3.328 10 30 GGEERN COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000432288809 567145557 /nfs/dbraw/zinc/14/55/57/567145557.db2.gz IGWUASBSVXOUHN-HNNXBMFYSA-N 0 0 376.865 3.398 10 30 GGEERN COC(=O)c1cc(NC(=O)c2cc(O)cc(C#N)c2)ccc1Br ZINC000614882697 567145655 /nfs/dbraw/zinc/14/56/55/567145655.db2.gz PYAOPKXMUOZCDG-UHFFFAOYSA-N 0 0 375.178 3.065 10 30 GGEERN N#Cc1c(Cl)cccc1S(=O)(=O)NCCc1cccc(C(F)(F)F)n1 ZINC000432308053 567148700 /nfs/dbraw/zinc/14/87/00/567148700.db2.gz QDYUWUAVJNEGOY-UHFFFAOYSA-N 0 0 389.786 3.146 10 30 GGEERN C=CCOCCCNC(=O)C(=O)Nc1cc(Cl)c(OCC)c(Cl)c1 ZINC000658613322 567149359 /nfs/dbraw/zinc/14/93/59/567149359.db2.gz ADYMSGSAWPRBRY-UHFFFAOYSA-N 0 0 375.252 3.040 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000614982017 567149888 /nfs/dbraw/zinc/14/98/88/567149888.db2.gz OVOCYDIOWCAFFB-MRXNPFEDSA-N 0 0 392.297 3.060 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000614982016 567150434 /nfs/dbraw/zinc/15/04/34/567150434.db2.gz OVOCYDIOWCAFFB-INIZCTEOSA-N 0 0 392.297 3.060 10 30 GGEERN COc1cc2c(cc1C(=O)N[C@@H](C#N)c1cccc(Br)c1)OCO2 ZINC000546753832 567154621 /nfs/dbraw/zinc/15/46/21/567154621.db2.gz CJZAERGKIPQESP-ZDUSSCGKSA-N 0 0 389.205 3.181 10 30 GGEERN N#Cc1cscc1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000432383910 567156336 /nfs/dbraw/zinc/15/63/36/567156336.db2.gz BRQLHBUDVNTGNV-UHFFFAOYSA-N 0 0 378.251 3.141 10 30 GGEERN C=CC[C@H](CC)NS(=O)(=O)c1cc(Br)ccc1OCCOC ZINC000546766112 567156757 /nfs/dbraw/zinc/15/67/57/567156757.db2.gz QHMAALWUYPJRBG-ZDUSSCGKSA-N 0 0 392.315 3.107 10 30 GGEERN C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)c1 ZINC000615130448 567164365 /nfs/dbraw/zinc/16/43/65/567164365.db2.gz DXIIUSSFTLETQT-UHFFFAOYSA-N 0 0 399.299 3.388 10 30 GGEERN C=CCC1(C(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)CCOCC1 ZINC000615130021 567164521 /nfs/dbraw/zinc/16/45/21/567164521.db2.gz WZTHVBTWEHOTMJ-HNNXBMFYSA-N 0 0 395.297 3.197 10 30 GGEERN COC[C@@H](NS(=O)(=O)CC1(C#N)CCC1)c1cccc(C(F)(F)F)c1 ZINC000589221596 567166824 /nfs/dbraw/zinc/16/68/24/567166824.db2.gz HTQLEYUJRZOXLX-CQSZACIVSA-N 0 0 376.400 3.006 10 30 GGEERN C=CCn1c(SCc2ncc(Br)s2)nnc1-c1cnccn1 ZINC000432542106 567167093 /nfs/dbraw/zinc/16/70/93/567167093.db2.gz RJSMFCDFKSEGOV-UHFFFAOYSA-N 0 0 395.311 3.432 10 30 GGEERN N#CC1(CS(=O)(=O)NCC2(c3ccc(Br)cc3)CCC2)CCC1 ZINC000589218928 567167133 /nfs/dbraw/zinc/16/71/33/567167133.db2.gz KNWJWULAQSQDJL-UHFFFAOYSA-N 0 0 397.338 3.484 10 30 GGEERN C=CCOCCNC(=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000683992262 567167169 /nfs/dbraw/zinc/16/71/69/567167169.db2.gz PKSUNCQXBXFFFA-UHFFFAOYSA-N 0 0 382.302 3.238 10 30 GGEERN N#C[C@@H](NC(=O)c1ccc(I)c(O)c1)c1ccc(F)cc1 ZINC000546877150 567167211 /nfs/dbraw/zinc/16/72/11/567167211.db2.gz PBIZDWASXFZRLP-CYBMUJFWSA-N 0 0 396.159 3.131 10 30 GGEERN CN(C)c1cc(C#N)cc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c1 ZINC000432590140 567170699 /nfs/dbraw/zinc/17/06/99/567170699.db2.gz YFTSMZCEGSUHLO-KRWDZBQOSA-N 0 0 383.249 3.381 10 30 GGEERN C[C@H](NC(=O)NCCOc1ccc(C#N)cc1)c1ccc(Br)cn1 ZINC000474442774 567173474 /nfs/dbraw/zinc/17/34/74/567173474.db2.gz ZYFPCEVAFXJZLF-LBPRGKRZSA-N 0 0 389.253 3.155 10 30 GGEERN Cc1cc(Br)ccc1NC(=O)CCNCc1nc(C#N)cs1 ZINC000589311781 567174847 /nfs/dbraw/zinc/17/48/47/567174847.db2.gz ZGCRZERAXYRAPG-UHFFFAOYSA-N 0 0 379.283 3.204 10 30 GGEERN COc1ccc(CN2CCN(c3cccc(C#N)n3)CC2)cc1Br ZINC000546966792 567175490 /nfs/dbraw/zinc/17/54/90/567175490.db2.gz DHFNSSDOUDGMRS-UHFFFAOYSA-N 0 0 387.281 3.047 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000615289061 567177102 /nfs/dbraw/zinc/17/71/02/567177102.db2.gz DQVOJTBYNJGSAY-WMZOPIPTSA-N 0 0 393.325 3.311 10 30 GGEERN CCn1c(CNC(=O)c2cccc(C#N)n2)nc2cc(Br)ccc21 ZINC000589461139 567180130 /nfs/dbraw/zinc/18/01/30/567180130.db2.gz OSJJAJDRZGVMNX-UHFFFAOYSA-N 0 0 384.237 3.015 10 30 GGEERN COC(=O)c1c(F)ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1F ZINC000589559570 567182884 /nfs/dbraw/zinc/18/28/84/567182884.db2.gz QEXKOHBVDMCCIN-UHFFFAOYSA-N 0 0 386.763 3.077 10 30 GGEERN CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000432762395 567186587 /nfs/dbraw/zinc/18/65/87/567186587.db2.gz GECWSPUDVSHVNH-SNVBAGLBSA-N 0 0 390.241 3.392 10 30 GGEERN N#Cc1cnc(N2CCN(CCOc3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC000524233535 567188963 /nfs/dbraw/zinc/18/89/63/567188963.db2.gz HCGUIFZJTOTOLM-UHFFFAOYSA-N 0 0 377.275 3.461 10 30 GGEERN N#C[C@@H]1COCCN1C(=O)c1cc(Oc2cccc(Br)c2)ccn1 ZINC000474669446 567189547 /nfs/dbraw/zinc/18/95/47/567189547.db2.gz BAYNMLFDHFKCSJ-CYBMUJFWSA-N 0 0 388.221 3.001 10 30 GGEERN C=C(C)COc1cccc(NC(=O)NCc2nn(C)cc2Br)c1 ZINC000454664633 567193067 /nfs/dbraw/zinc/19/30/67/567193067.db2.gz GAKOMQHQIWOXFY-UHFFFAOYSA-N 0 0 379.258 3.459 10 30 GGEERN N#Cc1ccc(OCC(=O)Nc2nccc3cc(Br)ccc32)cc1 ZINC000589830216 567193679 /nfs/dbraw/zinc/19/36/79/567193679.db2.gz BHJKWWDPDAHRSE-UHFFFAOYSA-N 0 0 382.217 3.308 10 30 GGEERN Cc1cc(C(=O)N2CC[C@](F)(C#N)C2)nn1-c1ccc(Br)cc1 ZINC000615663300 567197759 /nfs/dbraw/zinc/19/77/59/567197759.db2.gz DCBDNHKKKHAURU-INIZCTEOSA-N 0 0 377.217 3.021 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCc3cc(Br)c(Cl)cc32)cn1 ZINC000615681942 567200041 /nfs/dbraw/zinc/20/00/41/567200041.db2.gz CSRKRDSRJHIPIA-UHFFFAOYSA-N 0 0 398.669 3.121 10 30 GGEERN N#CCCCCS(=O)(=O)N1CCc2cc(Br)c(Cl)cc21 ZINC000615754400 567203056 /nfs/dbraw/zinc/20/30/56/567203056.db2.gz VPLYETGMSCGLLZ-UHFFFAOYSA-N 0 0 377.691 3.489 10 30 GGEERN N#CC1(CS(=O)(=O)N2CCc3cc(Br)c(Cl)cc32)CC1 ZINC000615754401 567204009 /nfs/dbraw/zinc/20/40/09/567204009.db2.gz VSTLIZKUTRKNOA-UHFFFAOYSA-N 0 0 375.675 3.099 10 30 GGEERN COc1cc(C#N)ccc1NC(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000547417696 567207123 /nfs/dbraw/zinc/20/71/23/567207123.db2.gz VHJIKGDLADICBC-HNNXBMFYSA-N 0 0 390.237 3.184 10 30 GGEERN CCN(C[C@@H](C)C#N)C(=O)CN1CCc2cc(Br)c(Cl)cc21 ZINC000615809152 567207290 /nfs/dbraw/zinc/20/72/90/567207290.db2.gz YWUXZZPVZQSYDR-NSHDSACASA-N 0 0 384.705 3.473 10 30 GGEERN Cn1cc(C#N)cc1C(=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000432952758 567207447 /nfs/dbraw/zinc/20/74/47/567207447.db2.gz ZRJSOJUMODIOLG-UHFFFAOYSA-N 0 0 387.281 3.376 10 30 GGEERN N#CCCN(CCC#N)C(=O)CN1CCc2cc(Br)c(Cl)cc21 ZINC000615809121 567207468 /nfs/dbraw/zinc/20/74/68/567207468.db2.gz YGURROXQBUTJHX-UHFFFAOYSA-N 0 0 395.688 3.121 10 30 GGEERN COc1ccc(Br)cc1CC(=O)Nc1cc(C)nn1CCC#N ZINC000524667563 567208131 /nfs/dbraw/zinc/20/81/31/567208131.db2.gz HBSJMMVKCZCCNL-UHFFFAOYSA-N 0 0 377.242 3.058 10 30 GGEERN C[C@H](NC(=O)N[C@H]1CCc2cc(C#N)ccc21)c1ncc(Br)cn1 ZINC000590099570 567208459 /nfs/dbraw/zinc/20/84/59/567208459.db2.gz LCZQHIBICYMCRT-BONVTDFDSA-N 0 0 386.253 3.158 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 ZINC000498887327 567208746 /nfs/dbraw/zinc/20/87/46/567208746.db2.gz CKCDRIKOFDGUGE-UHFFFAOYSA-N 0 0 381.233 3.489 10 30 GGEERN COc1cc(CCNS(=O)(=O)Cc2ccc(C#N)cc2F)ccc1Cl ZINC000590175874 567210746 /nfs/dbraw/zinc/21/07/46/567210746.db2.gz ZWVMGHMHJYBECM-UHFFFAOYSA-N 0 0 382.844 3.021 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCc2c1ccc(F)c2Br ZINC000615871691 567212662 /nfs/dbraw/zinc/21/26/62/567212662.db2.gz NNVZCQKAYNDPSO-LSDHHAIUSA-N 0 0 383.261 3.163 10 30 GGEERN N#Cc1cc(NC(=O)C(=O)N2C3CCCC2CCC3)ccc1Br ZINC000590229317 567214999 /nfs/dbraw/zinc/21/49/99/567214999.db2.gz AODFJRPCHQHGTK-UHFFFAOYSA-N 0 0 376.254 3.193 10 30 GGEERN C[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1ncc(Br)cn1 ZINC000433005968 567215491 /nfs/dbraw/zinc/21/54/91/567215491.db2.gz DZYHRFAFKZBWKG-SECBINFHSA-N 0 0 394.660 3.053 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NC/C=C/c2ccccc2)cc1Br ZINC000433009112 567216076 /nfs/dbraw/zinc/21/60/76/567216076.db2.gz GGXSRBXIZNLANJ-QPJJXVBHSA-N 0 0 377.263 3.312 10 30 GGEERN CC(C)(C)c1csc(NC(=O)C(=O)NCc2ccc(Cl)cn2)c1C#N ZINC000590238919 567216155 /nfs/dbraw/zinc/21/61/55/567216155.db2.gz NHKSNAXTHXCLDJ-UHFFFAOYSA-N 0 0 376.869 3.221 10 30 GGEERN COc1ccc(Cc2noc(CC3(C#N)CC3)n2)c(Br)c1OC ZINC000590267542 567217750 /nfs/dbraw/zinc/21/77/50/567217750.db2.gz NGRGHWJCLQOPKH-UHFFFAOYSA-N 0 0 378.226 3.286 10 30 GGEERN C[C@@H](CCc1ccc(I)cc1)NC(=O)CC1(C#N)CC1 ZINC000590357245 567220906 /nfs/dbraw/zinc/22/09/06/567220906.db2.gz XNTVWJBQXKTZBK-LBPRGKRZSA-N 0 0 382.245 3.422 10 30 GGEERN N#CC1(CC(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)CC1 ZINC000590355231 567221218 /nfs/dbraw/zinc/22/12/18/567221218.db2.gz MDCFIROKXPIRLG-UHFFFAOYSA-N 0 0 376.254 3.317 10 30 GGEERN Cc1csc([C@H](C)NS(=O)(=O)c2ccc(C#N)c(Br)c2)n1 ZINC000433098786 567222076 /nfs/dbraw/zinc/22/20/76/567222076.db2.gz XMDFXGIDIODCBQ-VIFPVBQESA-N 0 0 386.296 3.125 10 30 GGEERN C[C@@H](NC(=O)CC1(C#N)CC1)c1ccc(Br)cc1OCCCO ZINC000590404126 567224033 /nfs/dbraw/zinc/22/40/33/567224033.db2.gz VORXHBZYWMDXGW-GFCCVEGCSA-N 0 0 381.270 3.081 10 30 GGEERN CCO[C@@H]1C[C@@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)[C@H]1n1cccn1 ZINC000590534841 567230896 /nfs/dbraw/zinc/23/08/96/567230896.db2.gz QUWFYTLVPSZXTI-IIAWOOMASA-N 0 0 379.247 3.210 10 30 GGEERN C[C@H](CCc1ccc(Br)cc1)NS(=O)(=O)CC1(C#N)CCC1 ZINC000616175581 567230865 /nfs/dbraw/zinc/23/08/65/567230865.db2.gz YLMQVNKABXPBTK-CYBMUJFWSA-N 0 0 385.327 3.383 10 30 GGEERN N#Cc1c(F)cc(CNC(=O)COc2cccc(Br)c2)cc1F ZINC000567254665 567231528 /nfs/dbraw/zinc/23/15/28/567231528.db2.gz NCKOJOQWLHUUCS-UHFFFAOYSA-N 0 0 381.176 3.294 10 30 GGEERN Cc1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)c(C)c1Br ZINC000616204013 567232898 /nfs/dbraw/zinc/23/28/98/567232898.db2.gz KTBQGXBKDOZORO-UHFFFAOYSA-N 0 0 399.292 3.295 10 30 GGEERN N#C[C@@]1(C(=O)Nc2cc(I)ccc2O)CC12CCCC2 ZINC000590666601 567237590 /nfs/dbraw/zinc/23/75/90/567237590.db2.gz BZARSZYBHGLFGY-OAHLLOKOSA-N 0 0 382.201 3.409 10 30 GGEERN CC(=O)NCc1ccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1 ZINC000499395888 567243815 /nfs/dbraw/zinc/24/38/15/567243815.db2.gz YZUNXISOWZVDMZ-QGZVFWFLSA-N 0 0 386.249 3.080 10 30 GGEERN C[C@H](NC(=O)c1cccs1)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000499391406 567243823 /nfs/dbraw/zinc/24/38/23/567243823.db2.gz WPYXJLNFSLQRPP-GWCFXTLKSA-N 0 0 392.278 3.010 10 30 GGEERN C[C@H](NC(=O)c1cccs1)C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000499391407 567243891 /nfs/dbraw/zinc/24/38/91/567243891.db2.gz WPYXJLNFSLQRPP-GXFFZTMASA-N 0 0 392.278 3.010 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)N2CCS[C@H](c3ccccc3)C2)c(F)c1 ZINC000616417979 567244194 /nfs/dbraw/zinc/24/41/94/567244194.db2.gz HCIFCZIYDSFIAP-SFHVURJKSA-N 0 0 376.478 3.317 10 30 GGEERN Cc1nn(CC(=O)N[C@H](C#N)c2ccc(Br)cc2)c(C)c1Cl ZINC000499391774 567244191 /nfs/dbraw/zinc/24/41/91/567244191.db2.gz MYGKLWHBYYSYCY-CYBMUJFWSA-N 0 0 381.661 3.297 10 30 GGEERN C[C@@H](NC(=O)c1cccs1)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000499391408 567244200 /nfs/dbraw/zinc/24/42/00/567244200.db2.gz WPYXJLNFSLQRPP-MFKMUULPSA-N 0 0 392.278 3.010 10 30 GGEERN Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000499405075 567244877 /nfs/dbraw/zinc/24/48/77/567244877.db2.gz LTRWEGHIIOXKDM-BMIGLBTASA-N 0 0 375.270 3.284 10 30 GGEERN C[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000499408636 567244910 /nfs/dbraw/zinc/24/49/10/567244910.db2.gz QDOBEBUOELAEJR-LRDDRELGSA-N 0 0 392.297 3.215 10 30 GGEERN CC(=O)NCc1ccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)s1 ZINC000499408318 567244970 /nfs/dbraw/zinc/24/49/70/567244970.db2.gz OYRPCWFCYYOWED-AWEZNQCLSA-N 0 0 392.278 3.141 10 30 GGEERN CC(C)(C)c1noc(CCC(=O)N[C@@H](C#N)c2ccc(Br)cc2)n1 ZINC000499405880 567245074 /nfs/dbraw/zinc/24/50/74/567245074.db2.gz HDELZENLHXGIPE-ZDUSSCGKSA-N 0 0 391.269 3.443 10 30 GGEERN CC(=O)c1cccc(OCC(=O)N[C@H](C#N)c2ccc(Br)cc2)c1 ZINC000499408896 567245088 /nfs/dbraw/zinc/24/50/88/567245088.db2.gz REXWMGOAZYPJIL-QGZVFWFLSA-N 0 0 387.233 3.412 10 30 GGEERN Cc1ccc(-n2cc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)nn2)cc1 ZINC000499408844 567245125 /nfs/dbraw/zinc/24/51/25/567245125.db2.gz RJZBEXAJMZTBJD-MRXNPFEDSA-N 0 0 396.248 3.333 10 30 GGEERN N#C[C@H](NC(=O)COc1ccc(F)cc1F)c1ccc(Br)cc1 ZINC000499410793 567245174 /nfs/dbraw/zinc/24/51/74/567245174.db2.gz DUSZOMQSCUIYLP-AWEZNQCLSA-N 0 0 381.176 3.487 10 30 GGEERN C[C@H](NC(=O)C1CCCCC1)C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000499408635 567245263 /nfs/dbraw/zinc/24/52/63/567245263.db2.gz QDOBEBUOELAEJR-BLLLJJGKSA-N 0 0 392.297 3.215 10 30 GGEERN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000499406791 567245296 /nfs/dbraw/zinc/24/52/96/567245296.db2.gz LRJWQBHFGXWHMO-SJCJKPOMSA-N 0 0 384.233 3.469 10 30 GGEERN N#C[C@H](NC(=O)c1cn(Cc2ccccc2)nn1)c1ccc(Br)cc1 ZINC000499412345 567245392 /nfs/dbraw/zinc/24/53/92/567245392.db2.gz INTHHKONWSWVDR-INIZCTEOSA-N 0 0 396.248 3.084 10 30 GGEERN Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000499405080 567245417 /nfs/dbraw/zinc/24/54/17/567245417.db2.gz LTRWEGHIIOXKDM-ZUZCIYMTSA-N 0 0 375.270 3.284 10 30 GGEERN N#C[C@@H](NC(=O)c1cc(-c2ccncc2)on1)c1ccc(Br)cc1 ZINC000499409130 567245727 /nfs/dbraw/zinc/24/57/27/567245727.db2.gz SSVSNQTXIWUWJJ-OAHLLOKOSA-N 0 0 383.205 3.494 10 30 GGEERN CO[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)c1ccccc1Cl ZINC000616425543 567245899 /nfs/dbraw/zinc/24/58/99/567245899.db2.gz MOALPWUGYXKIIP-QGZVFWFLSA-N 0 0 382.844 3.158 10 30 GGEERN N#C[C@@H](NC(=O)CCNC(=O)C1CCCCC1)c1ccc(Br)cc1 ZINC000499418152 567246351 /nfs/dbraw/zinc/24/63/51/567246351.db2.gz IXPQJXBRVQJJCT-MRXNPFEDSA-N 0 0 392.297 3.217 10 30 GGEERN Cc1nn(C)c2ncc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)cc12 ZINC000499413402 567246459 /nfs/dbraw/zinc/24/64/59/567246459.db2.gz UGJUWSLZKOCIFY-OAHLLOKOSA-N 0 0 384.237 3.034 10 30 GGEERN N#C[C@H](NC(=O)CCNC(=O)C1CCCCC1)c1ccc(Br)cc1 ZINC000499418151 567246865 /nfs/dbraw/zinc/24/68/65/567246865.db2.gz IXPQJXBRVQJJCT-INIZCTEOSA-N 0 0 392.297 3.217 10 30 GGEERN COc1ccc(OCC(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1 ZINC000499415697 567246904 /nfs/dbraw/zinc/24/69/04/567246904.db2.gz CQELHIGUDURCDH-MRXNPFEDSA-N 0 0 375.222 3.218 10 30 GGEERN CC(=O)N1CCc2cc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)ccc21 ZINC000499412469 567247225 /nfs/dbraw/zinc/24/72/25/567247225.db2.gz PKRWVGBWVJLPCZ-QGZVFWFLSA-N 0 0 398.260 3.353 10 30 GGEERN Cc1nn(C)c(CN2CCC(Oc3ccc(C#N)cc3)CC2)c1Br ZINC000475422716 567247375 /nfs/dbraw/zinc/24/73/75/567247375.db2.gz KJPHRTPJNPVNPI-UHFFFAOYSA-N 0 0 389.297 3.406 10 30 GGEERN N#C[C@H](NC(=O)Cn1ccc(=O)c2ccccc21)c1ccc(Br)cc1 ZINC000499429306 567247994 /nfs/dbraw/zinc/24/79/94/567247994.db2.gz CHBOPTDDRMQPBN-INIZCTEOSA-N 0 0 396.244 3.145 10 30 GGEERN N#C[C@@H](NC(=O)CSC[C@H]1CCCCO1)c1ccc(Br)cc1 ZINC000499431466 567248355 /nfs/dbraw/zinc/24/83/55/567248355.db2.gz GFLXHFQRIDVJPG-HUUCEWRRSA-N 0 0 383.311 3.432 10 30 GGEERN N#C[C@H](NC(=O)CCNC(=O)c1cccs1)c1ccc(Br)cc1 ZINC000499444626 567249840 /nfs/dbraw/zinc/24/98/40/567249840.db2.gz OQNHCPLUJWWEHR-ZDUSSCGKSA-N 0 0 392.278 3.012 10 30 GGEERN Cc1cccc(-n2cc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)nn2)c1 ZINC000499443537 567250071 /nfs/dbraw/zinc/25/00/71/567250071.db2.gz MBZGAGRPSXGKNQ-INIZCTEOSA-N 0 0 396.248 3.333 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)Cc1cc(Br)ccc1F ZINC000567495219 567251504 /nfs/dbraw/zinc/25/15/04/567251504.db2.gz HHCHOTBIYNLKMB-WQGACYEGSA-N 0 0 385.277 3.410 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)Cc1cc(Br)ccc1F ZINC000567495218 567251674 /nfs/dbraw/zinc/25/16/74/567251674.db2.gz HHCHOTBIYNLKMB-MKBNYLNASA-N 0 0 385.277 3.410 10 30 GGEERN COC(=O)CCN(Cc1cccc(Br)c1)Cc1ccnc(C#N)c1 ZINC000616794149 567257298 /nfs/dbraw/zinc/25/72/98/567257298.db2.gz JHOLCGGHJLDIOT-UHFFFAOYSA-N 0 0 388.265 3.281 10 30 GGEERN C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1ccc(Br)cc1C#N ZINC000590993028 567259250 /nfs/dbraw/zinc/25/92/50/567259250.db2.gz KIQDTTNDWHISQF-UFBFGSQYSA-N 0 0 377.160 3.113 10 30 GGEERN N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000499647391 567262920 /nfs/dbraw/zinc/26/29/20/567262920.db2.gz LKNOKOITFWRRGP-CQSZACIVSA-N 0 0 393.262 3.123 10 30 GGEERN CCN(C[C@@H](O)C(F)(F)F)C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000433637140 567263445 /nfs/dbraw/zinc/26/34/45/567263445.db2.gz OCBNPWSYAFHZJC-MNOVXSKESA-N 0 0 376.272 3.226 10 30 GGEERN CN(CCNC(=O)N[C@H](c1cc(F)ccc1F)C(F)F)CC(F)(F)F ZINC000433652006 567264902 /nfs/dbraw/zinc/26/49/02/567264902.db2.gz WYGKGTYSCPAJLQ-LLVKDONJSA-N 0 0 375.288 3.064 10 30 GGEERN Cn1cc(Br)c(CNC(=O)N[C@H](CCCC#N)c2ccccc2)n1 ZINC000455369712 567265227 /nfs/dbraw/zinc/26/52/27/567265227.db2.gz FXHPMIDYQOCNCB-OAHLLOKOSA-N 0 0 390.285 3.417 10 30 GGEERN O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCO[C@H](CC(F)(F)F)C1 ZINC000660133395 567266297 /nfs/dbraw/zinc/26/62/97/567266297.db2.gz QJGASYHVRLGDIJ-SECBINFHSA-N 0 0 395.296 3.186 10 30 GGEERN N#CC1(CC(=O)Nc2cc(Br)c(F)cc2N2CCOCC2)CC1 ZINC000591234519 567270328 /nfs/dbraw/zinc/27/03/28/567270328.db2.gz IFMVWFAHGPIONJ-UHFFFAOYSA-N 0 0 382.233 3.057 10 30 GGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1nnc(SC)s1 ZINC000525859613 567271598 /nfs/dbraw/zinc/27/15/98/567271598.db2.gz MYEIWTVGZXTCOA-UHFFFAOYSA-N 0 0 379.467 3.066 10 30 GGEERN CCOc1c(Br)cc(Cl)cc1NCC(=O)NC1(C#N)CCC1 ZINC000525876317 567272295 /nfs/dbraw/zinc/27/22/95/567272295.db2.gz LVUCSBXWOZTIHH-UHFFFAOYSA-N 0 0 386.677 3.476 10 30 GGEERN C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000499806159 567273485 /nfs/dbraw/zinc/27/34/85/567273485.db2.gz XZCUPLCCMXDLLF-ABAIWWIYSA-N 0 0 376.243 3.493 10 30 GGEERN N#C[C@@H](NC(=O)Cn1c(=O)[nH]c2ccccc21)c1c(Cl)cccc1Cl ZINC000499846634 567276711 /nfs/dbraw/zinc/27/67/11/567276711.db2.gz KFINPKWVPAYTOX-CYBMUJFWSA-N 0 0 375.215 3.430 10 30 GGEERN Cn1cc(CCNS(=O)(=O)CC2(C#N)CCCC2)c2ccc(Cl)cc21 ZINC000548043161 567277032 /nfs/dbraw/zinc/27/70/32/567277032.db2.gz BXRUNQYSMCPATM-UHFFFAOYSA-N 0 0 379.913 3.378 10 30 GGEERN N#Cc1ccc(OCCNC(=O)Cc2c(F)ccc(Br)c2F)cc1 ZINC000499856751 567278416 /nfs/dbraw/zinc/27/84/16/567278416.db2.gz NCACGJYJOPYVFW-UHFFFAOYSA-N 0 0 395.203 3.337 10 30 GGEERN N#CC1(CS(=O)(=O)N2CC(c3nc4ccccc4s3)C2)CCCCC1 ZINC000548123947 567282342 /nfs/dbraw/zinc/28/23/42/567282342.db2.gz SKMCYPNZMFPEBH-UHFFFAOYSA-N 0 0 375.519 3.499 10 30 GGEERN C=CCn1c(CC2CC2)nnc1N(CCO)Cc1cc(Br)cs1 ZINC000685544292 567282377 /nfs/dbraw/zinc/28/23/77/567282377.db2.gz OIVAUAKZPPBGKF-UHFFFAOYSA-N 0 0 397.342 3.240 10 30 GGEERN C=CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CCOC[C@H]1C ZINC000685534288 567282650 /nfs/dbraw/zinc/28/26/50/567282650.db2.gz RLYHVXGHXMFBKI-GFCCVEGCSA-N 0 0 393.285 3.127 10 30 GGEERN CN1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)c2cc(Cl)ccc21 ZINC000567895260 567287998 /nfs/dbraw/zinc/28/79/98/567287998.db2.gz YJKBOSFXFLKZBB-UHFFFAOYSA-N 0 0 375.881 3.192 10 30 GGEERN CC(C)[C@@]1(C2CC2)NC(=O)N(Cc2cc(C#N)ccc2Br)C1=O ZINC000500024323 567291960 /nfs/dbraw/zinc/29/19/60/567291960.db2.gz DHEJVYAUDDXYQF-KRWDZBQOSA-N 0 0 376.254 3.177 10 30 GGEERN N#Cc1cccnc1-n1cc(NC(=O)c2cccc(F)c2Br)cn1 ZINC000500040418 567293574 /nfs/dbraw/zinc/29/35/74/567293574.db2.gz VGKDCABXYXHQJA-UHFFFAOYSA-N 0 0 386.184 3.293 10 30 GGEERN COc1c(Br)ccc(C)c1C(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000591758712 567295192 /nfs/dbraw/zinc/29/51/92/567295192.db2.gz LHOHVQNLVYXSGJ-HNNXBMFYSA-N 0 0 394.313 3.072 10 30 GGEERN C=CCOCCCNC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000660464843 567297385 /nfs/dbraw/zinc/29/73/85/567297385.db2.gz UKSKQSFDLLABGX-HNNXBMFYSA-N 0 0 396.329 3.167 10 30 GGEERN C=CCCO[C@H](C)C(=O)N[C@@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000476105936 567297740 /nfs/dbraw/zinc/29/77/40/567297740.db2.gz DDQUGWDLNAQEKD-ACJLOTCBSA-N 0 0 398.297 3.325 10 30 GGEERN N#Cc1cccc(N2CCN(C(=O)Nc3ccccc3Br)CC2)n1 ZINC000568019768 567297828 /nfs/dbraw/zinc/29/78/28/567297828.db2.gz HDPCSEPJZSFVAH-UHFFFAOYSA-N 0 0 386.253 3.070 10 30 GGEERN COc1cc(I)ccc1NC(=O)NCC1(CC#N)CC1 ZINC000455732655 567299483 /nfs/dbraw/zinc/29/94/83/567299483.db2.gz ICPNCAITDDJWMC-UHFFFAOYSA-N 0 0 385.205 3.115 10 30 GGEERN COc1cc(I)ccc1NC(=O)N(C[C@H](C)C#N)C1CC1 ZINC000455733176 567300030 /nfs/dbraw/zinc/30/00/30/567300030.db2.gz JGTHPOGQNYFEIS-SNVBAGLBSA-N 0 0 399.232 3.456 10 30 GGEERN C[C@@H]1CN(S(=O)(=O)Cc2ccc(CC#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000568083864 567303149 /nfs/dbraw/zinc/30/31/49/567303149.db2.gz RXCKGOWDIZASOU-KDOFPFPSSA-N 0 0 376.503 3.106 10 30 GGEERN C=CCOCCCNC(=O)NCc1cc(Br)ccc1OC(F)F ZINC000660519680 567304614 /nfs/dbraw/zinc/30/46/14/567304614.db2.gz FQWOEPRWNSMAHR-UHFFFAOYSA-N 0 0 393.228 3.442 10 30 GGEERN CCN(C[C@H](C)C#N)S(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000592018322 567308664 /nfs/dbraw/zinc/30/86/64/567308664.db2.gz MGQOOQSZYLESRW-LLVKDONJSA-N 0 0 384.299 3.111 10 30 GGEERN COc1cc(CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)c(Br)cc1O ZINC000592028338 567309645 /nfs/dbraw/zinc/30/96/45/567309645.db2.gz ZHQZOQHJHQFRFR-JQWIXIFHSA-N 0 0 382.258 3.045 10 30 GGEERN C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000527061904 567309749 /nfs/dbraw/zinc/30/97/49/567309749.db2.gz UVNZJCABEJNGFM-MRVPVSSYSA-N 0 0 379.176 3.487 10 30 GGEERN CO[C@@H](CNS(=O)(=O)Cc1ccc(CC#N)cc1)c1ccccc1Cl ZINC000592038064 567310080 /nfs/dbraw/zinc/31/00/80/567310080.db2.gz KLZCGOHPNNLJKB-SFHVURJKSA-N 0 0 378.881 3.213 10 30 GGEERN CN(Cc1nc(C(F)(F)F)cs1)S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000592038613 567310393 /nfs/dbraw/zinc/31/03/93/567310393.db2.gz FHDRUNLQHHKNNS-UHFFFAOYSA-N 0 0 389.424 3.190 10 30 GGEERN Cn1cc(Br)c2ccc(S(=O)(=O)NCC(C)(C)CC#N)cc21 ZINC000592055652 567311516 /nfs/dbraw/zinc/31/15/16/567311516.db2.gz FKFGXVNMTNPGGD-UHFFFAOYSA-N 0 0 384.299 3.159 10 30 GGEERN N#CCC1(CNS(=O)(=O)Cc2ccc(Br)cc2Cl)CC1 ZINC000592048753 567311662 /nfs/dbraw/zinc/31/16/62/567311662.db2.gz DUZWEQPFOKGGLG-UHFFFAOYSA-N 0 0 377.691 3.216 10 30 GGEERN CC(C)C[C@](C)(C#N)NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000476282578 567311772 /nfs/dbraw/zinc/31/17/72/567311772.db2.gz CSGJYEZEPSSBJW-QGZVFWFLSA-N 0 0 382.247 3.034 10 30 GGEERN C=CCOc1ccccc1CNC(=O)Nc1ccnc(C)c1Br ZINC000527087087 567312550 /nfs/dbraw/zinc/31/25/50/567312550.db2.gz KUPOVZPQDJDEAS-UHFFFAOYSA-N 0 0 376.254 3.461 10 30 GGEERN C[C@@H](CNS(=O)(=O)c1cc(Br)c(C#N)cc1F)CC(F)F ZINC000592067509 567313010 /nfs/dbraw/zinc/31/30/10/567313010.db2.gz RJIFZUKFJVBSCG-SSDOTTSWSA-N 0 0 385.205 3.029 10 30 GGEERN C[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000476312023 567313778 /nfs/dbraw/zinc/31/37/78/567313778.db2.gz RBMBXXUFRRZWDT-OAVHHTNSSA-N 0 0 376.865 3.443 10 30 GGEERN N#Cc1cnccc1CN1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000592106640 567314534 /nfs/dbraw/zinc/31/45/34/567314534.db2.gz 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ZINC000617580828 567323874 /nfs/dbraw/zinc/32/38/74/567323874.db2.gz GGKADZJRDHXFQS-VIFPVBQESA-N 0 0 392.091 3.270 10 30 GGEERN C=CCN(C(=O)c1cc(=O)[nH]c2ccc(Br)cc21)[C@H](C)COC ZINC000617580200 567323887 /nfs/dbraw/zinc/32/38/87/567323887.db2.gz SBZRBZQSPVUJNH-LLVKDONJSA-N 0 0 379.254 3.366 10 30 GGEERN N#Cc1ccc(Cl)c(S(=O)(=O)NCCOCc2ccc(Cl)cc2)c1 ZINC000476441038 567324941 /nfs/dbraw/zinc/32/49/41/567324941.db2.gz XRUXMHIWFZRHCO-UHFFFAOYSA-N 0 0 385.272 3.360 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCCc3c(F)cc(Br)cc32)o1 ZINC000568428677 567328881 /nfs/dbraw/zinc/32/88/81/567328881.db2.gz ORLMFMMMKIPIPP-UHFFFAOYSA-N 0 0 385.214 3.194 10 30 GGEERN CC[C@H](NC(=O)C(=O)NCc1ccc(CC#N)cc1)c1ccc(Cl)s1 ZINC000592334609 567330782 /nfs/dbraw/zinc/33/07/82/567330782.db2.gz BZQWOLVOFRSHLW-AWEZNQCLSA-N 0 0 375.881 3.351 10 30 GGEERN Cc1cc(=NC(=O)c2cc(F)c(Br)cc2Cl)[nH]n1CCC#N ZINC000476523250 567331879 /nfs/dbraw/zinc/33/18/79/567331879.db2.gz DZERNZVGWWYRAT-UHFFFAOYSA-N 0 0 385.624 3.334 10 30 GGEERN CC(C)C[C@@H](C#N)NS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000592382874 567334738 /nfs/dbraw/zinc/33/47/38/567334738.db2.gz TZPXEJXZOFOJJO-NSHDSACASA-N 0 0 384.299 3.157 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000617776046 567334773 /nfs/dbraw/zinc/33/47/73/567334773.db2.gz DMEXUPFJYAZVSM-KRWDZBQOSA-N 0 0 384.307 3.113 10 30 GGEERN CC(C)(CC#N)CS(=O)(=O)N1CCc2ccc(F)c(Br)c2C1 ZINC000527615570 567349558 /nfs/dbraw/zinc/34/95/58/567349558.db2.gz UQQMHHNYYNJTLK-UHFFFAOYSA-N 0 0 389.290 3.216 10 30 GGEERN N#Cc1ccc(C(=O)NCc2cc(Br)ccc2Br)cn1 ZINC000476786246 567349681 /nfs/dbraw/zinc/34/96/81/567349681.db2.gz LVZDHTPOVNKECL-UHFFFAOYSA-N 0 0 395.054 3.408 10 30 GGEERN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCc2ccc(F)c(Br)c2C1 ZINC000527621213 567350192 /nfs/dbraw/zinc/35/01/92/567350192.db2.gz HZODZKFVFULSLV-XIKOKIGWSA-N 0 0 396.304 3.389 10 30 GGEERN N#Cc1cc2c(nc1N1CCc3ccc(F)c(Br)c3C1)CCOC2 ZINC000527618058 567350847 /nfs/dbraw/zinc/35/08/47/567350847.db2.gz 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/nfs/dbraw/zinc/36/07/28/567360728.db2.gz WIFOEJVXNRKWLT-ZDUSSCGKSA-N 0 0 399.292 3.162 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)NCCc2cccs2)C1 ZINC000592747086 567360753 /nfs/dbraw/zinc/36/07/53/567360753.db2.gz IFWMKUNOSKSCTR-UHFFFAOYSA-N 0 0 390.306 3.177 10 30 GGEERN CCCn1nccc1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592757725 567360909 /nfs/dbraw/zinc/36/09/09/567360909.db2.gz OMZZVPAXXJDKJA-UHFFFAOYSA-N 0 0 388.269 3.002 10 30 GGEERN Cc1cc(Br)cc2c1CN(S(=O)(=O)c1ccc(C#N)s1)CC2 ZINC000435422244 567361751 /nfs/dbraw/zinc/36/17/51/567361751.db2.gz LGJVDIWTQLVICZ-UHFFFAOYSA-N 0 0 397.319 3.438 10 30 GGEERN Cc1cc(NC(=O)Cc2noc3ccc(Br)cc23)n(CCC#N)n1 ZINC000568857781 567361913 /nfs/dbraw/zinc/36/19/13/567361913.db2.gz PHTYYPHESVNDSO-UHFFFAOYSA-N 0 0 388.225 3.190 10 30 GGEERN C[C@@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1ccncc1 ZINC000592773987 567362167 /nfs/dbraw/zinc/36/21/67/567362167.db2.gz ZYWZYGCYZUQQLO-ZDUSSCGKSA-N 0 0 399.292 3.072 10 30 GGEERN N#Cc1ccc(C(=O)Nc2cc(N3CCOCC3)ccc2Br)o1 ZINC000456315614 567362197 /nfs/dbraw/zinc/36/21/97/567362197.db2.gz WQAYUQVCMREEPF-UHFFFAOYSA-N 0 0 376.210 3.003 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H]2CCCC(F)(F)C2)C1 ZINC000592776555 567362296 /nfs/dbraw/zinc/36/22/96/567362296.db2.gz VYGXWHSXHMYSPY-AWEZNQCLSA-N 0 0 398.251 3.451 10 30 GGEERN N#Cc1ccc(N2CCN(C(=O)NCc3ccc(Cl)o3)CC2)c(Cl)c1 ZINC000618202300 567362831 /nfs/dbraw/zinc/36/28/31/567362831.db2.gz UWORPAYFLMCLLX-UHFFFAOYSA-N 0 0 379.247 3.490 10 30 GGEERN C[C@H](Cc1ccc(Br)cc1)NS(=O)(=O)c1ccc(C#N)s1 ZINC000435427506 567363440 /nfs/dbraw/zinc/36/34/40/567363440.db2.gz NEPDAFQNXRJZPJ-SNVBAGLBSA-N 0 0 385.308 3.292 10 30 GGEERN CSCCCCCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592792298 567363514 /nfs/dbraw/zinc/36/35/14/567363514.db2.gz LGSGPUSCAIJILS-UHFFFAOYSA-N 0 0 396.354 3.406 10 30 GGEERN CCc1ccnc(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)c1 ZINC000592796797 567363578 /nfs/dbraw/zinc/36/35/78/567363578.db2.gz HLUFVOOGJHZGLM-UHFFFAOYSA-N 0 0 399.292 3.031 10 30 GGEERN Cc1ccc(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)nc1C ZINC000592804365 567363657 /nfs/dbraw/zinc/36/36/57/567363657.db2.gz AJCWMCBQEFMKKZ-UHFFFAOYSA-N 0 0 399.292 3.085 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H]2CCCSC2)C1 ZINC000592799899 567363682 /nfs/dbraw/zinc/36/36/82/567363682.db2.gz NELRTZLUTQOUHG-LBPRGKRZSA-N 0 0 394.338 3.016 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H]2CCCSC2)C1 ZINC000592799894 567363854 /nfs/dbraw/zinc/36/38/54/567363854.db2.gz NELRTZLUTQOUHG-GFCCVEGCSA-N 0 0 394.338 3.016 10 30 GGEERN CC(C)(CCC#N)CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592798917 567363947 /nfs/dbraw/zinc/36/39/47/567363947.db2.gz CKZACURTDDBWCA-UHFFFAOYSA-N 0 0 389.297 3.203 10 30 GGEERN CC(C)(CNS(=O)(=O)c1ccc(C#N)c(Br)c1)C(F)(F)F ZINC000548988393 567365670 /nfs/dbraw/zinc/36/56/70/567365670.db2.gz QGWVYEKMPJYEFW-UHFFFAOYSA-N 0 0 385.205 3.188 10 30 GGEERN CC(=O)NCCN(Cc1nc(C#N)cs1)Cc1ccc(Cl)cc1Cl ZINC000568923127 567366708 /nfs/dbraw/zinc/36/67/08/567366708.db2.gz VRZRGCZLSIDHGH-UHFFFAOYSA-N 0 0 383.304 3.460 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCn3c(cc4cc(Cl)ccc43)C2)s1 ZINC000435441742 567367734 /nfs/dbraw/zinc/36/77/34/567367734.db2.gz DMOHQJLVEHJTBL-UHFFFAOYSA-N 0 0 377.878 3.432 10 30 GGEERN Cc1ccc(C)c([C@@H]2CN(S(=O)(=O)c3ccc(C#N)s3)[C@@H](C)CO2)c1 ZINC000435440244 567367780 /nfs/dbraw/zinc/36/77/80/567367780.db2.gz UXUIIRRVSNHRLO-YOEHRIQHSA-N 0 0 376.503 3.387 10 30 GGEERN C=C(C)Cn1c(SCC(=O)N[C@H]2CSC2(C)C)nnc1-c1ccco1 ZINC000549032712 567369332 /nfs/dbraw/zinc/36/93/32/567369332.db2.gz MSKLFAVEYACQJH-ZDUSSCGKSA-N 0 0 378.523 3.217 10 30 GGEERN Cc1c2cc(Br)cc(C)c2oc1C(=O)N1CC[C@](O)(CC#N)C1 ZINC000592848791 567369719 /nfs/dbraw/zinc/36/97/19/567369719.db2.gz BIYXLLKCUQNDAP-QGZVFWFLSA-N 0 0 377.238 3.303 10 30 GGEERN COCCN(Cc1cc(Br)cs1)C(=O)c1ccnc(C#N)c1 ZINC000477125694 567372816 /nfs/dbraw/zinc/37/28/16/567372816.db2.gz YEGHADFBBSFNKT-UHFFFAOYSA-N 0 0 380.267 3.066 10 30 GGEERN Cc1c(NC(=O)COc2cccc(Br)c2C#N)n[nH]c1C(C)C ZINC000592949765 567373432 /nfs/dbraw/zinc/37/34/32/567373432.db2.gz MXGRBMYAGFRHLQ-UHFFFAOYSA-N 0 0 377.242 3.493 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000592997938 567374972 /nfs/dbraw/zinc/37/49/72/567374972.db2.gz WFGRYWYVGCEGAC-UHFFFAOYSA-N 0 0 398.304 3.208 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1CNc1ncnc2cccc(I)c21 ZINC000435583908 567375469 /nfs/dbraw/zinc/37/54/69/567375469.db2.gz IVSWIEGCXDIGME-XHDPSFHLSA-N 0 0 395.244 3.049 10 30 GGEERN C[C@H](NC(=O)c1cc(C#N)ccn1)c1nc(-c2ccc(Br)cc2)no1 ZINC000501276977 567376206 /nfs/dbraw/zinc/37/62/06/567376206.db2.gz SLATXWFSRNVVQI-JTQLQIEISA-N 0 0 398.220 3.257 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000618359971 567377872 /nfs/dbraw/zinc/37/78/72/567377872.db2.gz ITLGFPGHLBEOKM-JKSUJKDBSA-N 0 0 397.338 3.324 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000618359970 567378282 /nfs/dbraw/zinc/37/82/82/567378282.db2.gz ITLGFPGHLBEOKM-HZPDHXFCSA-N 0 0 397.338 3.324 10 30 GGEERN COC(=O)C1(NC(=O)Cc2ccc(Br)cc2C#N)CCCCCC1 ZINC000593018904 567378396 /nfs/dbraw/zinc/37/83/96/567378396.db2.gz BXVNCTPVBQNFDE-UHFFFAOYSA-N 0 0 393.281 3.245 10 30 GGEERN N#Cc1ccsc1C(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000456482758 567379277 /nfs/dbraw/zinc/37/92/77/567379277.db2.gz IUEHBGKLBHXCAK-SNVBAGLBSA-N 0 0 397.269 3.102 10 30 GGEERN Cc1nc(C2(NC(=O)Cc3ccc(Br)cc3C#N)CCCC2)no1 ZINC000593023489 567379347 /nfs/dbraw/zinc/37/93/47/567379347.db2.gz WCXCCANKRPDIOD-UHFFFAOYSA-N 0 0 389.253 3.140 10 30 GGEERN COCCN(Cc1ccc(C#N)cc1)C(=O)c1nscc1Br ZINC000593025639 567379782 /nfs/dbraw/zinc/37/97/82/567379782.db2.gz UPOBFBLRYGFBAQ-UHFFFAOYSA-N 0 0 380.267 3.066 10 30 GGEERN C=C(C)C[C@@H](C)C(=O)NC[C@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000456486023 567379909 /nfs/dbraw/zinc/37/99/09/567379909.db2.gz IFSFRGFLZRTCSK-UKRRQHHQSA-N 0 0 384.314 3.327 10 30 GGEERN CCCOc1ncccc1CNC(=O)Cc1ccc(Br)cc1C#N ZINC000593036348 567380780 /nfs/dbraw/zinc/38/07/80/567380780.db2.gz DXMAZJVCOVPDND-UHFFFAOYSA-N 0 0 388.265 3.363 10 30 GGEERN CCCOc1ccc(CNC(=O)Cc2ccc(Br)cc2C#N)cn1 ZINC000593054248 567382250 /nfs/dbraw/zinc/38/22/50/567382250.db2.gz SPSSYYRLTWYRLA-UHFFFAOYSA-N 0 0 388.265 3.363 10 30 GGEERN CC1(C)[C@H](NC(=O)Cc2ccc(Br)cc2C#N)[C@H]2CCCO[C@H]21 ZINC000593068392 567382658 /nfs/dbraw/zinc/38/26/58/567382658.db2.gz DYVOLFLSFLTMMH-DJIMGWMZSA-N 0 0 377.282 3.183 10 30 GGEERN Cc1ccc([C@H]2COCCN2C(=O)Cc2ccc(Br)cc2C#N)o1 ZINC000593061016 567383062 /nfs/dbraw/zinc/38/30/62/567383062.db2.gz NDYJBECEEORCBF-MRXNPFEDSA-N 0 0 389.249 3.365 10 30 GGEERN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593080673 567383452 /nfs/dbraw/zinc/38/34/52/567383452.db2.gz OXTDWPFOAKZQEO-KXNSMUHISA-N 0 0 397.338 3.059 10 30 GGEERN Cc1noc(C)c1C[C@@H](C)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593069304 567383583 /nfs/dbraw/zinc/38/35/83/567383583.db2.gz KLALWXWPHDVDOD-SNVBAGLBSA-N 0 0 376.254 3.216 10 30 GGEERN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)Cc1ccc(Br)cc1C#N ZINC000593079729 567383806 /nfs/dbraw/zinc/38/38/06/567383806.db2.gz ICGVQFFMUCHAQO-KDOFPFPSSA-N 0 0 379.298 3.431 10 30 GGEERN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)Cc1ccc(Br)cc1C#N ZINC000593080388 567383853 /nfs/dbraw/zinc/38/38/53/567383853.db2.gz ICGVQFFMUCHAQO-RDTXWAMCSA-N 0 0 379.298 3.431 10 30 GGEERN CCO[C@@H]1C[C@H](NC(=O)Cc2ccc(Br)cc2C#N)C12CCC2 ZINC000593069432 567384557 /nfs/dbraw/zinc/38/45/57/567384557.db2.gz LXNABEBHDCKJBG-JKSUJKDBSA-N 0 0 377.282 3.327 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCOC[C@@H]1c1ccccc1 ZINC000593085284 567384949 /nfs/dbraw/zinc/38/49/49/567384949.db2.gz ZYZBPKYVMYWSJI-GOSISDBHSA-N 0 0 385.261 3.463 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCN(c2cccs2)CC1 ZINC000593095957 567385384 /nfs/dbraw/zinc/38/53/84/567385384.db2.gz OTKYHATUNMVATO-UHFFFAOYSA-N 0 0 390.306 3.274 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NC1(c2ccc3c(c2)OCO3)CC1 ZINC000593100463 567385426 /nfs/dbraw/zinc/38/54/26/567385426.db2.gz IXBSWIRZHCDHJU-UHFFFAOYSA-N 0 0 399.244 3.397 10 30 GGEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(Br)c2cccnc12 ZINC000549299423 567385747 /nfs/dbraw/zinc/38/57/47/567385747.db2.gz QCVYYLFRCKGKOV-UHFFFAOYSA-N 0 0 376.254 3.360 10 30 GGEERN COC(=O)[C@@H](NC(=O)Cc1ccc(Br)cc1C#N)C1CCCCC1 ZINC000593089118 567385988 /nfs/dbraw/zinc/38/59/88/567385988.db2.gz QQDUMXZIIQWASN-KRWDZBQOSA-N 0 0 393.281 3.101 10 30 GGEERN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CSC1(C)C ZINC000549334222 567386491 /nfs/dbraw/zinc/38/64/91/567386491.db2.gz DNRCYHUUGNYBMW-ZDUSSCGKSA-N 0 0 399.310 3.108 10 30 GGEERN CC[C@@H](C)n1[nH]c(=NC(=O)Cc2ccc(Br)cc2C#N)cc1C ZINC000593118517 567387272 /nfs/dbraw/zinc/38/72/72/567387272.db2.gz XLDHCMJOVBHNQP-LLVKDONJSA-N 0 0 375.270 3.400 10 30 GGEERN CN(Cc1ccccc1Br)C(=O)CN1Cc2cccc(C#N)c2C1 ZINC000593125540 567388119 /nfs/dbraw/zinc/38/81/19/567388119.db2.gz NXGNUCASVQWOFI-UHFFFAOYSA-N 0 0 384.277 3.295 10 30 GGEERN COc1cccc2c1CCN(C(=O)Cc1ccc(Br)cc1C#N)C2 ZINC000593123928 567388157 /nfs/dbraw/zinc/38/81/57/567388157.db2.gz HMABNELVKPVTJQ-UHFFFAOYSA-N 0 0 385.261 3.457 10 30 GGEERN Cc1cc(=NC(=O)Cc2ccc(Br)cc2C#N)[nH]n1[C@H](C)C1CC1 ZINC000593123748 567388559 /nfs/dbraw/zinc/38/85/59/567388559.db2.gz OHEZQFHYYMHQQS-GFCCVEGCSA-N 0 0 387.281 3.400 10 30 GGEERN CN(Cc1cc(Br)cs1)C(=O)CN1Cc2cccc(C#N)c2C1 ZINC000593120758 567388824 /nfs/dbraw/zinc/38/88/24/567388824.db2.gz RUIAOCUMBGCQOF-UHFFFAOYSA-N 0 0 390.306 3.356 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCCC12CCOCC2 ZINC000593146692 567389804 /nfs/dbraw/zinc/38/98/04/567389804.db2.gz NIJPYIKQYUIDHH-MRXNPFEDSA-N 0 0 377.282 3.329 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCc1nncn1-c1ccccc1 ZINC000435792535 567390038 /nfs/dbraw/zinc/39/00/38/567390038.db2.gz VATMFVMMMFXBKW-UHFFFAOYSA-N 0 0 385.221 3.489 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000593160357 567391058 /nfs/dbraw/zinc/39/10/58/567391058.db2.gz ONKYKYGSSMOFIF-OAHLLOKOSA-N 0 0 393.672 3.187 10 30 GGEERN C=CCCn1cc(CN2CCOC[C@@H]2c2cccc(Br)c2)nn1 ZINC000661734224 567391310 /nfs/dbraw/zinc/39/13/10/567391310.db2.gz SYMMUKYMGMMHCN-QGZVFWFLSA-N 0 0 377.286 3.190 10 30 GGEERN Cc1noc([C@@H]2CCCCN2C(=O)Cc2ccc(Br)cc2C#N)n1 ZINC000593159698 567391428 /nfs/dbraw/zinc/39/14/28/567391428.db2.gz PVZGBHSUWSBCOY-HNNXBMFYSA-N 0 0 389.253 3.309 10 30 GGEERN Cc1cccc2c1OC[C@H](NC(=O)Cc1ccc(Br)cc1C#N)C2 ZINC000593159727 567391725 /nfs/dbraw/zinc/39/17/25/567391725.db2.gz IJDGWSGQLQBMSN-QGZVFWFLSA-N 0 0 385.261 3.292 10 30 GGEERN CC[C@@H](COCC(F)(F)F)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593167343 567392589 /nfs/dbraw/zinc/39/25/89/567392589.db2.gz OGHSXGBUHLZQSO-ZDUSSCGKSA-N 0 0 393.203 3.337 10 30 GGEERN CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(Br)cc1C#N ZINC000593168598 567392151 /nfs/dbraw/zinc/39/21/51/567392151.db2.gz MRZCFEZGEVZKII-CVEARBPZSA-N 0 0 393.281 3.101 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CCOC2(CCC2)C1 ZINC000593168084 567392163 /nfs/dbraw/zinc/39/21/63/567392163.db2.gz SUAUDFVQVJDLOK-CYBMUJFWSA-N 0 0 377.282 3.329 10 30 GGEERN Cn1ccnc1[C@@H]1N(C(=O)Cc2ccc(Br)cc2C#N)CC1(C)C ZINC000593167021 567392252 /nfs/dbraw/zinc/39/22/52/567392252.db2.gz XOAHAFFOGNPHQJ-INIZCTEOSA-N 0 0 387.281 3.206 10 30 GGEERN CC(C)n1cc(C(C)(C)NC(=O)Cc2ccc(Br)cc2C#N)nn1 ZINC000593175195 567392291 /nfs/dbraw/zinc/39/22/91/567392291.db2.gz FVCWQGJBCCWWIK-UHFFFAOYSA-N 0 0 390.285 3.087 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC(c2ccncn2)CC1 ZINC000593172606 567392707 /nfs/dbraw/zinc/39/27/07/567392707.db2.gz BSAZLGPUWOEVMH-UHFFFAOYSA-N 0 0 385.265 3.059 10 30 GGEERN CO[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc(Br)cc2C#N)C12CCC2 ZINC000593169281 567392981 /nfs/dbraw/zinc/39/29/81/567392981.db2.gz QQGJSNMOKHPONY-HZPDHXFCSA-N 0 0 377.282 3.279 10 30 GGEERN C=CCOCCCNC(=O)N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000661791168 567393203 /nfs/dbraw/zinc/39/32/03/567393203.db2.gz CXKIIGORDIZFGN-AWEZNQCLSA-N 0 0 380.794 3.284 10 30 GGEERN C=CCOCCCNC(=O)NCCc1c[nH]c2cccc(Br)c12 ZINC000661790559 567393322 /nfs/dbraw/zinc/39/33/22/567393322.db2.gz AYRMNCOSAOTMCZ-UHFFFAOYSA-N 0 0 380.286 3.365 10 30 GGEERN N#CC1(CNC(=O)Nc2cc(Br)cnc2-n2cccn2)CCCC1 ZINC000593180215 567393419 /nfs/dbraw/zinc/39/34/19/567393419.db2.gz BOOMRTXLUGJVHQ-UHFFFAOYSA-N 0 0 389.257 3.235 10 30 GGEERN C[C@H]1CC2(CN1C(=O)Cc1ccc(Br)cc1C#N)CCOCC2 ZINC000593180313 567393497 /nfs/dbraw/zinc/39/34/97/567393497.db2.gz GNOGTLSJUOLAQU-ZDUSSCGKSA-N 0 0 377.282 3.281 10 30 GGEERN COc1cc(Br)ccc1CNC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000501508103 567394506 /nfs/dbraw/zinc/39/45/06/567394506.db2.gz WWFJMVCHQIOUPI-UHFFFAOYSA-N 0 0 388.265 3.325 10 30 GGEERN C=CCOCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000618514913 567394890 /nfs/dbraw/zinc/39/48/90/567394890.db2.gz QUTDINKHGFZJQL-INIZCTEOSA-N 0 0 385.291 3.307 10 30 GGEERN N#CC1(N(C(=O)c2c(F)cccc2I)C2CC2)CCC1 ZINC000477441596 567395237 /nfs/dbraw/zinc/39/52/37/567395237.db2.gz FIWADZWGALQLIE-UHFFFAOYSA-N 0 0 384.192 3.481 10 30 GGEERN C=CCOCCCNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000618515404 567395459 /nfs/dbraw/zinc/39/54/59/567395459.db2.gz VRRDOFVTWHGXFG-MRXNPFEDSA-N 0 0 385.291 3.307 10 30 GGEERN C=CCOCCCNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000618515550 567395472 /nfs/dbraw/zinc/39/54/72/567395472.db2.gz WLPCQDBWXYSPGX-INIZCTEOSA-N 0 0 385.291 3.307 10 30 GGEERN C=CCOCCCNC(=O)c1cnn(-c2cccc(Br)c2)c1C ZINC000618522511 567396176 /nfs/dbraw/zinc/39/61/76/567396176.db2.gz KPYODLWZYBZECM-UHFFFAOYSA-N 0 0 378.270 3.266 10 30 GGEERN C=CCOCCCNC(=O)[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000618523957 567396701 /nfs/dbraw/zinc/39/67/01/567396701.db2.gz XLYODWSTOXJRNE-KRWDZBQOSA-N 0 0 387.307 3.076 10 30 GGEERN C=CCOC[C@@H](NC(=O)c1cc(Br)cc2ccccc21)C(=O)OC ZINC000435948454 567396812 /nfs/dbraw/zinc/39/68/12/567396812.db2.gz ILDVSYCEHKGXRM-MRXNPFEDSA-N 0 0 392.249 3.076 10 30 GGEERN C=CCOCCCNC(=O)[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000618525914 567397062 /nfs/dbraw/zinc/39/70/62/567397062.db2.gz JLPXFJAFHZYEPG-QGZVFWFLSA-N 0 0 381.314 3.295 10 30 GGEERN C[S@@](=O)Cc1cccc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000593203018 567397083 /nfs/dbraw/zinc/39/70/83/567397083.db2.gz DLMNHVFDABEUAW-XMMPIXPASA-N 0 0 376.503 3.167 10 30 GGEERN C=CCOCCCNC(=O)c1nn(-c2ccc(F)cc2)cc1Br ZINC000618523952 567397334 /nfs/dbraw/zinc/39/73/34/567397334.db2.gz XHKDIXDVALUZRK-UHFFFAOYSA-N 0 0 382.233 3.096 10 30 GGEERN C[S@](=O)Cc1ccccc1NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593210799 567397681 /nfs/dbraw/zinc/39/76/81/567397681.db2.gz NAMKQGJHCRZEOW-DEOSSOPVSA-N 0 0 376.503 3.167 10 30 GGEERN N#CC1(CS(=O)(=O)N2CCC[C@H](COc3ccccc3Cl)C2)CCC1 ZINC000477484442 567397816 /nfs/dbraw/zinc/39/78/16/567397816.db2.gz YDJXZMALYUZHMM-HNNXBMFYSA-N 0 0 382.913 3.454 10 30 GGEERN C[C@@H](Cc1cc(Br)ccc1F)NS(=O)(=O)CC1(C#N)CCC1 ZINC000477484193 567398034 /nfs/dbraw/zinc/39/80/34/567398034.db2.gz XTIXXCZPBJPEMZ-NSHDSACASA-N 0 0 389.290 3.132 10 30 GGEERN C[C@H](NS(=O)(=O)CC1(C#N)CCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000477523543 567400313 /nfs/dbraw/zinc/40/03/13/567400313.db2.gz PZEQTCGWFUNVBG-LBPRGKRZSA-N 0 0 376.400 3.302 10 30 GGEERN Cc1cc(I)cc(C(=O)Nc2cc(C#N)ccn2)c1C ZINC000436014443 567400989 /nfs/dbraw/zinc/40/09/89/567400989.db2.gz RCKBEPHMMHDVBO-UHFFFAOYSA-N 0 0 377.185 3.427 10 30 GGEERN Cc1nccc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1Br ZINC000593278794 567401809 /nfs/dbraw/zinc/40/18/09/567401809.db2.gz ZWDDOOBOKRFQEL-UHFFFAOYSA-N 0 0 394.294 3.176 10 30 GGEERN Cc1ccc(CNS(=O)(=O)CC2(C#N)CCC2)c(OCC(F)(F)F)c1 ZINC000477561430 567402930 /nfs/dbraw/zinc/40/29/30/567402930.db2.gz SONRFMYUDUUJQX-UHFFFAOYSA-N 0 0 376.400 3.049 10 30 GGEERN Cc1n[nH]c(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1Br ZINC000593280198 567403321 /nfs/dbraw/zinc/40/33/21/567403321.db2.gz GGYLGPHPAZMURK-UHFFFAOYSA-N 0 0 383.271 3.083 10 30 GGEERN COCCOc1ccc(Br)cc1NC(=O)c1cc(C#N)oc1C ZINC000436051025 567403919 /nfs/dbraw/zinc/40/39/19/567403919.db2.gz JUOMXXURCSRDMC-UHFFFAOYSA-N 0 0 379.210 3.500 10 30 GGEERN N#Cc1cscc1C(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000456704696 567403943 /nfs/dbraw/zinc/40/39/43/567403943.db2.gz AOFLWZZGCLZMLB-LLVKDONJSA-N 0 0 397.269 3.102 10 30 GGEERN N#Cc1cc(Br)ccc1Cc1nc(COCC(F)(F)F)no1 ZINC000593294058 567404366 /nfs/dbraw/zinc/40/43/66/567404366.db2.gz VAYPBDTTYMKPKK-UHFFFAOYSA-N 0 0 376.132 3.373 10 30 GGEERN CCCN1C[C@@H](c2noc(Cc3ccc(Br)cc3C#N)n2)CC1=O ZINC000593302325 567404447 /nfs/dbraw/zinc/40/44/47/567404447.db2.gz PYIHEJPQWHIODR-ZDUSSCGKSA-N 0 0 389.253 3.020 10 30 GGEERN Cc1cc(Br)ccc1NC(=O)CNC(=O)NCC1(C#N)CCCC1 ZINC000593295053 567405157 /nfs/dbraw/zinc/40/51/57/567405157.db2.gz MTMJICCVFYZQSP-UHFFFAOYSA-N 0 0 393.285 3.079 10 30 GGEERN N#CC1(CNC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)CCCC1 ZINC000593343406 567407146 /nfs/dbraw/zinc/40/71/46/567407146.db2.gz IAEVSVJYJGOGJX-OAHLLOKOSA-N 0 0 391.313 3.411 10 30 GGEERN N#CCN1CCC(NC(=O)NC2(c3ccccc3Br)CCC2)CC1 ZINC000593336908 567407810 /nfs/dbraw/zinc/40/78/10/567407810.db2.gz NMIUVJIZYRSAJJ-UHFFFAOYSA-N 0 0 391.313 3.115 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NCc1ccc(N2CCCC2)nc1 ZINC000593396674 567410338 /nfs/dbraw/zinc/41/03/38/567410338.db2.gz IJIVYQNOZDEISS-UHFFFAOYSA-N 0 0 399.292 3.175 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CCCc2[nH]c(=O)ccc21 ZINC000593397813 567410596 /nfs/dbraw/zinc/41/05/96/567410596.db2.gz ZNXKXPBZTVJEFU-INIZCTEOSA-N 0 0 386.249 3.158 10 30 GGEERN CN1CCN(C(=O)Cc2ccc(Br)cc2C#N)Cc2ccccc21 ZINC000593447732 567413564 /nfs/dbraw/zinc/41/35/64/567413564.db2.gz IUENRZAGVRPZFM-UHFFFAOYSA-N 0 0 384.277 3.342 10 30 GGEERN Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)c1sccc1C#N ZINC000456739870 567414434 /nfs/dbraw/zinc/41/44/34/567414434.db2.gz ZFWCEFVLSURCGY-GFCCVEGCSA-N 0 0 393.306 3.272 10 30 GGEERN C=CCC[C@H](CO)NC(=O)CSCc1ccc(Br)cc1F ZINC000456754023 567415689 /nfs/dbraw/zinc/41/56/89/567415689.db2.gz BHDRRWUCYGKFOE-CYBMUJFWSA-N 0 0 376.291 3.265 10 30 GGEERN CC(=O)N(C)c1ccc(C(=O)N[C@@H](C#N)c2ccccc2Br)cc1 ZINC000618833636 567416594 /nfs/dbraw/zinc/41/65/94/567416594.db2.gz GDYZLAUMMSZZOC-KRWDZBQOSA-N 0 0 386.249 3.426 10 30 GGEERN C[C@@H](NC(=O)C(=O)NCc1ccc(Cl)cc1Cl)c1ccc(C#N)cc1 ZINC000549919558 567417736 /nfs/dbraw/zinc/41/77/36/567417736.db2.gz XWNHRPJUIAIQBF-LLVKDONJSA-N 0 0 376.243 3.359 10 30 GGEERN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCO[C@H](CC(F)(F)F)C1 ZINC000662229594 567418794 /nfs/dbraw/zinc/41/87/94/567418794.db2.gz KIHGBRIDDBDAIX-ZIAGYGMSSA-N 0 0 376.444 3.304 10 30 GGEERN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593508884 567418899 /nfs/dbraw/zinc/41/88/99/567418899.db2.gz WQZGBQLYMZUXFB-CYBMUJFWSA-N 0 0 393.281 3.053 10 30 GGEERN N#Cc1ccccc1OC[C@@H](O)CN1CCc2cccc(Br)c2C1 ZINC000528385716 567418907 /nfs/dbraw/zinc/41/89/07/567418907.db2.gz CYBOFNFYLYYKBL-INIZCTEOSA-N 0 0 387.277 3.119 10 30 GGEERN N#Cc1cc(Cl)cc(Br)c1N1CCC(Cn2cnnc2)CC1 ZINC000593500568 567419126 /nfs/dbraw/zinc/41/91/26/567419126.db2.gz PTZSNYHEYLFXJQ-UHFFFAOYSA-N 0 0 380.677 3.482 10 30 GGEERN C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)C[C@@H](C(F)(F)F)O1 ZINC000593497217 567419837 /nfs/dbraw/zinc/41/98/37/567419837.db2.gz SZAQIQFNPFBXFD-RNCFNFMXSA-N 0 0 391.187 3.041 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000569645050 567420244 /nfs/dbraw/zinc/42/02/44/567420244.db2.gz YCOFCMLVTNXZHZ-RHSMWYFYSA-N 0 0 395.297 3.136 10 30 GGEERN CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccsc2C#N)cc1OCC ZINC000593524810 567420491 /nfs/dbraw/zinc/42/04/91/567420491.db2.gz AROBLPDIEAAMOQ-GFCCVEGCSA-N 0 0 380.491 3.457 10 30 GGEERN COc1ccc(CN(C)S(=O)(=O)c2ccsc2C#N)cc1OC(F)F ZINC000593530091 567420528 /nfs/dbraw/zinc/42/05/28/567420528.db2.gz HLNIDXIQWIARLE-UHFFFAOYSA-N 0 0 388.417 3.050 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NC[C@H](CCO)c1ccccc1 ZINC000593515579 567420824 /nfs/dbraw/zinc/42/08/24/567420824.db2.gz HHSDGQWAYKMXCS-INIZCTEOSA-N 0 0 387.277 3.146 10 30 GGEERN COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccsc2C#N)c(OC)c1 ZINC000593526915 567420906 /nfs/dbraw/zinc/42/09/06/567420906.db2.gz KKEWADBVDMPOIC-AWEZNQCLSA-N 0 0 378.475 3.163 10 30 GGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000436372032 567421233 /nfs/dbraw/zinc/42/12/33/567421233.db2.gz QFBVJPYZDOCGTR-IAQYHMDHSA-N 0 0 397.269 3.338 10 30 GGEERN COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2ccsc2C#N)c1 ZINC000593526947 567421244 /nfs/dbraw/zinc/42/12/44/567421244.db2.gz ZXMBXXYEHBGECH-CQSZACIVSA-N 0 0 378.475 3.163 10 30 GGEERN C[C@H](NS(=O)(=O)c1ccsc1C#N)c1ccc(NC(=O)C2CC2)cc1 ZINC000593528549 567421278 /nfs/dbraw/zinc/42/12/78/567421278.db2.gz CYRYZZJXNNRBFB-NSHDSACASA-N 0 0 375.475 3.008 10 30 GGEERN CN(CCC(=O)OC(C)(C)C)C(=O)Cc1ccc(Br)cc1C#N ZINC000593520447 567421288 /nfs/dbraw/zinc/42/12/88/567421288.db2.gz OPSDSRIKIWYMCT-UHFFFAOYSA-N 0 0 381.270 3.053 10 30 GGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000436372033 567421338 /nfs/dbraw/zinc/42/13/38/567421338.db2.gz QFBVJPYZDOCGTR-NHYWBVRUSA-N 0 0 397.269 3.338 10 30 GGEERN C=CCC1(NS(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CC3)CCCC1 ZINC000528429809 567421993 /nfs/dbraw/zinc/42/19/93/567421993.db2.gz HTHSISZYHUPXJW-UHFFFAOYSA-N 0 0 382.913 3.416 10 30 GGEERN CCCN([C@@H](C)C(=O)Nc1ccccc1)S(=O)(=O)c1ccsc1C#N ZINC000593537979 567421991 /nfs/dbraw/zinc/42/19/91/567421991.db2.gz JTCGMLVGGADTBU-ZDUSSCGKSA-N 0 0 377.491 3.048 10 30 GGEERN CC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)OC)c1ccc(Cl)s1 ZINC000593545261 567422349 /nfs/dbraw/zinc/42/23/49/567422349.db2.gz REWZGLHJKKAZQV-GFCCVEGCSA-N 0 0 398.893 3.489 10 30 GGEERN N#Cc1sccc1S(=O)(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000593537640 567422375 /nfs/dbraw/zinc/42/23/75/567422375.db2.gz IRCGVNXWHYSMOE-LBPRGKRZSA-N 0 0 381.910 3.078 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000593535421 567422404 /nfs/dbraw/zinc/42/24/04/567422404.db2.gz ZKRPCWRMXUPJQD-YUMQZZPRSA-N 0 0 392.346 3.371 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N[C@@H](CCO)C1CCCCC1 ZINC000593533544 567422564 /nfs/dbraw/zinc/42/25/64/567422564.db2.gz QEKMXSBRCCYITR-KRWDZBQOSA-N 0 0 379.298 3.311 10 30 GGEERN CN(C(=O)Cc1ccc(Br)cc1C#N)[C@@H](CCO)c1ccccc1 ZINC000593537316 567422590 /nfs/dbraw/zinc/42/25/90/567422590.db2.gz GTSHKAFJEHRTMO-SFHVURJKSA-N 0 0 387.277 3.445 10 30 GGEERN CC[C@@H](C)C(=O)Nc1cccc(CNS(=O)(=O)c2ccsc2C#N)c1 ZINC000593531764 567422679 /nfs/dbraw/zinc/42/26/79/567422679.db2.gz HOXWUVIJJWLGLU-GFCCVEGCSA-N 0 0 377.491 3.083 10 30 GGEERN C=CC[C@H]1CCCN(S(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CC3)C1 ZINC000528432146 567423464 /nfs/dbraw/zinc/42/34/64/567423464.db2.gz OOOMWLRVQHMIMQ-AWEZNQCLSA-N 0 0 382.913 3.226 10 30 GGEERN CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H]1C[C@H]1C1CC1 ZINC000456888859 567423988 /nfs/dbraw/zinc/42/39/88/567423988.db2.gz WCVBKHJFRQFGCC-KBPBESRZSA-N 0 0 393.281 3.261 10 30 GGEERN COC[C@@H](NS(=O)(=O)c1ccsc1C#N)c1cccc(C(F)(F)F)c1 ZINC000593546856 567424030 /nfs/dbraw/zinc/42/40/30/567424030.db2.gz LFCLIHVDDPTASC-GFCCVEGCSA-N 0 0 390.408 3.305 10 30 GGEERN CC(C)(C#N)c1ccc(S(=O)(=O)N2CCO[C@H](c3cccs3)C2)cc1 ZINC000593562894 567424265 /nfs/dbraw/zinc/42/42/65/567424265.db2.gz PWEYBFIHSAKVOH-INIZCTEOSA-N 0 0 376.503 3.311 10 30 GGEERN Cc1c(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)sc2nccn12 ZINC000502226195 567424250 /nfs/dbraw/zinc/42/42/50/567424250.db2.gz JYWQUYPDSBVDSK-LBPRGKRZSA-N 0 0 375.251 3.461 10 30 GGEERN COc1cccc(CC2CCN(S(=O)(=O)c3ccsc3C#N)CC2)c1 ZINC000593574390 567425014 /nfs/dbraw/zinc/42/50/14/567425014.db2.gz BHBRYXJKJWAGDC-UHFFFAOYSA-N 0 0 376.503 3.272 10 30 GGEERN CN1CC[C@H](NS(=O)(=O)c2ccsc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000593568079 567425072 /nfs/dbraw/zinc/42/50/72/567425072.db2.gz UVWCUXNXGFPKEI-XJKSGUPXSA-N 0 0 399.900 3.136 10 30 GGEERN CC(C)c1nc([C@@H]2CCCCCN2S(=O)(=O)c2ccsc2C#N)no1 ZINC000593572606 567425282 /nfs/dbraw/zinc/42/52/82/567425282.db2.gz POTQGOJAVFGNLZ-LBPRGKRZSA-N 0 0 380.495 3.432 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000593575068 567425288 /nfs/dbraw/zinc/42/52/88/567425288.db2.gz FLMWYZIUTGGTOH-AWEZNQCLSA-N 0 0 376.507 3.287 10 30 GGEERN C[C@H](c1ccccc1)[C@@H](CO)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593576182 567425390 /nfs/dbraw/zinc/42/53/90/567425390.db2.gz RLZHSSXXDXFANO-FZKQIMNGSA-N 0 0 387.277 3.144 10 30 GGEERN Cc1cc(Br)c2c(c1)CN(S(=O)(=O)c1ccsc1C#N)CC2 ZINC000593579502 567425409 /nfs/dbraw/zinc/42/54/09/567425409.db2.gz YUCXVLKINRKZJY-UHFFFAOYSA-N 0 0 397.319 3.438 10 30 GGEERN CC(C)c1nc([C@H]2CCCCCN2S(=O)(=O)c2ccsc2C#N)no1 ZINC000593572602 567425531 /nfs/dbraw/zinc/42/55/31/567425531.db2.gz POTQGOJAVFGNLZ-GFCCVEGCSA-N 0 0 380.495 3.432 10 30 GGEERN CN1CC[C@@H](NS(=O)(=O)c2ccsc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000593568078 567425687 /nfs/dbraw/zinc/42/56/87/567425687.db2.gz UVWCUXNXGFPKEI-CZUORRHYSA-N 0 0 399.900 3.136 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000593581767 567425827 /nfs/dbraw/zinc/42/58/27/567425827.db2.gz JLCNPKVAQLXBNA-IBGZPJMESA-N 0 0 399.288 3.333 10 30 GGEERN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1ccsc1C#N ZINC000593579569 567425939 /nfs/dbraw/zinc/42/59/39/567425939.db2.gz ALFXAYKUZRAANO-SMDDNHRTSA-N 0 0 382.894 3.424 10 30 GGEERN N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c1 ZINC000528461037 567426056 /nfs/dbraw/zinc/42/60/56/567426056.db2.gz AIEADTKPHYWCPE-BPQIPLTHSA-N 0 0 376.840 3.108 10 30 GGEERN N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c1 ZINC000528461041 567426271 /nfs/dbraw/zinc/42/62/71/567426271.db2.gz AIEADTKPHYWCPE-CGTJXYLNSA-N 0 0 376.840 3.108 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000593602820 567426584 /nfs/dbraw/zinc/42/65/84/567426584.db2.gz YENOJDVKUPCZCW-ZDUSSCGKSA-N 0 0 377.447 3.096 10 30 GGEERN CC[C@H](COCC(F)(F)F)NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593603282 567426735 /nfs/dbraw/zinc/42/67/35/567426735.db2.gz KQTSCFPKDDUSDL-CYBMUJFWSA-N 0 0 378.416 3.124 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000593582589 567426806 /nfs/dbraw/zinc/42/68/06/567426806.db2.gz DAGGGWBBIGMNNM-ZDUSSCGKSA-N 0 0 386.857 3.174 10 30 GGEERN CCOc1ccc(S(=O)(=O)NCC2(C#N)CCCC2)cc1Br ZINC000593620446 567427949 /nfs/dbraw/zinc/42/79/49/567427949.db2.gz PJCZPAFKGJGEPS-UHFFFAOYSA-N 0 0 387.299 3.210 10 30 GGEERN C[C@@]1(Cc2cccc(Cl)c2)CCCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000593620571 567428122 /nfs/dbraw/zinc/42/81/22/567428122.db2.gz BRGWXYMLKINCRL-SFHVURJKSA-N 0 0 375.881 3.393 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N[C@H](c1ccccc1)C1(CO)CCCC1 ZINC000593605986 567428234 /nfs/dbraw/zinc/42/82/34/567428234.db2.gz NCUWWTBOJSQBIS-QGZVFWFLSA-N 0 0 376.503 3.192 10 30 GGEERN N#CC1(CNS(=O)(=O)c2cc(Br)ccc2Cl)CCCC1 ZINC000593621149 567428431 /nfs/dbraw/zinc/42/84/31/567428431.db2.gz UCHHSIZUUFQAGU-UHFFFAOYSA-N 0 0 377.691 3.465 10 30 GGEERN CCC(C)(C)OC1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000528490312 567428987 /nfs/dbraw/zinc/42/89/87/567428987.db2.gz TUWOYPMDRRNEAD-UHFFFAOYSA-N 0 0 376.400 3.155 10 30 GGEERN N#CC1(CNS(=O)(=O)c2ccc(Cl)cc2Br)CCCC1 ZINC000593623858 567429396 /nfs/dbraw/zinc/42/93/96/567429396.db2.gz RKJFQEVVUSSMPO-UHFFFAOYSA-N 0 0 377.691 3.465 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000593640971 567431239 /nfs/dbraw/zinc/43/12/39/567431239.db2.gz MEBJFHNJQWTOAW-KRWDZBQOSA-N 0 0 377.282 3.281 10 30 GGEERN CCN(C[C@@H](C)C#N)S(=O)(=O)NC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000593665444 567433325 /nfs/dbraw/zinc/43/33/25/567433325.db2.gz DUKMTYSUUGCMEG-LBPRGKRZSA-N 0 0 375.416 3.010 10 30 GGEERN C=CCn1c(SCCn2nc(C)oc2=O)nnc1-c1ccc(Cl)cc1 ZINC000641436432 567435809 /nfs/dbraw/zinc/43/58/09/567435809.db2.gz AIQJKWBPZYKGNL-UHFFFAOYSA-N 0 0 377.857 3.035 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NC[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000593720126 567436074 /nfs/dbraw/zinc/43/60/74/567436074.db2.gz PRZFNXHXRTUFOA-QUCCMNQESA-N 0 0 399.288 3.146 10 30 GGEERN CC(C)[C@@H](CO)[C@@H](NC(=O)Cc1ccc(Br)cc1C#N)C(C)C ZINC000593739985 567437236 /nfs/dbraw/zinc/43/72/36/567437236.db2.gz DZRLGNLJXNLNQO-AEFFLSMTSA-N 0 0 381.314 3.269 10 30 GGEERN C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)CC(C)(C)OC ZINC000569858674 567437605 /nfs/dbraw/zinc/43/76/05/567437605.db2.gz OKMAVCOPXQFTOZ-UHFFFAOYSA-N 0 0 394.306 3.331 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CC[C@](CO)(c2ccccc2)C1 ZINC000593724561 567437670 /nfs/dbraw/zinc/43/76/70/567437670.db2.gz USBOORXETLXFHC-FQEVSTJZSA-N 0 0 399.288 3.026 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000593743216 567437806 /nfs/dbraw/zinc/43/78/06/567437806.db2.gz DIAZGTNFYOIXSM-ROUUACIJSA-N 0 0 385.261 3.198 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000593740338 567437830 /nfs/dbraw/zinc/43/78/30/567437830.db2.gz KWUUYBVSUMEWOA-GVDBMIGSSA-N 0 0 377.282 3.015 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCN[C@@H](c2ccccc2)C1 ZINC000593737255 567437839 /nfs/dbraw/zinc/43/78/39/567437839.db2.gz HNIYPGFLQKIAEG-GOSISDBHSA-N 0 0 384.277 3.036 10 30 GGEERN CN(Cc1ccccc1Br)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000478146411 567438220 /nfs/dbraw/zinc/43/82/20/567438220.db2.gz HKIFRHHGEWLYEC-UHFFFAOYSA-N 0 0 397.269 3.422 10 30 GGEERN CCn1c(-c2cc(Br)cn2C)nnc1N1Cc2cccc(C#N)c2C1 ZINC000593756811 567439532 /nfs/dbraw/zinc/43/95/32/567439532.db2.gz DWOFFXMPJNHYJJ-UHFFFAOYSA-N 0 0 397.280 3.458 10 30 GGEERN N#Cc1cc(Cl)c(C(=O)NC[C@@]2(CO)CCc3ccccc32)c(Cl)c1 ZINC000593777233 567440498 /nfs/dbraw/zinc/44/04/98/567440498.db2.gz JUJXWVDTBDOHTL-LJQANCHMSA-N 0 0 375.255 3.471 10 30 GGEERN N#CC1(CNC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)CCCC1 ZINC000593782215 567440531 /nfs/dbraw/zinc/44/05/31/567440531.db2.gz IWVRZADLMVSCTQ-GOSISDBHSA-N 0 0 375.881 3.469 10 30 GGEERN N#CC1(CNC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)CCCC1 ZINC000593777746 567440582 /nfs/dbraw/zinc/44/05/82/567440582.db2.gz BMVMFLOGUCTCLO-HNNXBMFYSA-N 0 0 377.897 3.055 10 30 GGEERN N#CC1(CNC(=O)CCNC(=O)Nc2ccc(Br)cc2)CCCC1 ZINC000593782374 567440604 /nfs/dbraw/zinc/44/06/04/567440604.db2.gz LFBVAGYNEYDQCZ-UHFFFAOYSA-N 0 0 393.285 3.161 10 30 GGEERN N#CC1(CNC(=O)CCOc2cccc(I)c2)CCCC1 ZINC000593786794 567440780 /nfs/dbraw/zinc/44/07/80/567440780.db2.gz MXNXRZOKXRDGDF-UHFFFAOYSA-N 0 0 398.244 3.260 10 30 GGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(I)ccc1O ZINC000436669760 567441779 /nfs/dbraw/zinc/44/17/79/567441779.db2.gz NLZLRYQLJOSFMK-UHFFFAOYSA-N 0 0 385.123 3.187 10 30 GGEERN N#Cc1ccc([C@H](C(N)=O)N2CC3(CC3)c3ccc(Br)cc32)cc1 ZINC000528651049 567446086 /nfs/dbraw/zinc/44/60/86/567446086.db2.gz WZKGSJSWNUOYIP-QGZVFWFLSA-N 0 0 382.261 3.399 10 30 GGEERN C=CCCn1cc(C[S@@](=O)Cc2cc(Br)ccc2OC)nn1 ZINC000593936610 567447684 /nfs/dbraw/zinc/44/76/84/567447684.db2.gz VAHUWLPVANPRDY-QFIPXVFZSA-N 0 0 384.299 3.074 10 30 GGEERN C=CCCn1cc(C[S@](=O)Cc2noc(-c3ccc(Cl)cc3)n2)nn1 ZINC000593935418 567448159 /nfs/dbraw/zinc/44/81/59/567448159.db2.gz CTDWAGKFDBAMQV-VWLOTQADSA-N 0 0 377.857 3.007 10 30 GGEERN C=CCCn1cc(C[S@@](=O)CC(=O)Nc2ccc(Cl)c(Cl)c2)nn1 ZINC000593939742 567449443 /nfs/dbraw/zinc/44/94/43/567449443.db2.gz IXYOUUXFHJYYQT-XMMPIXPASA-N 0 0 387.292 3.048 10 30 GGEERN N#CC1(CNC(=O)N2CCC[C@H]2c2ccc(I)cc2)CC1 ZINC000569998237 567449935 /nfs/dbraw/zinc/44/99/35/567449935.db2.gz FVEVYTNLQHFZRZ-AWEZNQCLSA-N 0 0 395.244 3.441 10 30 GGEERN C=C[C@H](C)NC(=O)Cc1cc(Br)cc(I)c1 ZINC000593988345 567450528 /nfs/dbraw/zinc/45/05/28/567450528.db2.gz LGEKVTUXTJOCQN-QMMMGPOBSA-N 0 0 394.050 3.287 10 30 GGEERN COC(=O)c1cc(I)cc(NC(=O)CCCCC#N)c1 ZINC000593998299 567452121 /nfs/dbraw/zinc/45/21/21/567452121.db2.gz OZVSVTOMFNDTOE-UHFFFAOYSA-N 0 0 386.189 3.100 10 30 GGEERN COC(=O)CCN(Cc1cccc(Br)c1)C(=O)CCCCC#N ZINC000594013545 567452262 /nfs/dbraw/zinc/45/22/62/567452262.db2.gz YUCXMHJKZBLHRT-UHFFFAOYSA-N 0 0 381.270 3.425 10 30 GGEERN CCOC(=O)[C@@H](NC(=O)CCCCC#N)c1ccc(OC)c(Br)c1 ZINC000594000370 567452587 /nfs/dbraw/zinc/45/25/87/567452587.db2.gz BUOGGOHORUOREA-INIZCTEOSA-N 0 0 397.269 3.262 10 30 GGEERN N#Cc1cc(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)ccn1 ZINC000619427463 567452787 /nfs/dbraw/zinc/45/27/87/567452787.db2.gz RKPSLZUMGJPNKF-UHFFFAOYSA-N 0 0 381.233 3.396 10 30 GGEERN N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CCC(F)F)CC1 ZINC000619434761 567452934 /nfs/dbraw/zinc/45/29/34/567452934.db2.gz ORPAGOIYCAGUKJ-CQSZACIVSA-N 0 0 386.240 3.203 10 30 GGEERN N#Cc1ccc(OCC(=O)N[C@H](C2CC2)[C@@H]2CCCCO2)cc1Br ZINC000594068613 567457504 /nfs/dbraw/zinc/45/75/04/567457504.db2.gz KUXJRKMFJNCFFC-FUHWJXTLSA-N 0 0 393.281 3.163 10 30 GGEERN N#CC1(CNC(=O)N2CCC[C@@H]2c2ccccc2I)CC1 ZINC000570116798 567458715 /nfs/dbraw/zinc/45/87/15/567458715.db2.gz WTLVCFIFAYCMCO-CQSZACIVSA-N 0 0 395.244 3.441 10 30 GGEERN Cc1ccc2c(ncc(C#N)c2N2C[C@@H](O)CC(F)(F)C2)c1Br ZINC000619497748 567460603 /nfs/dbraw/zinc/46/06/03/567460603.db2.gz ICHYJZBECDYBLL-NSHDSACASA-N 0 0 382.208 3.384 10 30 GGEERN Cc1c(C(=O)N[C@H](C#N)c2cccc(Br)c2)sc2nccn12 ZINC000502926919 567462598 /nfs/dbraw/zinc/46/25/98/567462598.db2.gz ZPDWQJHUCGFHLE-GFCCVEGCSA-N 0 0 375.251 3.461 10 30 GGEERN Cc1cc(Br)c(C(=O)N2CCN(c3ncccc3C#N)CC2)s1 ZINC000457400779 567462726 /nfs/dbraw/zinc/46/27/26/567462726.db2.gz LJDZYICGXGXLOK-UHFFFAOYSA-N 0 0 391.294 3.048 10 30 GGEERN CC[C@H](NC(=O)COc1cccc(Br)c1C#N)[C@@H]1CCCCO1 ZINC000594173531 567463171 /nfs/dbraw/zinc/46/31/71/567463171.db2.gz BMXITUVPOHYEGV-HOCLYGCPSA-N 0 0 381.270 3.163 10 30 GGEERN N#Cc1cc(C(=O)NCc2ccc(I)cc2Cl)c[nH]1 ZINC000478507183 567463583 /nfs/dbraw/zinc/46/35/83/567463583.db2.gz PNMVQQNOEJTOEF-UHFFFAOYSA-N 0 0 385.592 3.074 10 30 GGEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1csc(Br)c1 ZINC000503055354 567466676 /nfs/dbraw/zinc/46/66/76/567466676.db2.gz PCUKTYUQZBQQBV-HNNXBMFYSA-N 0 0 387.299 3.388 10 30 GGEERN N#CC1(CNC(=O)N2CCOc3cccc(Br)c3C2)CCCC1 ZINC000594251052 567467054 /nfs/dbraw/zinc/46/70/54/567467054.db2.gz ZMBINMUGINHUFG-UHFFFAOYSA-N 0 0 378.270 3.437 10 30 GGEERN N#CCCCCC(=O)N=c1cc(-c2ccc(I)cc2)[nH][nH]1 ZINC000594283016 567467634 /nfs/dbraw/zinc/46/76/34/567467634.db2.gz ZBLMHQLBEMGTTG-UHFFFAOYSA-N 0 0 394.216 3.126 10 30 GGEERN N#CCCCCC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000594281604 567468199 /nfs/dbraw/zinc/46/81/99/567468199.db2.gz FNPRHPUUDRBMJJ-QGZVFWFLSA-N 0 0 389.297 3.242 10 30 GGEERN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000594334412 567470065 /nfs/dbraw/zinc/47/00/65/567470065.db2.gz FYVOKJMVFLTXSD-SCLBCKFNSA-N 0 0 387.277 3.349 10 30 GGEERN COC(=O)[C@H](c1cc(OC)ccc1Br)N(C)C(=O)CCCCC#N ZINC000594367185 567471338 /nfs/dbraw/zinc/47/13/38/567471338.db2.gz XLINQORLONPMLW-INIZCTEOSA-N 0 0 397.269 3.214 10 30 GGEERN Cc1cc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)ncc1C#N ZINC000457512664 567471991 /nfs/dbraw/zinc/47/19/91/567471991.db2.gz DPJJOIUPXZFSRE-HNNXBMFYSA-N 0 0 385.265 3.033 10 30 GGEERN N#Cc1ccc(O[C@@H]2CCN(Cc3nc4cc(Br)ccc4[nH]3)C2)nc1 ZINC000570264204 567472177 /nfs/dbraw/zinc/47/21/77/567472177.db2.gz MYJUWEQEAAJPQE-CQSZACIVSA-N 0 0 398.264 3.245 10 30 GGEERN COC(C)(C)CCOc1c(I)cc(C#N)cc1[N+](=O)[O-] ZINC000551100131 567478582 /nfs/dbraw/zinc/47/85/82/567478582.db2.gz WURGPCJGROATID-UHFFFAOYSA-N 0 0 390.177 3.265 10 30 GGEERN N#Cc1ccc(CNS(=O)(=O)c2cc3c(cc2Cl)OCCO3)cc1Cl ZINC000619753046 567478863 /nfs/dbraw/zinc/47/88/63/567478863.db2.gz JKRMHBUJVGIBRH-UHFFFAOYSA-N 0 0 399.255 3.115 10 30 GGEERN C[C@@]1(c2ccc(Br)s2)NC(=O)N(CC#Cc2ccccc2)C1=O ZINC000478720189 567479552 /nfs/dbraw/zinc/47/95/52/567479552.db2.gz OBXWOMPKAHYWOG-KRWDZBQOSA-N 0 0 389.274 3.329 10 30 GGEERN N#Cc1ccc(Br)cc1S(=O)(=O)NC[C@@H]1CCC2(CCCC2)O1 ZINC000594486591 567480038 /nfs/dbraw/zinc/48/00/38/567480038.db2.gz BSHIWOPUXMRXJN-AWEZNQCLSA-N 0 0 399.310 3.091 10 30 GGEERN Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC1(CS(C)(=O)=O)CCC1 ZINC000619791608 567481476 /nfs/dbraw/zinc/48/14/76/567481476.db2.gz AARMTWFTUQGXTN-UHFFFAOYSA-N 0 0 378.881 3.050 10 30 GGEERN N#Cc1cc(Cl)c(C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)c(Cl)c1 ZINC000619819827 567481849 /nfs/dbraw/zinc/48/18/49/567481849.db2.gz VCQFSTMUUIOUNS-WBMJQRKESA-N 0 0 383.275 3.163 10 30 GGEERN N#Cc1ccc(CNC(=O)N[C@@H]2CCOC3(CCSCC3)C2)cc1Cl ZINC000619820280 567482889 /nfs/dbraw/zinc/48/28/89/567482889.db2.gz SORBJRKNTNYZOP-OAHLLOKOSA-N 0 0 379.913 3.456 10 30 GGEERN N#CCCCCc1nc(Cc2nc3ccc(Br)cc3c(=O)[nH]2)no1 ZINC000594532895 567483447 /nfs/dbraw/zinc/48/34/47/567483447.db2.gz HFDCYMLQLPZCSB-UHFFFAOYSA-N 0 0 388.225 3.308 10 30 GGEERN Cn1cc(I)c(CNCc2ccc(C(C)(C)C#N)cc2)n1 ZINC000594509972 567483679 /nfs/dbraw/zinc/48/36/79/567483679.db2.gz ZKUJGWYDKFCEKA-UHFFFAOYSA-N 0 0 394.260 3.116 10 30 GGEERN N#C[C@@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)c1ccc(Cl)cc1 ZINC000619864019 567484414 /nfs/dbraw/zinc/48/44/14/567484414.db2.gz ZDRVNLNLGOPERO-ZWNOBZJWSA-N 0 0 383.882 3.057 10 30 GGEERN N#C[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)c1ccc(Cl)cc1 ZINC000619864016 567484650 /nfs/dbraw/zinc/48/46/50/567484650.db2.gz ZDRVNLNLGOPERO-GWCFXTLKSA-N 0 0 383.882 3.057 10 30 GGEERN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[C@H]2c2ccsc2)cc1 ZINC000529083654 567484826 /nfs/dbraw/zinc/48/48/26/567484826.db2.gz VELBVOQSJPPFTK-XFBWCDHKSA-N 0 0 375.475 3.111 10 30 GGEERN Cc1c(Br)cccc1CS(=O)(=O)N(C1CC1)C1(C#N)CCC1 ZINC000594577221 567486813 /nfs/dbraw/zinc/48/68/13/567486813.db2.gz ZKFHHGJTERJODY-UHFFFAOYSA-N 0 0 383.311 3.498 10 30 GGEERN CC(C)(C)n1nnc(CNc2c(C#N)cnc3c(Br)cccc32)n1 ZINC000594595817 567488574 /nfs/dbraw/zinc/48/85/74/567488574.db2.gz LOPGLDWYUFCLHZ-UHFFFAOYSA-N 0 0 386.257 3.223 10 30 GGEERN N#Cc1ccc(CC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)cn1 ZINC000529138268 567488748 /nfs/dbraw/zinc/48/87/48/567488748.db2.gz LBBLVHLITBVULY-OAHLLOKOSA-N 0 0 375.259 3.198 10 30 GGEERN Cc1c(C#N)cccc1C(=O)N[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000457824271 567495124 /nfs/dbraw/zinc/49/51/24/567495124.db2.gz FSLPAHATBOFPPC-SJORKVTESA-N 0 0 386.249 3.284 10 30 GGEERN N#C[C@H]1CN(C(=O)Nc2csc(-c3ccc(Br)cc3)n2)CCO1 ZINC000529176268 567496674 /nfs/dbraw/zinc/49/66/74/567496674.db2.gz NZYPCQWZRLFJHZ-LBPRGKRZSA-N 0 0 393.266 3.329 10 30 GGEERN N#Cc1ccc(CC(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)cn1 ZINC000529214716 567497327 /nfs/dbraw/zinc/49/73/27/567497327.db2.gz BUDULORHJWUAOF-GOSISDBHSA-N 0 0 399.292 3.361 10 30 GGEERN N#Cc1ccc(CC(=O)N2CCC(Nc3cccc(Br)c3)CC2)cn1 ZINC000529207208 567498469 /nfs/dbraw/zinc/49/84/69/567498469.db2.gz TWKMONVZMBKSOV-UHFFFAOYSA-N 0 0 399.292 3.361 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000570607078 567499378 /nfs/dbraw/zinc/49/93/78/567499378.db2.gz AGJCPMIKZXFOPN-YHWZYXNKSA-N 0 0 394.265 3.194 10 30 GGEERN C[C@]1(Br)C[C@@H]1C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000529220658 567499647 /nfs/dbraw/zinc/49/96/47/567499647.db2.gz AVSQHOAJQWPQRM-INMHGKMJSA-N 0 0 396.716 3.222 10 30 GGEERN C[C@]1(Br)C[C@H]1C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000529220661 567499670 /nfs/dbraw/zinc/49/96/70/567499670.db2.gz AVSQHOAJQWPQRM-ZOBUZTSGSA-N 0 0 396.716 3.222 10 30 GGEERN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503734259 567504065 /nfs/dbraw/zinc/50/40/65/567504065.db2.gz XRVZVZARQZJKSK-YVEFUNNKSA-N 0 0 376.865 3.224 10 30 GGEERN N#CC1(c2ccc(CNc3ccc(I)cn3)cc2)CC1 ZINC000594735553 567504422 /nfs/dbraw/zinc/50/44/22/567504422.db2.gz TVBWLMUVFIGAIB-UHFFFAOYSA-N 0 0 375.213 3.275 10 30 GGEERN N#Cc1ccc(CN(C2CC2)S(=O)(=O)c2ncccc2Br)cc1 ZINC000594752917 567506609 /nfs/dbraw/zinc/50/66/09/567506609.db2.gz WIJWPGOVMSYQDX-UHFFFAOYSA-N 0 0 392.278 3.069 10 30 GGEERN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCOC[C@@H]1C(F)(F)F ZINC000594759422 567507963 /nfs/dbraw/zinc/50/79/63/567507963.db2.gz OIFGAPRXDZNGAQ-CYBMUJFWSA-N 0 0 390.408 3.033 10 30 GGEERN C[C@@H](C#N)CN(C1CC1)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000594765800 567509078 /nfs/dbraw/zinc/50/90/78/567509078.db2.gz QLMSKYAIYOSFHL-JTQLQIEISA-N 0 0 375.263 3.042 10 30 GGEERN CC1(C#N)CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000503852069 567509442 /nfs/dbraw/zinc/50/94/42/567509442.db2.gz BKNZYWCYIYWELH-UHFFFAOYSA-N 0 0 378.237 3.216 10 30 GGEERN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCC[C@@H]2COCC[C@H]21 ZINC000594767719 567510575 /nfs/dbraw/zinc/51/05/75/567510575.db2.gz NFGMXSGQYPQLOX-GDBMZVCRSA-N 0 0 376.503 3.271 10 30 GGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000620312839 567511002 /nfs/dbraw/zinc/51/10/02/567511002.db2.gz OCPUUACWMHDJCA-TXEJJXNPSA-N 0 0 383.311 3.292 10 30 GGEERN CC(C)(CC#N)CNC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000457991190 567510936 /nfs/dbraw/zinc/51/09/36/567510936.db2.gz IVWFTXOEKLLLPU-INIZCTEOSA-N 0 0 384.307 3.423 10 30 GGEERN CCn1c(CNC(=O)N2CCC(C#N)CC2)nc2cc(Br)ccc21 ZINC000479169295 567511142 /nfs/dbraw/zinc/51/11/42/567511142.db2.gz ILXGUINVRCEZME-UHFFFAOYSA-N 0 0 390.285 3.264 10 30 GGEERN COc1ccc(CCNS(=O)(=O)c2ccc(C#N)cc2Cl)c(Cl)c1 ZINC000503886780 567511392 /nfs/dbraw/zinc/51/13/92/567511392.db2.gz SXNXZHIJAUOPHO-UHFFFAOYSA-N 0 0 385.272 3.395 10 30 GGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCS(=O)(=O)c1cccc(Br)c1 ZINC000620301408 567511416 /nfs/dbraw/zinc/51/14/16/567511416.db2.gz ARIYEJCFNNMCFQ-GASCZTMLSA-N 0 0 398.322 3.323 10 30 GGEERN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCC[C@]2(CCOC2)C1 ZINC000594780432 567511639 /nfs/dbraw/zinc/51/16/39/567511639.db2.gz KDECEAXENBGXSH-SFHVURJKSA-N 0 0 376.503 3.273 10 30 GGEERN COc1ccc(Br)cc1C(=O)CCC(=O)N1CC[C@](C)(C#N)C1 ZINC000620301302 567511737 /nfs/dbraw/zinc/51/17/37/567511737.db2.gz NNQXCCWOHAXQDO-QGZVFWFLSA-N 0 0 379.254 3.183 10 30 GGEERN CO[C@@H](CCNS(=O)(=O)c1sc2ccc(C#N)cc2c1C)C(F)(F)F ZINC000594778131 567511965 /nfs/dbraw/zinc/51/19/65/567511965.db2.gz GENVZHIQFJIOLI-ZDUSSCGKSA-N 0 0 392.424 3.327 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)c1cn(CC2CC2)nn1 ZINC000458007406 567512475 /nfs/dbraw/zinc/51/24/75/567512475.db2.gz BXPSJBRPEODKOO-UHFFFAOYSA-N 0 0 377.242 3.268 10 30 GGEERN C=CCOc1c(Br)cc(CN2CC[C@@H](F)[C@H]([NH3+])C2)cc1OCC ZINC000663506959 567512602 /nfs/dbraw/zinc/51/26/02/567512602.db2.gz PTIFJBABQMPQSU-HUUCEWRRSA-N 0 0 387.293 3.284 10 30 GGEERN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCO[C@](C)(C2CC2)C1 ZINC000594799160 567513554 /nfs/dbraw/zinc/51/35/54/567513554.db2.gz PGVWIBMZYFCING-SFHVURJKSA-N 0 0 376.503 3.271 10 30 GGEERN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@@H](O)CC12CCC2 ZINC000594785737 567513597 /nfs/dbraw/zinc/51/35/97/567513597.db2.gz SOUGWVCXAKAPOP-CQSZACIVSA-N 0 0 376.503 3.150 10 30 GGEERN N#CC1(CNS(=O)(=O)Cc2cc(F)ccc2Br)CCCC1 ZINC000594792928 567513751 /nfs/dbraw/zinc/51/37/51/567513751.db2.gz DVNYZQPBVBJWBY-UHFFFAOYSA-N 0 0 375.263 3.092 10 30 GGEERN N#CC[C@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)C1 ZINC000594807200 567514617 /nfs/dbraw/zinc/51/46/17/567514617.db2.gz USHBQSYRPWIHCU-SNVBAGLBSA-N 0 0 377.691 3.417 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](CC)Cc1ccc(Br)cc1 ZINC000620337775 567515284 /nfs/dbraw/zinc/51/52/84/567515284.db2.gz FPHYOIMVYIHHAJ-SJORKVTESA-N 0 0 381.314 3.357 10 30 GGEERN CC[C@H](COCC1CC1)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000594800466 567515235 /nfs/dbraw/zinc/51/52/35/567515235.db2.gz GDAGWDKSZSHHAL-CYBMUJFWSA-N 0 0 376.400 3.061 10 30 GGEERN C[C@@]1(Cc2ccccc2Cl)CCCN1S(=O)(=O)c1cncc(C#N)c1 ZINC000594810062 567515808 /nfs/dbraw/zinc/51/58/08/567515808.db2.gz SVFWCWJQHYVZPU-SFHVURJKSA-N 0 0 375.881 3.393 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)COCc1cc(C)no1 ZINC000458037900 567516092 /nfs/dbraw/zinc/51/60/92/567516092.db2.gz PKZIKAOLQXMGRF-UHFFFAOYSA-N 0 0 381.226 3.466 10 30 GGEERN C=C[C@@](C)(O)C(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC000620359060 567517638 /nfs/dbraw/zinc/51/76/38/567517638.db2.gz WORPFKLLMXDFLO-CQSZACIVSA-N 0 0 389.087 3.033 10 30 GGEERN COC(=O)[C@](C)(NC(=O)c1ccc(C#N)nc1)c1ccc(Cl)c(Cl)c1 ZINC000479237201 567517976 /nfs/dbraw/zinc/51/79/76/567517976.db2.gz GNEBLYPXWXIEHP-QGZVFWFLSA-N 0 0 378.215 3.078 10 30 GGEERN N#CC1(CS(=O)(=O)N2CCOc3cc(Br)ccc32)CCCC1 ZINC000594847635 567519022 /nfs/dbraw/zinc/51/90/22/567519022.db2.gz SMHMIJRCKYAJLJ-UHFFFAOYSA-N 0 0 385.283 3.062 10 30 GGEERN C=CCn1cc(CNC(=O)C(C)(C)[C@H](O)c2cc(Cl)cc(Cl)c2)nn1 ZINC000529503431 567522070 /nfs/dbraw/zinc/52/20/70/567522070.db2.gz UNZVXBRXOSRYHD-OAHLLOKOSA-N 0 0 383.279 3.147 10 30 GGEERN N#CC1(CNS(=O)(=O)c2ccc(F)cc2Br)CCCCC1 ZINC000594870026 567522095 /nfs/dbraw/zinc/52/20/95/567522095.db2.gz YBAXEHDGXMHWSH-UHFFFAOYSA-N 0 0 375.263 3.341 10 30 GGEERN N#Cc1cccc(C2(NS(=O)(=O)c3ccc(Cl)cc3)CCOCC2)c1 ZINC000594860299 567522549 /nfs/dbraw/zinc/52/25/49/567522549.db2.gz ASJSSDIRYPVZJD-UHFFFAOYSA-N 0 0 376.865 3.196 10 30 GGEERN Cc1cc(S(=O)(=O)NC2(c3cccc(C#N)c3)CCOCC2)sc1C ZINC000594866028 567522746 /nfs/dbraw/zinc/52/27/46/567522746.db2.gz XFVLVUWNUVJCTB-UHFFFAOYSA-N 0 0 376.503 3.221 10 30 GGEERN COc1cc(S(=O)(=O)NCC2(C#N)CCCCC2)ccc1Br ZINC000594869582 567522754 /nfs/dbraw/zinc/52/27/54/567522754.db2.gz NOSWNSYVRMIYFK-UHFFFAOYSA-N 0 0 387.299 3.210 10 30 GGEERN Cc1cc(=NC(=O)C(C)(C)c2cccc(Br)c2)[nH]n1CCC#N ZINC000504101186 567523089 /nfs/dbraw/zinc/52/30/89/567523089.db2.gz XFBGAJLABXIANM-UHFFFAOYSA-N 0 0 375.270 3.206 10 30 GGEERN N#C[C@@H](Sc1nnc(N2CCOCC2)n1C1CC1)c1ccc(Cl)cc1 ZINC000594883113 567523845 /nfs/dbraw/zinc/52/38/45/567523845.db2.gz GYJOBTQSDNFMKB-OAHLLOKOSA-N 0 0 375.885 3.460 10 30 GGEERN COc1cc(Br)cc(S(=O)(=O)NCC2(C#N)CCCCC2)c1 ZINC000594884284 567523889 /nfs/dbraw/zinc/52/38/89/567523889.db2.gz MBMBSNJZBYTXJR-UHFFFAOYSA-N 0 0 387.299 3.210 10 30 GGEERN CC(C)Cn1c(CCC(N)=O)nnc1S[C@@H](C#N)c1ccc(Cl)cc1 ZINC000594881334 567524179 /nfs/dbraw/zinc/52/41/79/567524179.db2.gz GGTVVPFTPDQVGO-AWEZNQCLSA-N 0 0 377.901 3.362 10 30 GGEERN COCCN(C(C)=O)c1nc(COc2c(Cl)cc(F)cc2C#N)cs1 ZINC000594908203 567525488 /nfs/dbraw/zinc/52/54/88/567525488.db2.gz LGMBOIAPUMNBTC-UHFFFAOYSA-N 0 0 383.832 3.386 10 30 GGEERN N#Cc1cc(-c2nc(CS(=O)(=O)c3cc(Cl)ccc3Cl)no2)ccn1 ZINC000571101124 567537196 /nfs/dbraw/zinc/53/71/96/567537196.db2.gz VICJWFBXHVEVDS-UHFFFAOYSA-N 0 0 395.227 3.284 10 30 GGEERN N#CC1(CS(=O)(=O)NCCc2cc(Cl)ccc2Br)CCC1 ZINC000571126917 567539295 /nfs/dbraw/zinc/53/92/95/567539295.db2.gz OIVYSPASSASRTM-UHFFFAOYSA-N 0 0 391.718 3.258 10 30 GGEERN C=CCOc1c(Br)cc(CN2CC(=O)N(C)[C@H](C)C2)cc1OCC ZINC000504589477 567541263 /nfs/dbraw/zinc/54/12/63/567541263.db2.gz LPHSZBHOJPUSRT-CYBMUJFWSA-N 0 0 397.313 3.075 10 30 GGEERN C=CCOc1c(Br)cc(CN2CC(=O)N(C)[C@@H](C)C2)cc1OCC ZINC000504589478 567541980 /nfs/dbraw/zinc/54/19/80/567541980.db2.gz LPHSZBHOJPUSRT-ZDUSSCGKSA-N 0 0 397.313 3.075 10 30 GGEERN C=CCCSCCNC(=O)C(=O)Nc1cnc(-c2ccc(Cl)s2)nc1 ZINC000595116169 567542815 /nfs/dbraw/zinc/54/28/15/567542815.db2.gz MGRJNLYVSPDYKP-UHFFFAOYSA-N 0 0 396.925 3.223 10 30 GGEERN C=CCN(CCO[C@@H]1CC1(F)F)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000663930870 567543137 /nfs/dbraw/zinc/54/31/37/567543137.db2.gz RAQBRVGIIBEYAG-CYBMUJFWSA-N 0 0 385.354 3.306 10 30 GGEERN C[C@@H]1CN(C(=O)CCOCC(F)(F)C(F)(F)F)C[C@H](CC(F)(F)F)O1 ZINC000620805715 567544345 /nfs/dbraw/zinc/54/43/45/567544345.db2.gz MZWFCMVJKGTUKL-BDAKNGLRSA-N 0 0 387.267 3.159 10 30 GGEERN C[C@@H]1CN(C(=O)CCOCC(F)(F)C(F)(F)F)C[C@@H](CC(F)(F)F)O1 ZINC000620805718 567545105 /nfs/dbraw/zinc/54/51/05/567545105.db2.gz MZWFCMVJKGTUKL-RKDXNWHRSA-N 0 0 387.267 3.159 10 30 GGEERN CC(C)(C)C1CC(NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000479570744 567545120 /nfs/dbraw/zinc/54/51/20/567545120.db2.gz YLEXZTKVKBTJHI-UHFFFAOYSA-N 0 0 378.270 3.200 10 30 GGEERN Cc1nc(NC(=O)CCc2ccc3c(c2)OCCO3)sc1SCC#N ZINC000504726756 567545648 /nfs/dbraw/zinc/54/56/48/567545648.db2.gz UXGQUYBQYXAUIU-UHFFFAOYSA-N 0 0 375.475 3.410 10 30 GGEERN C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)C1CCC(F)CC1 ZINC000595194800 567547008 /nfs/dbraw/zinc/54/70/08/567547008.db2.gz BVBVFYCBJVJVFJ-XSRFYTQQSA-N 0 0 396.260 3.292 10 30 GGEERN N#CC1(CNC(=O)C(=O)Nc2ccc(F)cc2Br)CCCCC1 ZINC000595183034 567547050 /nfs/dbraw/zinc/54/70/50/567547050.db2.gz CFMYMMMXXZDFOD-UHFFFAOYSA-N 0 0 382.233 3.117 10 30 GGEERN C=CC(C)(C)CNC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000458429252 567547551 /nfs/dbraw/zinc/54/75/51/567547551.db2.gz OLBFXYUQDIBQAB-UHFFFAOYSA-N 0 0 378.274 3.246 10 30 GGEERN CC(C)(C)C(F)(F)CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000595220195 567548385 /nfs/dbraw/zinc/54/83/85/567548385.db2.gz VEJYRLBWGRHRSJ-UHFFFAOYSA-N 0 0 388.212 3.057 10 30 GGEERN Cc1c(NC(=O)C(=O)N[C@H](C(C)C)C2CC2)ccc(Br)c1C#N ZINC000595196590 567548755 /nfs/dbraw/zinc/54/87/55/567548755.db2.gz LYPVOOOQXVOTRN-OAHLLOKOSA-N 0 0 378.270 3.119 10 30 GGEERN N#CCc1ccc(CNC(=O)c2sc3c(c2Br)CNC3)cc1 ZINC000595251449 567549721 /nfs/dbraw/zinc/54/97/21/567549721.db2.gz VVLFGFHTIXFOKR-UHFFFAOYSA-N 0 0 376.279 3.110 10 30 GGEERN CS(=O)(=O)Nc1cccc2c1CCN([C@H](C#N)c1ccc(Cl)cc1)C2 ZINC000595295809 567551869 /nfs/dbraw/zinc/55/18/69/567551869.db2.gz SOHCHGQDEBQKOR-GOSISDBHSA-N 0 0 375.881 3.334 10 30 GGEERN N#Cc1c(F)cc(CNC(=O)c2cc3c(c(Br)c2)OCO3)cc1F ZINC000552036631 567552097 /nfs/dbraw/zinc/55/20/97/567552097.db2.gz KAONXKWTSGRXAC-UHFFFAOYSA-N 0 0 395.159 3.258 10 30 GGEERN COc1cc(C)c(Br)cc1C(=O)NCCOc1ccc(C#N)cc1 ZINC000552049338 567553796 /nfs/dbraw/zinc/55/37/96/567553796.db2.gz UHZDFDPSPPIVFU-UHFFFAOYSA-N 0 0 389.249 3.447 10 30 GGEERN COC(=O)[C@@H](NC(=O)c1ccc(C#N)cc1C)c1ccc(Br)cc1 ZINC000438915774 567553842 /nfs/dbraw/zinc/55/38/42/567553842.db2.gz ZYDYLHZKUWUQNM-INIZCTEOSA-N 0 0 387.233 3.273 10 30 GGEERN O=C(NCC[C@@H](O)C(F)(F)F)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000504960427 567554883 /nfs/dbraw/zinc/55/48/83/567554883.db2.gz XTBSPEQOTXYBSD-SNVBAGLBSA-N 0 0 378.244 3.202 10 30 GGEERN C=CCCC1(CNc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CCCC1 ZINC000664181121 567555679 /nfs/dbraw/zinc/55/56/79/567555679.db2.gz GKLUKGOACNAFQJ-UHFFFAOYSA-N 0 0 385.551 3.432 10 30 GGEERN C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000595356742 567557295 /nfs/dbraw/zinc/55/72/95/567557295.db2.gz JIQSKJFPXYDNRR-GFCCVEGCSA-N 0 0 399.310 3.043 10 30 GGEERN CC(C)[C@H](O)[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000595354704 567557518 /nfs/dbraw/zinc/55/75/18/567557518.db2.gz QKQQTCMGSJYRHX-MSOLQXFVSA-N 0 0 378.881 3.248 10 30 GGEERN CC(C)[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000595353189 567557856 /nfs/dbraw/zinc/55/78/56/567557856.db2.gz HZLSACFVTKLJAI-ROUUACIJSA-N 0 0 378.881 3.248 10 30 GGEERN Cc1cc([C@@H]2CCN(S(=O)(=O)c3ccsc3C#N)C2)c(O)cc1Cl ZINC000595351819 567558085 /nfs/dbraw/zinc/55/80/85/567558085.db2.gz HZKFYZUXZWDLNC-LLVKDONJSA-N 0 0 382.894 3.465 10 30 GGEERN Cc1cc([C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)c(O)cc1Cl ZINC000595353126 567558164 /nfs/dbraw/zinc/55/81/64/567558164.db2.gz MULFUMSWCSAORS-AWEZNQCLSA-N 0 0 376.865 3.404 10 30 GGEERN CC(C)[C@@H](O)[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000595354705 567558187 /nfs/dbraw/zinc/55/81/87/567558187.db2.gz QKQQTCMGSJYRHX-QZTJIDSGSA-N 0 0 378.881 3.248 10 30 GGEERN CC(C)[C@@H](O)[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1 ZINC000595353781 567558268 /nfs/dbraw/zinc/55/82/68/567558268.db2.gz MIMYSYXRDZJJPU-QZTJIDSGSA-N 0 0 378.881 3.248 10 30 GGEERN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000595372447 567559255 /nfs/dbraw/zinc/55/92/55/567559255.db2.gz JHODMZXSHQWICT-PHIMTYICSA-N 0 0 387.255 3.229 10 30 GGEERN C[C@@]1(C#N)CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000595372104 567559506 /nfs/dbraw/zinc/55/95/06/567559506.db2.gz PNJGXGITZBMQNR-LBPRGKRZSA-N 0 0 381.654 3.166 10 30 GGEERN CCCOc1ccc(Br)cc1S(=O)(=O)N1CC[C@](C)(C#N)C1 ZINC000595369153 567559565 /nfs/dbraw/zinc/55/95/65/567559565.db2.gz OJUFWAGYCLDADA-OAHLLOKOSA-N 0 0 387.299 3.162 10 30 GGEERN C[C@]1(C#N)CCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000595372347 567559585 /nfs/dbraw/zinc/55/95/85/567559585.db2.gz SWGSFBXTLBPASX-CYBMUJFWSA-N 0 0 377.691 3.168 10 30 GGEERN COc1cc(Br)c(S(=O)(=O)N2CC[C@](C)(C#N)C2)cc1Cl ZINC000595366375 567559591 /nfs/dbraw/zinc/55/95/91/567559591.db2.gz JFWRXMXUMJDUER-CYBMUJFWSA-N 0 0 393.690 3.035 10 30 GGEERN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000595371286 567559597 /nfs/dbraw/zinc/55/95/97/567559597.db2.gz ASBVTPUMTNZFJJ-TXEJJXNPSA-N 0 0 385.258 3.332 10 30 GGEERN C[C@]1(C#N)CCN(S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000595366390 567559603 /nfs/dbraw/zinc/55/96/03/567559603.db2.gz JHJWTVJHIPETIR-GFCCVEGCSA-N 0 0 397.216 3.392 10 30 GGEERN CCN(C[C@@H](C)C#N)C(=O)c1ccc2cc(I)ccc2n1 ZINC000479805025 567559842 /nfs/dbraw/zinc/55/98/42/567559842.db2.gz HMXGEPYEBGGCQO-NSHDSACASA-N 0 0 393.228 3.461 10 30 GGEERN N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC000530002988 567560062 /nfs/dbraw/zinc/56/00/62/567560062.db2.gz QXPCQGDLBPAMMW-SMDDNHRTSA-N 0 0 377.263 3.433 10 30 GGEERN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCO[C@](C)(C(F)F)C1 ZINC000595416391 567563164 /nfs/dbraw/zinc/56/31/64/567563164.db2.gz WOIUXFDQDUWPSS-INIZCTEOSA-N 0 0 386.445 3.126 10 30 GGEERN C[C@H](NC(=O)N1CC[C@@](C)(C#N)C1)c1cc2c(cc1Br)OCCO2 ZINC000595452362 567565193 /nfs/dbraw/zinc/56/51/93/567565193.db2.gz JNMWTVVSZKDSCE-GTNSWQLSSA-N 0 0 394.269 3.226 10 30 GGEERN C[C@@H](NC(=O)N1CC[C@@](C)(C#N)C1)c1cc2c(cc1Br)OCCO2 ZINC000595452361 567565581 /nfs/dbraw/zinc/56/55/81/567565581.db2.gz JNMWTVVSZKDSCE-DIFFPNOSSA-N 0 0 394.269 3.226 10 30 GGEERN Cn1c(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cc2ccccc2c1=O ZINC000505201437 567565936 /nfs/dbraw/zinc/56/59/36/567565936.db2.gz SNDRENPRNKDYJH-MRXNPFEDSA-N 0 0 396.244 3.296 10 30 GGEERN N#C[C@@H](NC(=O)c1ccnc(NC(=O)C2CC2)c1)c1ccc(Br)cc1 ZINC000505206531 567565969 /nfs/dbraw/zinc/56/59/69/567565969.db2.gz ADGTUXGZDQZEGS-OAHLLOKOSA-N 0 0 399.248 3.187 10 30 GGEERN N#Cc1ccc(C2(NC(=O)c3ccncc3Br)CCOCC2)cc1 ZINC000530059462 567566411 /nfs/dbraw/zinc/56/64/11/567566411.db2.gz AKEQMCHBTZHIJF-UHFFFAOYSA-N 0 0 386.249 3.151 10 30 GGEERN N#Cc1ccc(C2(NC(=O)c3ncc(Br)s3)CCOCC2)cc1 ZINC000530059674 567566493 /nfs/dbraw/zinc/56/64/93/567566493.db2.gz GFIPACWOFVCEMU-UHFFFAOYSA-N 0 0 392.278 3.213 10 30 GGEERN Cn1cc([C@H](NCc2ccc(C#N)cc2Br)C2(CO)CCC2)cn1 ZINC000595492977 567568333 /nfs/dbraw/zinc/56/83/33/567568333.db2.gz IRQBWYYUFHMATH-KRWDZBQOSA-N 0 0 389.297 3.048 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCc1nc(CC(F)(F)F)no1 ZINC000479926751 567569103 /nfs/dbraw/zinc/56/91/03/567569103.db2.gz BSLQFAQUYHJWOY-UHFFFAOYSA-N 0 0 392.131 3.396 10 30 GGEERN Cc1nnc(NC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)s1 ZINC000505426219 567575787 /nfs/dbraw/zinc/57/57/87/567575787.db2.gz GKVWLPHMHLANCO-MRVPVSSYSA-N 0 0 377.401 3.494 10 30 GGEERN C=CCN(CCc1ccco1)C(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000458826645 567576685 /nfs/dbraw/zinc/57/66/85/567576685.db2.gz CWMBKQYALAYGDB-LBPRGKRZSA-N 0 0 379.258 3.333 10 30 GGEERN C=C(C)CCN1C(=O)N[C@](C)(c2ccc(I)cc2)C1=O ZINC000505508039 567579589 /nfs/dbraw/zinc/57/95/89/567579589.db2.gz VGGXJHDRITYKFS-OAHLLOKOSA-N 0 0 384.217 3.024 10 30 GGEERN N#C[C@@H](NC(=O)Cc1csc2nccn12)c1ccc(Br)cc1 ZINC000480105734 567582010 /nfs/dbraw/zinc/58/20/10/567582010.db2.gz AZLZISJJXWWVPD-CYBMUJFWSA-N 0 0 375.251 3.082 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000644865208 567584606 /nfs/dbraw/zinc/58/46/06/567584606.db2.gz XCZKNIQIMJKLKS-YOEHRIQHSA-N 0 0 396.306 3.472 10 30 GGEERN N#CC[C@@H]1CCCN(C(=O)NCCc2ccc(I)cc2)C1 ZINC000595828607 567585155 /nfs/dbraw/zinc/58/51/55/567585155.db2.gz UNBJWMGRLWWXNG-AWEZNQCLSA-N 0 0 397.260 3.169 10 30 GGEERN N#C[C@H]1CN(C(=O)c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)CCO1 ZINC000480185743 567585936 /nfs/dbraw/zinc/58/59/36/567585936.db2.gz WYVNYVXYUAIFJN-AWEZNQCLSA-N 0 0 377.231 3.497 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000621464365 567586812 /nfs/dbraw/zinc/58/68/12/567586812.db2.gz WPLNVIVYMJYIKP-FZMZJTMJSA-N 0 0 389.240 3.431 10 30 GGEERN Cc1ccc2c(c1Br)CN(CC(=O)NCc1cccc(C#N)c1)C2 ZINC000595873943 567587882 /nfs/dbraw/zinc/58/78/82/567587882.db2.gz OCKSJGSAOVTMKV-UHFFFAOYSA-N 0 0 384.277 3.261 10 30 GGEERN N#Cc1ccccc1N1CCN(C(=O)Cc2cscc2Br)CC1 ZINC000571781214 567587915 /nfs/dbraw/zinc/58/79/15/567587915.db2.gz POVPNYSRPWTVKK-UHFFFAOYSA-N 0 0 390.306 3.274 10 30 GGEERN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCOc2cc(Br)ccc2C1 ZINC000595877030 567588384 /nfs/dbraw/zinc/58/83/84/567588384.db2.gz NSPMFNHWJKGBBT-ACJLOTCBSA-N 0 0 394.313 3.086 10 30 GGEERN N#Cc1ccc(NC(=O)CCN2CCO[C@H](CC(F)(F)F)C2)cc1Cl ZINC000595887888 567589525 /nfs/dbraw/zinc/58/95/25/567589525.db2.gz VSQUCUMOAOLFBN-CYBMUJFWSA-N 0 0 375.778 3.193 10 30 GGEERN Cc1sc(NC(=O)CN2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c(C#N)c1C ZINC000595894547 567589870 /nfs/dbraw/zinc/58/98/70/567589870.db2.gz ZXMIJRJHDQTMSO-CABZTGNLSA-N 0 0 375.416 3.217 10 30 GGEERN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCO[C@H](CC(F)(F)F)C1 ZINC000595888309 567590349 /nfs/dbraw/zinc/59/03/49/567590349.db2.gz XJLCUPKTQFXJAH-ZWNOBZJWSA-N 0 0 375.778 3.192 10 30 GGEERN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000595888308 567590458 /nfs/dbraw/zinc/59/04/58/567590458.db2.gz XJLCUPKTQFXJAH-MFKMUULPSA-N 0 0 375.778 3.192 10 30 GGEERN Cc1sc(NC(=O)CN2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c(C#N)c1C ZINC000595894546 567590517 /nfs/dbraw/zinc/59/05/17/567590517.db2.gz ZXMIJRJHDQTMSO-BXKDBHETSA-N 0 0 375.416 3.217 10 30 GGEERN C=C(C)CCN(CC)S(=O)(=O)c1ccc(I)cc1 ZINC000505689672 567591552 /nfs/dbraw/zinc/59/15/52/567591552.db2.gz JFOGAQJXPNPERM-UHFFFAOYSA-N 0 0 379.263 3.268 10 30 GGEERN CCOC(=O)c1csc([C@H](C#N)C(=O)Nc2cccc(Br)c2)n1 ZINC000505751738 567594051 /nfs/dbraw/zinc/59/40/51/567594051.db2.gz WISQSKBSYCJKJZ-LLVKDONJSA-N 0 0 394.250 3.328 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H](CCO)c2ccccc2Br)C1 ZINC000459019942 567594516 /nfs/dbraw/zinc/59/45/16/567594516.db2.gz VRBFDKJEJOXACT-XEZPLFJOSA-N 0 0 380.286 3.254 10 30 GGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1nn(C)cc1Br ZINC000459035457 567595708 /nfs/dbraw/zinc/59/57/08/567595708.db2.gz WFPHEPVPQGIKFL-UHFFFAOYSA-N 0 0 393.285 3.089 10 30 GGEERN CCN(CCC#N)C(=O)c1ccc2cc(I)ccc2n1 ZINC000480325180 567595941 /nfs/dbraw/zinc/59/59/41/567595941.db2.gz KAAOARAITMKPIL-UHFFFAOYSA-N 0 0 379.201 3.215 10 30 GGEERN Cc1cc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)sc1C ZINC000530377473 567596278 /nfs/dbraw/zinc/59/62/78/567596278.db2.gz XMYGTRIMSPWXIB-UHFFFAOYSA-N 0 0 376.503 3.469 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)c1nc(-c2cn3ccc(Br)cc3n2)no1 ZINC000664886174 567596739 /nfs/dbraw/zinc/59/67/39/567596739.db2.gz YLUHCNCADPVQSU-GFCCVEGCSA-N 0 0 390.241 3.290 10 30 GGEERN C[C@@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1ccc(C#N)cc1F ZINC000530366131 567596927 /nfs/dbraw/zinc/59/69/27/567596927.db2.gz NUKWTFAADGLQRV-QLJPJBMISA-N 0 0 376.229 3.337 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)c1nc(-c2cc(Br)c(C)nc2OC)no1 ZINC000664863973 567596985 /nfs/dbraw/zinc/59/69/85/567596985.db2.gz ZTGQIBFTPNVLRL-ZDUSSCGKSA-N 0 0 395.257 3.355 10 30 GGEERN CSCc1cc(F)ccc1CNS(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000571915550 567598185 /nfs/dbraw/zinc/59/81/85/567598185.db2.gz HYQFPVHFHDXLQF-UHFFFAOYSA-N 0 0 378.494 3.374 10 30 GGEERN C[C@@H]1[C@@H](C(F)(F)F)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000480418179 567602351 /nfs/dbraw/zinc/60/23/51/567602351.db2.gz QGUGPZNWVUALAH-PELKAZGASA-N 0 0 397.216 3.282 10 30 GGEERN C[C@@H]1[C@H](C(F)(F)F)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000480431048 567604531 /nfs/dbraw/zinc/60/45/31/567604531.db2.gz YBERBFRPUYWROG-LDYMZIIASA-N 0 0 397.216 3.282 10 30 GGEERN COc1cccc(N(CCC#N)S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000530455837 567604699 /nfs/dbraw/zinc/60/46/99/567604699.db2.gz WVNJACBLUYATOE-UHFFFAOYSA-N 0 0 375.837 3.329 10 30 GGEERN N#Cc1ccnc(C(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)c1 ZINC000505964211 567605117 /nfs/dbraw/zinc/60/51/17/567605117.db2.gz MHHDTSYPINADMM-INIZCTEOSA-N 0 0 390.212 3.069 10 30 GGEERN N#Cc1ccnc(C(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)c1 ZINC000505964212 567605352 /nfs/dbraw/zinc/60/53/52/567605352.db2.gz MHHDTSYPINADMM-MRXNPFEDSA-N 0 0 390.212 3.069 10 30 GGEERN COC(=O)c1cc(NC(=O)c2cc(C#N)cn2C)c(C)cc1Br ZINC000552759904 567608819 /nfs/dbraw/zinc/60/88/19/567608819.db2.gz CBWXRKIWHYQAFX-UHFFFAOYSA-N 0 0 376.210 3.007 10 30 GGEERN COc1ccc(Cn2oc(-c3ccc(Br)cc3)nc2=O)cc1C#N ZINC000572050518 567609506 /nfs/dbraw/zinc/60/95/06/567609506.db2.gz JTTLDJCSOXNCKW-UHFFFAOYSA-N 0 0 386.205 3.194 10 30 GGEERN N#Cc1nc(NC[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)sc1Cl ZINC000596164404 567612769 /nfs/dbraw/zinc/61/27/69/567612769.db2.gz AZJWUIGZVRBZOF-JTQLQIEISA-N 0 0 375.803 3.372 10 30 GGEERN Cc1cc2c(ncnc2N2CCN(c3nc(C#N)c(Cl)s3)CC2)s1 ZINC000596202712 567616121 /nfs/dbraw/zinc/61/61/21/567616121.db2.gz YMHZYURAZFAPFD-UHFFFAOYSA-N 0 0 376.898 3.308 10 30 GGEERN O=C(c1cscc1C(F)(F)F)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000621869010 567618186 /nfs/dbraw/zinc/61/81/86/567618186.db2.gz LLZCUDBGYQYJEV-UHFFFAOYSA-N 0 0 378.313 3.425 10 30 GGEERN COC(=O)C[C@@H](Cc1cc(F)c(F)cc1F)Nc1nc(C#N)c(Cl)s1 ZINC000596276181 567620359 /nfs/dbraw/zinc/62/03/59/567620359.db2.gz HBXQTMYDZGPYCY-MRVPVSSYSA-N 0 0 389.786 3.094 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000480686201 567620758 /nfs/dbraw/zinc/62/07/58/567620758.db2.gz CRYMQAQLXVDHBF-OCCSQVGLSA-N 0 0 378.391 3.485 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)NCc2csc(-c3ccco3)n2)c(F)c1 ZINC000480687443 567621258 /nfs/dbraw/zinc/62/12/58/567621258.db2.gz HINMXZYUZBSIDK-UHFFFAOYSA-N 0 0 377.422 3.033 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000480686200 567621330 /nfs/dbraw/zinc/62/13/30/567621330.db2.gz CRYMQAQLXVDHBF-JSGCOSHPSA-N 0 0 378.391 3.485 10 30 GGEERN C[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@@H](c2ccsc2)O1 ZINC000480694870 567621377 /nfs/dbraw/zinc/62/13/77/567621377.db2.gz QHSMATNHGUKPNJ-PXAZEXFGSA-N 0 0 380.466 3.051 10 30 GGEERN Cc1cc(CN(c2nc(C#N)c(Cl)s2)C2CC2)cc(S(N)(=O)=O)c1C ZINC000596291220 567621552 /nfs/dbraw/zinc/62/15/52/567621552.db2.gz ZPABLZABGUCZNG-UHFFFAOYSA-N 0 0 396.925 3.101 10 30 GGEERN Cc1cc(C#N)nc(NCC2(c3ccc(Br)cc3)CCOCC2)n1 ZINC000553047440 567621657 /nfs/dbraw/zinc/62/16/57/567621657.db2.gz MDJRWBLDMWLQNJ-UHFFFAOYSA-N 0 0 387.281 3.001 10 30 GGEERN Cc1ccc(Br)cc1CNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000480709193 567623422 /nfs/dbraw/zinc/62/34/22/567623422.db2.gz NGIXZBDXMWHAQG-UHFFFAOYSA-N 0 0 397.269 3.388 10 30 GGEERN C[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)c1ccc2ncsc2c1 ZINC000480710515 567623849 /nfs/dbraw/zinc/62/38/49/567623849.db2.gz DQHWNTYTTHIEKJ-NSHDSACASA-N 0 0 375.450 3.488 10 30 GGEERN CNC(=O)Cc1nc(CSCc2ccc(C#N)cc2OC(F)F)cs1 ZINC000596344752 567624917 /nfs/dbraw/zinc/62/49/17/567624917.db2.gz WELWCTYQOJQSPD-UHFFFAOYSA-N 0 0 383.445 3.338 10 30 GGEERN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)C[C@@H](OC)C1CCOCC1 ZINC000645436440 567624993 /nfs/dbraw/zinc/62/49/93/567624993.db2.gz IHVBXMOJBQVLAD-OAHLLOKOSA-N 0 0 393.958 3.161 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)NCc2ccccc2Br)c(F)c1 ZINC000480733058 567625001 /nfs/dbraw/zinc/62/50/01/567625001.db2.gz FYMSLIAUXVQABM-UHFFFAOYSA-N 0 0 383.242 3.079 10 30 GGEERN CC(C)(C)c1nc(CCNS(=O)(=O)Cc2ccc(C#N)cc2F)cs1 ZINC000480731233 567625165 /nfs/dbraw/zinc/62/51/65/567625165.db2.gz WDZLMNOUTKWIBZ-UHFFFAOYSA-N 0 0 381.498 3.113 10 30 GGEERN C[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)Oc1ccccc1Cl ZINC000480737194 567626235 /nfs/dbraw/zinc/62/62/35/567626235.db2.gz NWYBQJUVWJXDEW-LBPRGKRZSA-N 0 0 382.844 3.238 10 30 GGEERN N#Cc1cccc(CC(=O)Nc2n[nH]c(-c3ccccc3Br)n2)c1 ZINC000530913601 567631321 /nfs/dbraw/zinc/63/13/21/567631321.db2.gz IPKRAVHMHJIRNF-UHFFFAOYSA-N 0 0 382.221 3.287 10 30 GGEERN N#Cc1cccc(CC(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)c1 ZINC000530914928 567631765 /nfs/dbraw/zinc/63/17/65/567631765.db2.gz RMXINJYCNDDAKP-GOSISDBHSA-N 0 0 385.261 3.463 10 30 GGEERN N#Cc1cccc(CC(=O)Nc2ccc(F)cc2I)c1 ZINC000530936557 567633031 /nfs/dbraw/zinc/63/30/31/567633031.db2.gz KYOKMFRWRYVESC-UHFFFAOYSA-N 0 0 380.160 3.483 10 30 GGEERN C[C@H]1CC[C@H](Nc2c(Br)cc(Cl)cc2C#N)CS1(=O)=O ZINC000596464221 567634271 /nfs/dbraw/zinc/63/42/71/567634271.db2.gz IEKDPMKCUCIDPN-KWQFWETISA-N 0 0 377.691 3.352 10 30 GGEERN C[C@H]1CC[C@@H](Nc2c(Br)cc(Cl)cc2C#N)CS1(=O)=O ZINC000596464219 567634879 /nfs/dbraw/zinc/63/48/79/567634879.db2.gz IEKDPMKCUCIDPN-GZMMTYOYSA-N 0 0 377.691 3.352 10 30 GGEERN CCOCCOCCN(C)c1c(C#N)cnc2c(Br)cccc21 ZINC000440635608 567635353 /nfs/dbraw/zinc/63/53/53/567635353.db2.gz DGWPPVMHOUEHFS-UHFFFAOYSA-N 0 0 378.270 3.358 10 30 GGEERN Cn1cc(C#N)cc1C(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC000596470367 567635508 /nfs/dbraw/zinc/63/55/08/567635508.db2.gz COZITKKNBHOFBO-AWEZNQCLSA-N 0 0 376.279 3.377 10 30 GGEERN CC(C)(C)C(=O)NCCNc1c(C#N)cnc2c(Br)cccc21 ZINC000440636211 567635891 /nfs/dbraw/zinc/63/58/91/567635891.db2.gz FEXQOCPTGCVHMK-UHFFFAOYSA-N 0 0 375.270 3.443 10 30 GGEERN C[C@@H]1C[C@H]1N1C[C@@H](Nc2c(C#N)cnc3c(Br)cccc32)CC1=O ZINC000440651641 567636746 /nfs/dbraw/zinc/63/67/46/567636746.db2.gz VQQJKFAIZXZIHV-IFUGULHKSA-N 0 0 385.265 3.290 10 30 GGEERN N#Cc1cc(Cl)cc(Br)c1N1CC[C@H](CN2CCCC2=O)C1 ZINC000596525301 567637302 /nfs/dbraw/zinc/63/73/02/567637302.db2.gz MQOTXGRZCYYKER-LLVKDONJSA-N 0 0 382.689 3.423 10 30 GGEERN CC(C)C(=O)NCCN(C)c1c(C#N)cnc2c(Br)cccc21 ZINC000440641798 567637352 /nfs/dbraw/zinc/63/73/52/567637352.db2.gz BGAILOQGJNLGSD-UHFFFAOYSA-N 0 0 375.270 3.077 10 30 GGEERN N#CC1(CNc2c(F)cc(S(N)(=O)=O)cc2Br)CCCCC1 ZINC000596499773 567637484 /nfs/dbraw/zinc/63/74/84/567637484.db2.gz WHFANSNOBPSZRF-UHFFFAOYSA-N 0 0 390.278 3.122 10 30 GGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)NC1(c2cc(Br)ccc2OC)CC1 ZINC000645527034 567637675 /nfs/dbraw/zinc/63/76/75/567637675.db2.gz FJFNMKLNZCLTST-CABCVRRESA-N 0 0 395.297 3.480 10 30 GGEERN C[C@]1(C#N)CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000596541485 567638400 /nfs/dbraw/zinc/63/84/00/567638400.db2.gz YABPZAWGQWVUOG-WMLDXEAASA-N 0 0 381.263 3.044 10 30 GGEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cc(Br)ccc1O ZINC000506701334 567638703 /nfs/dbraw/zinc/63/87/03/567638703.db2.gz GFLVBBHHJCOHDO-MRXNPFEDSA-N 0 0 383.242 3.355 10 30 GGEERN CC1(C)COCCN1CCNc1c(C#N)cnc2c(Br)cccc21 ZINC000440672659 567639821 /nfs/dbraw/zinc/63/98/21/567639821.db2.gz XYSSYVYAOJBDLE-UHFFFAOYSA-N 0 0 389.297 3.392 10 30 GGEERN COC[C@H]1CN(c2c(C#N)cnc3c(Br)cccc32)C[C@@H](C)O1 ZINC000440675176 567639870 /nfs/dbraw/zinc/63/98/70/567639870.db2.gz PVPDAZHXDWBWJE-DGCLKSJQSA-N 0 0 376.254 3.109 10 30 GGEERN CCO[C@@H]1C[C@@H](Nc2c(C#N)cnc3c(Br)cccc32)[C@@H]1OC ZINC000440669813 567639932 /nfs/dbraw/zinc/63/99/32/567639932.db2.gz MNSCBUOSMVGHML-CPUCHLNUSA-N 0 0 376.254 3.473 10 30 GGEERN CCc1nc(C#N)cc(N2Cc3sc(C(=O)OC)c(Br)c3C2)n1 ZINC000596568039 567641297 /nfs/dbraw/zinc/64/12/97/567641297.db2.gz YZHLPSCPLOVGFV-UHFFFAOYSA-N 0 0 393.266 3.041 10 30 GGEERN CC#CCCNC(=O)NCc1cc(Cl)ccc1I ZINC000596576515 567641659 /nfs/dbraw/zinc/64/16/59/567641659.db2.gz FVYKPSNFQNEKIR-UHFFFAOYSA-N 0 0 376.625 3.157 10 30 GGEERN COC(=O)c1sc2c(c1Br)CN(c1nc(C#N)ccc1C)C2 ZINC000596567786 567641667 /nfs/dbraw/zinc/64/16/67/567641667.db2.gz WJPOVNUKJCPSHP-UHFFFAOYSA-N 0 0 378.251 3.393 10 30 GGEERN N#CC1(Cc2nc(-c3cn4ccc(Br)cc4n3)no2)CCOCC1 ZINC000596599950 567642911 /nfs/dbraw/zinc/64/29/11/567642911.db2.gz XPNCOJKUNXFVKM-UHFFFAOYSA-N 0 0 388.225 3.010 10 30 GGEERN N#Cc1cccc(CC(=O)N[C@H]2CCN(c3ccccc3Br)C2)c1 ZINC000531153546 567643562 /nfs/dbraw/zinc/64/35/62/567643562.db2.gz WDJWHHFPFWQOOY-INIZCTEOSA-N 0 0 384.277 3.258 10 30 GGEERN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N(C)C1(C#N)CCCC1 ZINC000506831842 567645688 /nfs/dbraw/zinc/64/56/88/567645688.db2.gz GFLIGNXKKPPXIA-UHFFFAOYSA-N 0 0 391.276 3.237 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)N[C@H](CCOC)COC ZINC000459655621 567645904 /nfs/dbraw/zinc/64/59/04/567645904.db2.gz DRWZTFHWIXDOBL-CYBMUJFWSA-N 0 0 387.274 3.187 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)N(CCOC)[C@@H]1CCOC1 ZINC000459648241 567646027 /nfs/dbraw/zinc/64/60/27/567646027.db2.gz BXVIBIZONDRVHW-CQSZACIVSA-N 0 0 399.285 3.283 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000459661785 567646915 /nfs/dbraw/zinc/64/69/15/567646915.db2.gz RTAFXIXJWJCQET-KRWDZBQOSA-N 0 0 397.269 3.037 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@H](C(=O)OC)C1 ZINC000459659929 567647031 /nfs/dbraw/zinc/64/70/31/567647031.db2.gz NKFANAKAJKQLRR-LBPRGKRZSA-N 0 0 397.269 3.431 10 30 GGEERN COc1cc(CNC(=O)NCC2(C#N)CCCCC2)c(Br)cc1O ZINC000596644834 567647300 /nfs/dbraw/zinc/64/73/00/567647300.db2.gz RFILBSWPQAUPFE-UHFFFAOYSA-N 0 0 396.285 3.437 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000459661416 567647374 /nfs/dbraw/zinc/64/73/74/567647374.db2.gz QLVTUJSIEJOXHF-VXGBXAGGSA-N 0 0 396.285 3.132 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@]2(CCOC2)C1 ZINC000459661787 567647626 /nfs/dbraw/zinc/64/76/26/567647626.db2.gz RTAFXIXJWJCQET-QGZVFWFLSA-N 0 0 397.269 3.037 10 30 GGEERN CC#CCN(C)C(=O)NCc1cc(Cl)ccc1I ZINC000596674660 567647996 /nfs/dbraw/zinc/64/79/96/567647996.db2.gz SHJGGTKUGQJNOB-UHFFFAOYSA-N 0 0 376.625 3.109 10 30 GGEERN COc1ccc([C@@H](C)NC(=O)CC2(C#N)CCOCC2)cc1Br ZINC000596674138 567648092 /nfs/dbraw/zinc/64/80/92/567648092.db2.gz FQFDMGRZISDYEC-GFCCVEGCSA-N 0 0 381.270 3.345 10 30 GGEERN C=CCOc1c(Br)cc(C[NH2+]CCc2cn(C)cn2)cc1OCC ZINC000459671285 567648363 /nfs/dbraw/zinc/64/83/63/567648363.db2.gz WHWZFAVCKFVRAN-UHFFFAOYSA-N 0 0 394.313 3.478 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)N(CC)Cc1cn(C)nn1 ZINC000459663236 567648459 /nfs/dbraw/zinc/64/84/59/567648459.db2.gz WMDALQDRJMZPKO-UHFFFAOYSA-N 0 0 394.273 3.196 10 30 GGEERN Cc1c(Br)cncc1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000596689045 567649312 /nfs/dbraw/zinc/64/93/12/567649312.db2.gz LNYPQATUMKEDAM-GOSISDBHSA-N 0 0 399.292 3.175 10 30 GGEERN C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000596734558 567650640 /nfs/dbraw/zinc/65/06/40/567650640.db2.gz GQRQTNSEASKEQW-MCIONIFRSA-N 0 0 381.523 3.168 10 30 GGEERN CCON1CCC(CC(=O)N[C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000596730938 567650747 /nfs/dbraw/zinc/65/07/47/567650747.db2.gz NYWQUPJFTKMOFO-MRXNPFEDSA-N 0 0 380.286 3.184 10 30 GGEERN C=CCCSCCNC(=O)N1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000596716831 567650861 /nfs/dbraw/zinc/65/08/61/567650861.db2.gz BLBWILFYUKJEFK-ZDUSSCGKSA-N 0 0 383.539 3.128 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)NCc2cc(Br)cs2)c(F)c1 ZINC000481018117 567651601 /nfs/dbraw/zinc/65/16/01/567651601.db2.gz DRTNFRQDZNZJOZ-UHFFFAOYSA-N 0 0 389.271 3.141 10 30 GGEERN CS(=O)(=O)Nc1ccc(NC(=O)NCC2(C#N)CCCCC2)cc1Cl ZINC000596752710 567652145 /nfs/dbraw/zinc/65/21/45/567652145.db2.gz HLHHDFVTAJSYFE-UHFFFAOYSA-N 0 0 384.889 3.307 10 30 GGEERN N#CCC1CN(C(=O)Nc2cc(Br)cnc2OCC(F)(F)F)C1 ZINC000596746262 567652282 /nfs/dbraw/zinc/65/22/82/567652282.db2.gz JTSNEBRIPBWKRI-UHFFFAOYSA-N 0 0 393.163 3.163 10 30 GGEERN COC(=O)c1cc(NC(=O)N2CC[C@@](C)(C#N)C2)c(Br)cc1F ZINC000596772987 567652718 /nfs/dbraw/zinc/65/27/18/567652718.db2.gz SWVLGUULVJBZAJ-HNNXBMFYSA-N 0 0 384.205 3.142 10 30 GGEERN N#CCC1CN(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)C1 ZINC000596770835 567652968 /nfs/dbraw/zinc/65/29/68/567652968.db2.gz WREBWVHMLJRTAR-UHFFFAOYSA-N 0 0 388.269 3.266 10 30 GGEERN N#C[C@]1(F)CCN(C(=O)N[C@H]2CSCc3ccc(Br)cc32)C1 ZINC000596802333 567654079 /nfs/dbraw/zinc/65/40/79/567654079.db2.gz YDVRNQXNRZDCGO-DZGCQCFKSA-N 0 0 384.274 3.384 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N(CC)Cc1cc(Br)ccc1F ZINC000666087008 567654597 /nfs/dbraw/zinc/65/45/97/567654597.db2.gz LLDRJAKLZJKVOY-INIZCTEOSA-N 0 0 385.277 3.408 10 30 GGEERN Cc1cc(C#N)nc(N2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000553452492 567655337 /nfs/dbraw/zinc/65/53/37/567655337.db2.gz USAMULJJOYLTSP-UHFFFAOYSA-N 0 0 376.291 3.328 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)NCc2cccc(Br)c2)c(F)c1 ZINC000481070787 567655566 /nfs/dbraw/zinc/65/55/66/567655566.db2.gz KKZHGFJUWFLMSU-UHFFFAOYSA-N 0 0 383.242 3.079 10 30 GGEERN CN(Cc1nc(-c2cccnc2)no1)Cc1ccc(C#N)cc1Br ZINC000481084734 567656957 /nfs/dbraw/zinc/65/69/57/567656957.db2.gz ZWGOJWPGSQTCIW-UHFFFAOYSA-N 0 0 384.237 3.398 10 30 GGEERN C[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)Oc1cccc(Cl)c1 ZINC000481078919 567656981 /nfs/dbraw/zinc/65/69/81/567656981.db2.gz WHUVAFADXRBTAL-GFCCVEGCSA-N 0 0 382.844 3.238 10 30 GGEERN COCCOc1ccc(Br)cc1NC(=O)N1CC[C@](C)(C#N)C1 ZINC000596826875 567657143 /nfs/dbraw/zinc/65/71/43/567657143.db2.gz YPWPPCNGORSWTQ-MRXNPFEDSA-N 0 0 382.258 3.242 10 30 GGEERN N#Cc1cccc(CC(=O)N(CCO)Cc2cc(Br)ccc2F)c1 ZINC000531396019 567657310 /nfs/dbraw/zinc/65/73/10/567657310.db2.gz WVKOVAWJKPBHEE-UHFFFAOYSA-N 0 0 391.240 3.023 10 30 GGEERN CO[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000481079885 567657336 /nfs/dbraw/zinc/65/73/36/567657336.db2.gz XNJLOFIKLLRHNL-KRWDZBQOSA-N 0 0 382.844 3.158 10 30 GGEERN N#CCCN(CC1CC1)S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000553481348 567657828 /nfs/dbraw/zinc/65/78/28/567657828.db2.gz MSLHZHIVOSWSMW-UHFFFAOYSA-N 0 0 394.294 3.312 10 30 GGEERN C[C@@]1(C#N)CCN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000596853625 567658497 /nfs/dbraw/zinc/65/84/97/567658497.db2.gz IOXWCSAYEUAWCK-KRWDZBQOSA-N 0 0 388.269 3.461 10 30 GGEERN C[C@]1(C#N)CCN(C(=O)Nc2ccnn2Cc2cccc(Br)c2)C1 ZINC000596853627 567658747 /nfs/dbraw/zinc/65/87/47/567658747.db2.gz IOXWCSAYEUAWCK-QGZVFWFLSA-N 0 0 388.269 3.461 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc(-c2ccc(SC)cc2)ns1 ZINC000622816905 567659077 /nfs/dbraw/zinc/65/90/77/567659077.db2.gz RQSSITLSVBYYEO-CQSZACIVSA-N 0 0 376.507 3.336 10 30 GGEERN N#CC1(CNC(=O)N[C@H](CO)c2cccc(Br)c2)CCCCC1 ZINC000596861562 567660131 /nfs/dbraw/zinc/66/01/31/567660131.db2.gz MNCNQYCNRXJJTP-OAHLLOKOSA-N 0 0 380.286 3.256 10 30 GGEERN C=CCOCCCNC(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 ZINC000596875018 567661058 /nfs/dbraw/zinc/66/10/58/567661058.db2.gz ANQNLSHKMTUYHS-UHFFFAOYSA-N 0 0 389.221 3.089 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(Br)cc2nc(C)oc21 ZINC000622847021 567661737 /nfs/dbraw/zinc/66/17/37/567661737.db2.gz DUYKOGVDVNBWSK-CQSZACIVSA-N 0 0 380.242 3.308 10 30 GGEERN COc1ccc(CCC(=O)Nc2cc(C)nn2CCC#N)c(Br)c1 ZINC000596896337 567662050 /nfs/dbraw/zinc/66/20/50/567662050.db2.gz ZGBPCJHDZXSVSK-UHFFFAOYSA-N 0 0 391.269 3.448 10 30 GGEERN COc1cc(Br)c(NC(=O)CC2(C#N)CCOCC2)cc1OC ZINC000596892676 567662270 /nfs/dbraw/zinc/66/22/70/567662270.db2.gz ASZCJTLRNRQBEC-UHFFFAOYSA-N 0 0 383.242 3.115 10 30 GGEERN N#Cc1c(Br)cccc1S(=O)(=O)N[C@H](c1cccnc1)C1CC1 ZINC000553533092 567662305 /nfs/dbraw/zinc/66/23/05/567662305.db2.gz ILQVPDABRVJVBH-INIZCTEOSA-N 0 0 392.278 3.145 10 30 GGEERN CN(CC(C)(C)C#N)C(=O)NCCc1ccc(I)cc1 ZINC000596899745 567662454 /nfs/dbraw/zinc/66/24/54/567662454.db2.gz SJOXKWIFZMWZTJ-UHFFFAOYSA-N 0 0 385.249 3.025 10 30 GGEERN C[C@@H]1[C@@H](C(F)(F)F)CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000553528933 567662978 /nfs/dbraw/zinc/66/29/78/567662978.db2.gz GYCCRPHLCOTAAE-SCZZXKLOSA-N 0 0 397.216 3.282 10 30 GGEERN CO[C@@H]1CCC[C@@H]([C@H](CO)NC(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000596903955 567663540 /nfs/dbraw/zinc/66/35/40/567663540.db2.gz KDHFFUMPPCEJGL-XFJVYGCCSA-N 0 0 396.285 3.008 10 30 GGEERN COC(=O)c1cc(NC(=O)N2CC[C@](C)(C#N)C2)c(C)cc1Br ZINC000596906117 567663560 /nfs/dbraw/zinc/66/35/60/567663560.db2.gz WHLZYXOAGHTHGS-MRXNPFEDSA-N 0 0 380.242 3.312 10 30 GGEERN CO[C@@H]1CCC[C@@H]([C@@H](CO)NC(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000596903951 567663646 /nfs/dbraw/zinc/66/36/46/567663646.db2.gz KDHFFUMPPCEJGL-DJSGYFEHSA-N 0 0 396.285 3.008 10 30 GGEERN N#Cc1cscc1C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000459873601 567663853 /nfs/dbraw/zinc/66/38/53/567663853.db2.gz IXSKHFYDQSWEIK-UHFFFAOYSA-N 0 0 392.278 3.471 10 30 GGEERN CCOC(=O)c1c(NC(=O)c2ccc(C#N)n2C)sc2c1CCSC2 ZINC000459892554 567664290 /nfs/dbraw/zinc/66/42/90/567664290.db2.gz SXZQCXPPWSUAAH-UHFFFAOYSA-N 0 0 375.475 3.177 10 30 GGEERN COc1cc(I)ccc1NC(=O)N1CC[C@](C)(C#N)C1 ZINC000596923955 567665462 /nfs/dbraw/zinc/66/54/62/567665462.db2.gz KEDCBBVPQMEBSV-CQSZACIVSA-N 0 0 385.205 3.067 10 30 GGEERN N#C[C@@H]1CN(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)CCO1 ZINC000596925503 567665841 /nfs/dbraw/zinc/66/58/41/567665841.db2.gz FKEGHDAOVQTSHN-GDBMZVCRSA-N 0 0 378.270 3.151 10 30 GGEERN N#C[C@H]1CN(Cc2c(F)cncc2Br)CCN1Cc1ccccc1 ZINC000596978473 567668134 /nfs/dbraw/zinc/66/81/34/567668134.db2.gz ZLUZGMJGUGSBOX-HNNXBMFYSA-N 0 0 389.272 3.193 10 30 GGEERN CSCCCCCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000481273203 567668325 /nfs/dbraw/zinc/66/83/25/567668325.db2.gz IITPOMXUWDWPEX-UHFFFAOYSA-N 0 0 377.901 3.474 10 30 GGEERN N#C[C@H](c1ccccc1)N1CCN(Cc2c(F)cncc2Br)CC1 ZINC000596986929 567668764 /nfs/dbraw/zinc/66/87/64/567668764.db2.gz ZAQNCQLBTWVOER-GOSISDBHSA-N 0 0 389.272 3.366 10 30 GGEERN N#Cc1cscc1C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000460004543 567669398 /nfs/dbraw/zinc/66/93/98/567669398.db2.gz AYBULNOIZSUGNG-UHFFFAOYSA-N 0 0 375.475 3.047 10 30 GGEERN Cc1cc(Br)cc(C)c1S(=O)(=O)NCc1ccc(C#N)cc1 ZINC000507274948 567672713 /nfs/dbraw/zinc/67/27/13/567672713.db2.gz ATASKYQFMSRKFO-UHFFFAOYSA-N 0 0 379.279 3.416 10 30 GGEERN Cc1ccc(I)c(C(=O)Nc2cc(CC#N)ccn2)c1 ZINC000531670487 567672927 /nfs/dbraw/zinc/67/29/27/567672927.db2.gz QMWVVYGSKJVQAI-UHFFFAOYSA-N 0 0 377.185 3.313 10 30 GGEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccc(O)c(Br)c1 ZINC000507312008 567673533 /nfs/dbraw/zinc/67/35/33/567673533.db2.gz IMRLAQBQKVKHNP-QGZVFWFLSA-N 0 0 397.269 3.033 10 30 GGEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccc(O)c(Br)c1 ZINC000507312007 567673674 /nfs/dbraw/zinc/67/36/74/567673674.db2.gz IMRLAQBQKVKHNP-KRWDZBQOSA-N 0 0 397.269 3.033 10 30 GGEERN C=CC[C@@H](CO)CNC(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC000666401788 567675180 /nfs/dbraw/zinc/67/51/80/567675180.db2.gz OXHSDZBYZJMVSF-ABAIWWIYSA-N 0 0 385.327 3.221 10 30 GGEERN C[C@@H](C#N)CN(C(=O)C(=O)Nc1ccc(Br)c(Cl)c1)C1CC1 ZINC000441932824 567677811 /nfs/dbraw/zinc/67/78/11/567677811.db2.gz PPVBPZWHFSJKMH-VIFPVBQESA-N 0 0 384.661 3.192 10 30 GGEERN C[C@@H](CC#N)C(=O)Nc1cc(Br)ccc1Sc1nncn1C ZINC000597049197 567678837 /nfs/dbraw/zinc/67/88/37/567678837.db2.gz PSCVNXSGZKUTLG-VIFPVBQESA-N 0 0 380.271 3.217 10 30 GGEERN C[C@@H](C#N)CN(C(=O)C(=O)Nc1ccc(Cl)cc1Br)C1CC1 ZINC000441945051 567678894 /nfs/dbraw/zinc/67/88/94/567678894.db2.gz YTBUHPSSGSPHGD-VIFPVBQESA-N 0 0 384.661 3.192 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)cn1 ZINC000507479674 567682708 /nfs/dbraw/zinc/68/27/08/567682708.db2.gz GUNIUZHAPJPZQQ-ZDUSSCGKSA-N 0 0 379.844 3.142 10 30 GGEERN N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000597153698 567684935 /nfs/dbraw/zinc/68/49/35/567684935.db2.gz KQKXEXXRXBHRLS-MUQADHOPSA-N 0 0 388.309 3.204 10 30 GGEERN N#CC1(CC(=O)Nc2cc(Br)ccc2-n2cccn2)CCOCC1 ZINC000597187959 567686437 /nfs/dbraw/zinc/68/64/37/567686437.db2.gz UJMUCIRJMOMKLB-UHFFFAOYSA-N 0 0 389.253 3.284 10 30 GGEERN CCOC(=O)COc1c(Br)cc(C)cc1CN1CC[C@@](C)(C#N)C1 ZINC000597229458 567689919 /nfs/dbraw/zinc/68/99/19/567689919.db2.gz AQRWZMWKSHULFB-SFHVURJKSA-N 0 0 395.297 3.435 10 30 GGEERN C=CCN(C(=O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F)C1CC1 ZINC000442417266 567692755 /nfs/dbraw/zinc/69/27/55/567692755.db2.gz 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/nfs/dbraw/zinc/77/20/71/567772071.db2.gz NQGBWQXXGSZKFH-UHFFFAOYSA-N 0 0 396.264 3.158 10 30 GGEERN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H](OC)[C@@H]1CCOC1 ZINC000667739622 567772159 /nfs/dbraw/zinc/77/21/59/567772159.db2.gz ZUICOZBFUBPQGW-MLGOLLRUSA-N 0 0 386.261 3.154 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCO[C@H](CC(F)(F)F)C1 ZINC000598507996 567772591 /nfs/dbraw/zinc/77/25/91/567772591.db2.gz ANUCUOGRXDTXMN-CYBMUJFWSA-N 0 0 391.187 3.043 10 30 GGEERN C[C@H](C(=O)N(c1nccs1)c1ccc(F)c(Cl)c1)n1cnc(C#N)n1 ZINC000462112401 567775055 /nfs/dbraw/zinc/77/50/55/567775055.db2.gz QSMHDLGLBFHVCJ-SECBINFHSA-N 0 0 376.804 3.325 10 30 GGEERN COCC1(NC(=O)COc2cccc(Br)c2C#N)CCCCC1 ZINC000598550447 567775679 /nfs/dbraw/zinc/77/56/79/567775679.db2.gz ILASLEUKFVOTJE-UHFFFAOYSA-N 0 0 381.270 3.165 10 30 GGEERN N#CC1(CS(=O)(=O)N2CCC[C@@H]2c2ccc(Br)cn2)CCCC1 ZINC000574383732 567775923 /nfs/dbraw/zinc/77/59/23/567775923.db2.gz AJKRILLXMGSWNQ-OAHLLOKOSA-N 0 0 398.326 3.395 10 30 GGEERN C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H]1CCCO1 ZINC000555256040 567776286 /nfs/dbraw/zinc/77/62/86/567776286.db2.gz DNKVCTKORPNMMV-AWEZNQCLSA-N 0 0 394.317 3.237 10 30 GGEERN Cc1cc(I)ccc1NC(=O)CN(C[C@@H](C)C#N)C1CC1 ZINC000533598579 567777540 /nfs/dbraw/zinc/77/75/40/567777540.db2.gz BUZMYJBATHKZHF-NSHDSACASA-N 0 0 397.260 3.162 10 30 GGEERN C[C@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)C[C@@](C)(C(F)F)O1 ZINC000598574777 567777626 /nfs/dbraw/zinc/77/76/26/567777626.db2.gz VVCASRGHQYVHFM-QFYYESIMSA-N 0 0 387.224 3.134 10 30 GGEERN C[C@H](C#N)CN(C[C@@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000533596912 567777736 /nfs/dbraw/zinc/77/77/36/567777736.db2.gz RWNQBDOHHDXELT-BXUZGUMPSA-N 0 0 387.705 3.466 10 30 GGEERN C[C@@H](C#N)CN(C[C@@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000533596919 567777912 /nfs/dbraw/zinc/77/79/12/567777912.db2.gz RWNQBDOHHDXELT-SMDDNHRTSA-N 0 0 387.705 3.466 10 30 GGEERN COc1nc(C)cc(C)c1CN(C)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000598627385 567779780 /nfs/dbraw/zinc/77/97/80/567779780.db2.gz 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N#Cc1ccnc(C(=O)NC2(c3cccc(Br)c3)CCOCC2)c1 ZINC000598811578 567792507 /nfs/dbraw/zinc/79/25/07/567792507.db2.gz XMMHXXFWVHCANF-UHFFFAOYSA-N 0 0 386.249 3.151 10 30 GGEERN COC(=O)c1ccc(Br)c(C)c1NC(=O)CC1(C#N)CCOCC1 ZINC000598815226 567792570 /nfs/dbraw/zinc/79/25/70/567792570.db2.gz KCDOTBQRHOYUMR-UHFFFAOYSA-N 0 0 395.253 3.193 10 30 GGEERN N#Cc1cc(NC(=O)c2ccnn2C2CCOCC2)ccc1Br ZINC000598837795 567793283 /nfs/dbraw/zinc/79/32/83/567793283.db2.gz GVNHUMIIVHHNQO-UHFFFAOYSA-N 0 0 375.226 3.121 10 30 GGEERN N#CC1(CC(=O)Nc2ccc3nccnc3c2Br)CCOCC1 ZINC000598836254 567793314 /nfs/dbraw/zinc/79/33/14/567793314.db2.gz DUSABWPEOZOTDJ-UHFFFAOYSA-N 0 0 375.226 3.041 10 30 GGEERN CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCc1ccc(Cl)cc1Cl ZINC000555634653 567793337 /nfs/dbraw/zinc/79/33/37/567793337.db2.gz XVYRZFFMPOIOPV-UHFFFAOYSA-N 0 0 376.243 3.140 10 30 GGEERN COc1cc(CNC(=O)Cc2ccc(F)cc2Br)ccc1C#N ZINC000574730608 567794215 /nfs/dbraw/zinc/79/42/15/567794215.db2.gz ZTTJKWFVWCEPTL-UHFFFAOYSA-N 0 0 377.213 3.327 10 30 GGEERN CC(C)(NC(=O)CS(=O)(=O)Cc1ccc(Cl)s1)c1cccc(C#N)c1 ZINC000598860703 567795301 /nfs/dbraw/zinc/79/53/01/567795301.db2.gz YMHXNMVFBBGLNO-UHFFFAOYSA-N 0 0 396.921 3.239 10 30 GGEERN N#CC1(CC(=O)N2CCOc3cc(F)c(Br)cc32)CCOCC1 ZINC000598849065 567795423 /nfs/dbraw/zinc/79/54/23/567795423.db2.gz XLLMPAADBTZKLJ-UHFFFAOYSA-N 0 0 383.217 3.024 10 30 GGEERN CCCc1nccnc1NC(=O)COc1cccc(Br)c1C#N ZINC000598877599 567795875 /nfs/dbraw/zinc/79/58/75/567795875.db2.gz FSSULMRLIUWGAB-UHFFFAOYSA-N 0 0 375.226 3.081 10 30 GGEERN Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)c2ccc(Br)cc2C#N)cn1 ZINC000598868520 567796257 /nfs/dbraw/zinc/79/62/57/567796257.db2.gz CLXQOZXVBSMRPJ-SUMWQHHRSA-N 0 0 387.281 3.195 10 30 GGEERN N#C[C@@H](NC(=O)[C@@H]1CCCN1c1nccs1)c1ccccc1Br ZINC000598879333 567797131 /nfs/dbraw/zinc/79/71/31/567797131.db2.gz PJNVBSSDPRDKEN-KGLIPLIRSA-N 0 0 391.294 3.255 10 30 GGEERN N#C[C@H](NC(=O)[C@@H]1CCCN1CC(F)(F)F)c1ccccc1Br ZINC000598878599 567797184 /nfs/dbraw/zinc/79/71/84/567797184.db2.gz GQTQYVUMHZTFMZ-STQMWFEESA-N 0 0 390.203 3.157 10 30 GGEERN C[C@H]1CN(C(=O)CC2(C#N)CCOCC2)c2ccc(Br)cc2O1 ZINC000598891407 567797908 /nfs/dbraw/zinc/79/79/08/567797908.db2.gz RFTWUAJDPJLUTO-LBPRGKRZSA-N 0 0 379.254 3.273 10 30 GGEERN C[C@@H]1CN(C(=O)CC2(C#N)CCOCC2)c2ccc(Br)cc2O1 ZINC000598891406 567797921 /nfs/dbraw/zinc/79/79/21/567797921.db2.gz RFTWUAJDPJLUTO-GFCCVEGCSA-N 0 0 379.254 3.273 10 30 GGEERN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)CC1(OCC)CCOCC1 ZINC000624798588 567801183 /nfs/dbraw/zinc/80/11/83/567801183.db2.gz LRMBRJKXHXFQCK-UHFFFAOYSA-N 0 0 393.958 3.305 10 30 GGEERN C=CCN(Cc1cccs1)S(=O)(=O)C[C@@H](Cc1ccc(F)cc1)OC ZINC000624816173 567802139 /nfs/dbraw/zinc/80/21/39/567802139.db2.gz BKQIKJUBNIXCAU-QGZVFWFLSA-N 0 0 383.510 3.463 10 30 GGEERN C=CCn1c(COC)nnc1N1CCc2ccc(F)c(Br)c2C1 ZINC000624821587 567802219 /nfs/dbraw/zinc/80/22/19/567802219.db2.gz DEEMYFNDQIQODE-UHFFFAOYSA-N 0 0 381.249 3.075 10 30 GGEERN C=CCn1c(COC)nnc1N1CCc2cc(F)cc(Br)c2C1 ZINC000624821674 567802270 /nfs/dbraw/zinc/80/22/70/567802270.db2.gz GAJXLVUJFPSIJQ-UHFFFAOYSA-N 0 0 381.249 3.075 10 30 GGEERN CCS(=O)(=O)c1cccc(C(=O)Nc2nc(C)c(SCC#N)s2)c1 ZINC000534221473 567803905 /nfs/dbraw/zinc/80/39/05/567803905.db2.gz XQFYCTVJWGQCAN-UHFFFAOYSA-N 0 0 381.504 3.113 10 30 GGEERN COC(=O)[C@H](C[C@@H]1CCCOC1)Nc1cc(Br)c(C#N)cc1F ZINC000599165622 567808711 /nfs/dbraw/zinc/80/87/11/567808711.db2.gz OQRPQEBTNVUDHH-BONVTDFDSA-N 0 0 385.233 3.230 10 30 GGEERN N#Cc1ccc(NC[C@H]2CN(Cc3ccncc3)CCO2)c(Br)c1 ZINC000599183101 567809429 /nfs/dbraw/zinc/80/94/29/567809429.db2.gz GTMKDNQFYKASPD-INIZCTEOSA-N 0 0 387.281 3.029 10 30 GGEERN Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCc2c(CC#N)cccc2C1 ZINC000599207244 567810348 /nfs/dbraw/zinc/81/03/48/567810348.db2.gz SYISXKFGCCACBM-UHFFFAOYSA-N 0 0 397.280 3.201 10 30 GGEERN Cc1cc(C(=O)Nc2nc(C)c(SCC#N)s2)nn1C1CCOCC1 ZINC000599250062 567811461 /nfs/dbraw/zinc/81/14/61/567811461.db2.gz ZPPJVFJNUOWVHB-UHFFFAOYSA-N 0 0 377.495 3.176 10 30 GGEERN C=CCOc1ccc(CN2CC[C@](C(=O)NC)(C(F)(F)F)C2)cc1Cl ZINC000648073622 567813034 /nfs/dbraw/zinc/81/30/34/567813034.db2.gz RFUHJUREEMWISW-INIZCTEOSA-N 0 0 376.806 3.405 10 30 GGEERN N#C[C@@H](NC(=O)c1ccc(C(=O)NC2CC2)cc1)c1ccc(Br)cc1 ZINC000534500512 567813212 /nfs/dbraw/zinc/81/32/12/567813212.db2.gz OYXIENIZXTXLBG-QGZVFWFLSA-N 0 0 398.260 3.336 10 30 GGEERN C=CCOc1c(Br)cc(CN2C[C@H]3COC[C@]3(C)C2)cc1OC ZINC000668595398 567814249 /nfs/dbraw/zinc/81/42/49/567814249.db2.gz NDWOIPSJESCQRF-KSSFIOAISA-N 0 0 382.298 3.491 10 30 GGEERN COc1ccc(C(=O)N=C(NCc2cccnc2)Nc2ccccc2)cc1OC ZINC000046127025 570210303 /nfs/dbraw/zinc/21/03/03/570210303.db2.gz QVQSTACRLJPGNP-UHFFFAOYSA-N 0 0 390.443 3.497 10 30 GGEERN COc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccccc2)cc1OC ZINC000046128831 570210782 /nfs/dbraw/zinc/21/07/82/570210782.db2.gz NUQJVUUNYHLHRY-QGZVFWFLSA-N 0 0 383.448 3.081 10 30 GGEERN CCOc1ccc(NC(=NC(=O)c2cccc(OC)c2)NC[C@H]2CCCO2)cc1 ZINC000046129057 570210847 /nfs/dbraw/zinc/21/08/47/570210847.db2.gz CZZTYONHMQVKDS-HXUWFJFHSA-N 0 0 397.475 3.471 10 30 GGEERN CC(=O)Nc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccccc2C)c1 ZINC000046129345 570211172 /nfs/dbraw/zinc/21/11/72/570211172.db2.gz XKYXMTZXESOEMM-LJQANCHMSA-N 0 0 394.475 3.330 10 30 GGEERN Cc1ccc(C)c(NC(=NC(=O)c2ccc3c(c2)OCO3)NC[C@H]2CCCO2)c1 ZINC000046130143 570211280 /nfs/dbraw/zinc/21/12/80/570211280.db2.gz IJWREBSPDXGXDY-QGZVFWFLSA-N 0 0 395.459 3.409 10 30 GGEERN COC(=O)c1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cccc(C)c2)cc1 ZINC000046130540 570211670 /nfs/dbraw/zinc/21/16/70/570211670.db2.gz WRHYWRXKNWUOPM-IBGZPJMESA-N 0 0 395.459 3.159 10 30 GGEERN O=C(N=C(NC[C@H]1CCCO1)Nc1cccc(F)c1)c1ccc(F)c(F)c1 ZINC000046131854 570212176 /nfs/dbraw/zinc/21/21/76/570212176.db2.gz KHNHQVKXHLVBGU-OAHLLOKOSA-N 0 0 377.366 3.481 10 30 GGEERN Cc1ccc(C(=O)N=C(NCCN2CCOCC2)Nc2ccc(C)cc2C)cc1 ZINC000046133990 570212421 /nfs/dbraw/zinc/21/24/21/570212421.db2.gz PBEHYBJIDQXTMO-UHFFFAOYSA-N 0 0 394.519 3.142 10 30 GGEERN Cc1cccc(C(=O)N=C(NCCN2CCOCC2)Nc2cccc(C)c2C)c1 ZINC000046134619 570212624 /nfs/dbraw/zinc/21/26/24/570212624.db2.gz BPWRPLCYOSQLQT-UHFFFAOYSA-N 0 0 394.519 3.142 10 30 GGEERN CCc1ccccc1NC(=NC(=O)c1ccc(C)cc1)NCCN1CCOCC1 ZINC000046134441 570212658 /nfs/dbraw/zinc/21/26/58/570212658.db2.gz BHPJZSREEODJNI-UHFFFAOYSA-N 0 0 394.519 3.088 10 30 GGEERN COc1cc(NC(=NC(=O)c2cccc(C)c2)NC[C@H]2CCCO2)cc(OC)c1 ZINC000046132444 570212990 /nfs/dbraw/zinc/21/29/90/570212990.db2.gz MBPYHUCVNMCRMK-GOSISDBHSA-N 0 0 397.475 3.389 10 30 GGEERN COc1cc(NC(=NC(=O)c2cccc(C)c2)NC[C@@H]2CCCO2)cc(OC)c1 ZINC000046132439 570213012 /nfs/dbraw/zinc/21/30/12/570213012.db2.gz MBPYHUCVNMCRMK-SFHVURJKSA-N 0 0 397.475 3.389 10 30 GGEERN CCc1ccc(NC(=NC(=O)c2cccc(C)c2)NCCN2CCOCC2)cc1 ZINC000046140740 570213028 /nfs/dbraw/zinc/21/30/28/570213028.db2.gz MOAYOKPKULTENG-UHFFFAOYSA-N 0 0 394.519 3.088 10 30 GGEERN O=C(N=C(NC[C@@H]1CCCO1)Nc1cc(F)cc(F)c1)c1cccc(F)c1 ZINC000046133156 570213448 /nfs/dbraw/zinc/21/34/48/570213448.db2.gz IMFOMBMVJDYRKY-KRWDZBQOSA-N 0 0 377.366 3.481 10 30 GGEERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000048288272 570228044 /nfs/dbraw/zinc/22/80/44/570228044.db2.gz NYHHYXGBRQNGBJ-OAHLLOKOSA-N 0 0 377.400 3.162 10 30 GGEERN C=CCN1C(=O)[C@@]2(c3ccccc3-c3oc(N)nc32)C(C(=O)OC(C)(C)C)=C1C ZINC000020569064 570283708 /nfs/dbraw/zinc/28/37/08/570283708.db2.gz VVCJOOSTOIPEFF-QFIPXVFZSA-N 0 0 393.443 3.167 10 30 GGEERN CCOC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 ZINC000012893051 570286512 /nfs/dbraw/zinc/28/65/12/570286512.db2.gz RVGGKFVOSXEYQT-MRXNPFEDSA-N 0 0 384.819 3.394 10 30 GGEERN CCCCN(C(=O)CN(C)S(=O)(=O)c1ccccc1C#N)c1ccccc1 ZINC000012912438 570291465 /nfs/dbraw/zinc/29/14/65/570291465.db2.gz UAYIBTNIEYRFLI-UHFFFAOYSA-N 0 0 385.489 3.012 10 30 GGEERN C=CCN(CC=C)CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O ZINC000023762966 570300869 /nfs/dbraw/zinc/30/08/69/570300869.db2.gz MVQWOHJIFBBGFN-UHFFFAOYSA-N 0 0 389.499 3.394 10 30 GGEERN N#Cc1cc([N+](=O)[O-])ccc1N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000023381254 570322612 /nfs/dbraw/zinc/32/26/12/570322612.db2.gz CBKXZKIFPWVRAF-UHFFFAOYSA-N 0 0 377.326 3.207 10 30 GGEERN O=C(Nc1n[nH]c(-c2ccccn2)n1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000053526514 570325271 /nfs/dbraw/zinc/32/52/71/570325271.db2.gz VCEMBBDBGUJMOH-LBPRGKRZSA-N 0 0 382.449 3.069 10 30 GGEERN CC1(C)OC(=O)C(N=Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)O1 ZINC000003169989 570331274 /nfs/dbraw/zinc/33/12/74/570331274.db2.gz PJCXTWNAOUKIFL-UHFFFAOYSA-N 0 0 384.232 3.328 10 30 GGEERN COc1cccc(/N=C2/S[C@H](C(=O)Nc3ccccc3OC)CC(=O)N2C)c1 ZINC000100369454 570355120 /nfs/dbraw/zinc/35/51/20/570355120.db2.gz BSPKIIPGXPCTJH-UAFUQJIBSA-N 0 0 399.472 3.294 10 30 GGEERN CC[NH+](CC)CCOc1ccc(C=NNc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000252509145 570442894 /nfs/dbraw/zinc/44/28/94/570442894.db2.gz YDFHLFSNYFUFSO-HMMYKYKNSA-N 0 0 391.493 3.100 10 30 GGEERN CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(OCC(=O)N(C)C)c1 ZINC000044486531 570451457 /nfs/dbraw/zinc/45/14/57/570451457.db2.gz NFVMIQBGDUYWFV-UHFFFAOYSA-N 0 0 379.460 3.078 10 30 GGEERN CC(=O)N1CCC(C(=O)OCCOc2ccc(C#N)cc2)(c2ccccc2)CC1 ZINC000035828351 570459746 /nfs/dbraw/zinc/45/97/46/570459746.db2.gz YVOPPEROBVLGAV-UHFFFAOYSA-N 0 0 392.455 3.061 10 30 GGEERN Cc1c(C(=O)OCC(=O)N(CCC#N)c2ccccc2F)cccc1[N+](=O)[O-] ZINC000028429591 570460087 /nfs/dbraw/zinc/46/00/87/570460087.db2.gz YHZDTWAMYUATSM-UHFFFAOYSA-N 0 0 385.351 3.146 10 30 GGEERN Cc1cccc(N2CCN(C(=O)c3ccc(NC(=O)CC#N)cc3)C[C@@H]2C)c1 ZINC000006509734 570461859 /nfs/dbraw/zinc/46/18/59/570461859.db2.gz VFDSHLJKMKMHPF-KRWDZBQOSA-N 0 0 376.460 3.198 10 30 GGEERN CCc1noc(C)c1C(=O)OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000006510257 570462461 /nfs/dbraw/zinc/46/24/61/570462461.db2.gz VHRLFGSSLBNTCB-SNVBAGLBSA-N 0 0 387.461 3.399 10 30 GGEERN CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1OC)C1=C(CCCC1=O)N2 ZINC000006002249 570464069 /nfs/dbraw/zinc/46/40/69/570464069.db2.gz JAYZOGUEWXGPNN-HNNXBMFYSA-N 0 0 383.473 3.455 10 30 GGEERN CCOc1ccc2c(c1)O/C(=C/c1ccc(OS(C)(=O)=O)c(OC)c1)C2=O ZINC000006531110 570468261 /nfs/dbraw/zinc/46/82/61/570468261.db2.gz FTWKRZSIVPPNAS-VCHYOVAHSA-N 0 0 390.413 3.049 10 30 GGEERN Cc1cc(C(=O)NCc2cccc(OCC#N)c2)nn1-c1ccc(F)cc1F ZINC000134200099 570469029 /nfs/dbraw/zinc/46/90/29/570469029.db2.gz BVGAJDCCCVCGDJ-UHFFFAOYSA-N 0 0 382.370 3.291 10 30 GGEERN N#CCCN(C(=O)CSc1nc(-c2ccccc2)cn1N)c1ccc(F)cc1 ZINC000006567097 570479694 /nfs/dbraw/zinc/47/96/94/570479694.db2.gz MXOMRCKNEPDDAH-UHFFFAOYSA-N 0 0 395.463 3.442 10 30 GGEERN CCOC(=O)c1c(C)oc(NC(=O)COC(=O)c2cc(C)cc(C)c2)c1C#N ZINC000006601845 570491006 /nfs/dbraw/zinc/49/10/06/570491006.db2.gz YMBMOVXBWNCNNZ-UHFFFAOYSA-N 0 0 384.388 3.049 10 30 GGEERN CC(C)C[C@H](C(=O)OCc1ccccc1C#N)N1C(=O)c2ccccc2C1=O ZINC000006602186 570492202 /nfs/dbraw/zinc/49/22/02/570492202.db2.gz YNUPPOZKUHMXPM-LJQANCHMSA-N 0 0 376.412 3.312 10 30 GGEERN CCNC(=O)N1CCc2ccc(NC(=O)[C@H](C)Oc3cccc(C#N)c3)cc21 ZINC000072296700 570504068 /nfs/dbraw/zinc/50/40/68/570504068.db2.gz LWAKTZOVVZYFKB-AWEZNQCLSA-N 0 0 378.432 3.056 10 30 GGEERN CSc1ccccc1NC(=O)CN(C)[C@@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000006638195 570511848 /nfs/dbraw/zinc/51/18/48/570511848.db2.gz TXJBBDSTEPUFRW-AWEZNQCLSA-N 0 0 382.489 3.178 10 30 GGEERN C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1n[nH]cc1-c1ccc2c(c1)OCO2 ZINC000072303602 570514019 /nfs/dbraw/zinc/51/40/19/570514019.db2.gz MROIAGLCNUHKOM-LBPRGKRZSA-N 0 0 376.372 3.083 10 30 GGEERN CCOc1cc(C#N)ccc1OCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000006653688 570520722 /nfs/dbraw/zinc/52/07/22/570520722.db2.gz APCZSSHPRPHIFQ-AWEZNQCLSA-N 0 0 379.416 3.100 10 30 GGEERN C=CCOC[C@@H](O)CN(Cc1ccccc1F)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147140 570548801 /nfs/dbraw/zinc/54/88/01/570548801.db2.gz RFQYNKRSVZKKNU-SFTDATJTSA-N 0 0 398.478 3.384 10 30 GGEERN CNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C(=Nc2ccc(OC)cc2)S1 ZINC000061953929 570551729 /nfs/dbraw/zinc/55/17/29/570551729.db2.gz MEFKTAGEDNYOMD-SFHVURJKSA-N 0 0 397.500 3.006 10 30 GGEERN CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000005326691 570554338 /nfs/dbraw/zinc/55/43/38/570554338.db2.gz LMPVNEGGTDLNBO-LLVKDONJSA-N 0 0 385.445 3.379 10 30 GGEERN C#CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)C(=S)N2C)cc1OC ZINC000006792130 570596940 /nfs/dbraw/zinc/59/69/40/570596940.db2.gz QJDXQNZXTUEFDC-GHRIWEEISA-N 0 0 378.453 3.312 10 30 GGEERN C=CCNC(=O)[C@@H]1Cc2ccc(OC)cc2N2CCN(c3ccc(C)cc3)C[C@@H]12 ZINC000169681652 570601929 /nfs/dbraw/zinc/60/19/29/570601929.db2.gz GPFMNAYZILKMFP-GGAORHGYSA-N 0 0 391.515 3.173 10 30 GGEERN N#Cc1ccc(-c2ccc(OCC(=O)N3NC=C[C@]3(O)C(F)(F)F)cc2)cc1 ZINC000005505071 570615826 /nfs/dbraw/zinc/61/58/26/570615826.db2.gz QHHNTJYQWZFBNF-SFHVURJKSA-N 0 0 389.333 3.073 10 30 GGEERN N#Cc1ccc(NC(=O)Cn2cccc(-c3nc(-c4ccccc4)no3)c2=O)cc1 ZINC000064998717 570640580 /nfs/dbraw/zinc/64/05/80/570640580.db2.gz VTMBXCCBBJQHTN-UHFFFAOYSA-N 0 0 397.394 3.076 10 30 GGEERN CN(C(=O)CSc1nnnn1-c1cccc(Cl)c1)C1(C#N)CCCCC1 ZINC000006848979 570647182 /nfs/dbraw/zinc/64/71/82/570647182.db2.gz SQIRHUHTNSDTDG-UHFFFAOYSA-N 0 0 390.900 3.093 10 30 GGEERN CC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)Nc3cccc(C#N)c3)cc21 ZINC000065021293 570647909 /nfs/dbraw/zinc/64/79/09/570647909.db2.gz PICVFZFYQDGYQF-UHFFFAOYSA-N 0 0 395.484 3.393 10 30 GGEERN C=CCNC(=O)c1cc(COc2ccc(NC(=O)c3ccccc3)cc2)on1 ZINC000065027034 570649852 /nfs/dbraw/zinc/64/98/52/570649852.db2.gz FQPSQRSYLGZXBD-UHFFFAOYSA-N 0 0 377.400 3.422 10 30 GGEERN CCOC(=O)c1sc(N)c(C#N)c1CN(C)CCOc1ccccc1F ZINC000015046213 570721645 /nfs/dbraw/zinc/72/16/45/570721645.db2.gz ADWUIRXYSAMCTA-UHFFFAOYSA-N 0 0 377.441 3.029 10 30 GGEERN CCc1nnc2c(S(=O)(=O)N(CC#N)c3ccc(C(C)C)cc3)cccn12 ZINC000065185254 570723559 /nfs/dbraw/zinc/72/35/59/570723559.db2.gz MLHNYOCYMYWEQI-UHFFFAOYSA-N 0 0 383.477 3.134 10 30 GGEERN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCCc1nc2ccccc2s1 ZINC000011178188 570724897 /nfs/dbraw/zinc/72/48/97/570724897.db2.gz UIKFZYRJADLNSY-UHFFFAOYSA-N 0 0 394.500 3.155 10 30 GGEERN N#Cc1ccc(N2CCCN(c3ccc(S(=O)(=O)C(F)F)cc3)CC2)cc1 ZINC000052189415 570740842 /nfs/dbraw/zinc/74/08/42/570740842.db2.gz XGQFFECEQNCHFP-UHFFFAOYSA-N 0 0 391.443 3.271 10 30 GGEERN COCCOC(=NC(=O)c1cccc(C(F)(F)F)c1)NCc1ccccn1 ZINC000004421235 570754878 /nfs/dbraw/zinc/75/48/78/570754878.db2.gz MQXZMJUEJCKUPB-UHFFFAOYSA-N 0 0 381.354 3.049 10 30 GGEERN CC(C)(C)N=C1Nc2ccccc2N[C@]12CCCN(S(=O)(=O)C1CC1)C2 ZINC000065260155 570762354 /nfs/dbraw/zinc/76/23/54/570762354.db2.gz BZGIGTACOLLRPA-IBGZPJMESA-N 0 0 376.526 3.048 10 30 GGEERN COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N=NC(C)c1cccc([N+](=O)[O-])c1 ZINC000100988622 570783968 /nfs/dbraw/zinc/78/39/68/570783968.db2.gz WYURNBCFHLRYSV-SXGWCWSVSA-N 0 0 375.297 3.256 10 30 GGEERN Cc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C#N)c2ccccc2n1 ZINC000005864550 570798770 /nfs/dbraw/zinc/79/87/70/570798770.db2.gz MRBXFOCUIXFIQT-UHFFFAOYSA-N 0 0 390.355 3.119 10 30 GGEERN N#Cc1cccc(NC(=O)N2CCC3(CC2)SCC(=O)N3Cc2ccco2)c1 ZINC000034924307 570809656 /nfs/dbraw/zinc/80/96/56/570809656.db2.gz SOOPZZFBHAPRFM-UHFFFAOYSA-N 0 0 396.472 3.251 10 30 GGEERN CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(N3CCOCC3)cc2)NC(=O)N1 ZINC000005694520 570813609 /nfs/dbraw/zinc/81/36/09/570813609.db2.gz JGEBSSTWEFAKAN-FQEVSTJZSA-N 0 0 377.444 3.034 10 30 GGEERN CCCS(=O)(=O)N1CCc2ccc(NC(=O)Nc3cccc(C#N)c3)cc21 ZINC000033130257 570820837 /nfs/dbraw/zinc/82/08/37/570820837.db2.gz GGZFWSMYODSCKA-UHFFFAOYSA-N 0 0 384.461 3.305 10 30 GGEERN CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O ZINC000101661166 570828707 /nfs/dbraw/zinc/82/87/07/570828707.db2.gz LXWHTUDVXQIKFJ-HXUWFJFHSA-N 0 0 377.460 3.113 10 30 GGEERN CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)c2ccc(NC(C)=O)cc2)C1=O ZINC000101661900 570828741 /nfs/dbraw/zinc/82/87/41/570828741.db2.gz MOYXNVWZAYJUNM-OAQYLSRUSA-N 0 0 387.480 3.499 10 30 GGEERN COC(=O)C1=C(Nc2cccc([N+](=O)[O-])c2)SC(=Cc2cccc(O)c2)C1=O ZINC000101728188 570831716 /nfs/dbraw/zinc/83/17/16/570831716.db2.gz GJUAKVQGTQMHSV-OQLLNIDSSA-N 0 0 398.396 3.454 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCC(c3noc(-c4ccccc4)n3)CC2)cc1 ZINC000033169423 570838219 /nfs/dbraw/zinc/83/82/19/570838219.db2.gz AVAFDAHSXPSALQ-UHFFFAOYSA-N 0 0 394.456 3.177 10 30 GGEERN Cc1[nH]c(C(=O)O[C@H](C)C(=O)Nc2ccc(C#N)cc2)c(C)c1C(=O)OC(C)C ZINC000007413424 570838403 /nfs/dbraw/zinc/83/84/03/570838403.db2.gz YQNVNEIXWSJODI-CQSZACIVSA-N 0 0 397.431 3.252 10 30 GGEERN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)Nc1nc[nH]n1 ZINC000033175302 570840060 /nfs/dbraw/zinc/84/00/60/570840060.db2.gz PVRVTWKZUIBHHD-UHFFFAOYSA-N 0 0 396.407 3.023 10 30 GGEERN CN(c1cccc(Br)n1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000170597348 570855136 /nfs/dbraw/zinc/85/51/36/570855136.db2.gz ZEFWEOQXOHRVES-UHFFFAOYSA-N 0 0 386.658 3.194 10 30 GGEERN O=c1c(C=[NH+]C[C@@H]2CCCO2)c(C(F)(F)F)[n-]n1-c1nc2ccccc2s1 ZINC000102643653 570856831 /nfs/dbraw/zinc/85/68/31/570856831.db2.gz ITCGAWSXFRCAGK-UQXWMBKDSA-N 0 0 396.394 3.392 10 30 GGEERN N#Cc1ccccc1CSc1ncc(CO)n1Cc1ccc2c(c1)OCO2 ZINC000004720430 570859644 /nfs/dbraw/zinc/85/96/44/570859644.db2.gz OGDOIVAGQZHQTK-UHFFFAOYSA-N 0 0 379.441 3.316 10 30 GGEERN COc1ccccc1C(=O)N=C(Nc1ccc(C)cc1C)N1CCN(C)CC1 ZINC000033251299 570859971 /nfs/dbraw/zinc/85/99/71/570859971.db2.gz XVGVGBJUBADZJL-UHFFFAOYSA-N 0 0 380.492 3.168 10 30 GGEERN CCCOC(=O)c1ccc(S(=O)(=O)N(c2ccc(C#N)cc2)C2CC2)cc1 ZINC000170609182 570865387 /nfs/dbraw/zinc/86/53/87/570865387.db2.gz ODAMWTKYVFKOFU-UHFFFAOYSA-N 0 0 384.457 3.483 10 30 GGEERN COCCN=C1Nc2ccccc2N[C@@]12CCCN(C(=O)c1ccsc1)C2 ZINC000097096581 570892093 /nfs/dbraw/zinc/89/20/93/570892093.db2.gz IVQPTZZZMKMWHY-HXUWFJFHSA-N 0 0 384.505 3.305 10 30 GGEERN Cc1onc(-c2ccccc2Cl)c1C(=O)ONC(=N)c1ccc([N+](=O)[O-])o1 ZINC000015924352 570909173 /nfs/dbraw/zinc/90/91/73/570909173.db2.gz KZQPDSCZYFNVKY-UHFFFAOYSA-N 0 0 390.739 3.282 10 30 GGEERN CC(=O)Nc1cccc([C@@H](C)N(CC(=O)NCCC#N)Cc2ccccc2)c1 ZINC000032909362 570910714 /nfs/dbraw/zinc/91/07/14/570910714.db2.gz HOXMXKRNBAJDPC-QGZVFWFLSA-N 0 0 378.476 3.238 10 30 GGEERN CCOc1cc(C=Nn2cnnc2SCc2ccccc2)cc([N+](=O)[O-])c1[O-] ZINC000252476847 570965355 /nfs/dbraw/zinc/96/53/55/570965355.db2.gz CKNUFLHRUSFLMV-UHFFFAOYSA-N 0 0 399.432 3.465 10 30 GGEERN Fc1ccc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 ZINC000004755353 570966842 /nfs/dbraw/zinc/96/68/42/570966842.db2.gz DARDBWAGJUOKES-PXLXIMEGSA-N 0 0 383.475 3.437 10 30 GGEERN C#CCn1cnc2c1ncnc2NC(=O)COc1ccccc1Cc1ccccc1 ZINC000072275017 570970990 /nfs/dbraw/zinc/97/09/90/570970990.db2.gz UWKSXFDBYUEUNF-UHFFFAOYSA-N 0 0 397.438 3.068 10 30 GGEERN CC[C@@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)Nc1ccc(F)cc1 ZINC000012722072 570971434 /nfs/dbraw/zinc/97/14/34/570971434.db2.gz AOZFRNBMSQUJMA-QGZVFWFLSA-N 0 0 383.379 3.252 10 30 GGEERN C=CCOc1ccc(/C=C/C(=O)NCC[C@H](CC)N2CCCC2=O)cc1OC ZINC000058341632 570984060 /nfs/dbraw/zinc/98/40/60/570984060.db2.gz UWMCKQDXOXSAAQ-CKDFRHGISA-N 0 0 386.492 3.181 10 30 GGEERN CCOc1ccc(NC(=O)NC(=O)COc2ccccc2C#N)cc1OCC ZINC000011399852 571000075 /nfs/dbraw/zinc/00/00/75/571000075.db2.gz NBJVAFHUCVWBRT-UHFFFAOYSA-N 0 0 383.404 3.083 10 30 GGEERN COc1ccc(NC(=NC(=O)c2ccc(OC)cc2)NCc2ccncc2)cc1 ZINC000045940261 571001352 /nfs/dbraw/zinc/00/13/52/571001352.db2.gz VSWBPTZWEWAXJE-UHFFFAOYSA-N 0 0 390.443 3.497 10 30 GGEERN COc1cccc(C(=O)N/C(=N/c2cccc(F)c2)NCc2ccncc2)c1 ZINC000045940688 571001787 /nfs/dbraw/zinc/00/17/87/571001787.db2.gz FZDUFGRKRHJJNH-UHFFFAOYSA-N 0 0 378.407 3.437 10 30 GGEERN CCNC(=S)NN=Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252600394 571004783 /nfs/dbraw/zinc/00/47/83/571004783.db2.gz DQOWALTZJDCNNS-UHFFFAOYSA-N 0 0 389.393 3.113 10 30 GGEERN COc1ccc(N2C(=O)C[C@@H](SC(=N)NN=C(C)c3ccccc3)C2=O)cc1 ZINC000252609382 571009498 /nfs/dbraw/zinc/00/94/98/571009498.db2.gz HSUQUSVZOCYHFB-QGZVFWFLSA-N 0 0 396.472 3.009 10 30 GGEERN CCCN1CCN(C(Nc2cccc(C(=O)[O-])c2)=[NH+]Cc2ccc(C)cc2)CC1 ZINC000046021963 571012750 /nfs/dbraw/zinc/01/27/50/571012750.db2.gz OKAIDFULUDEUSP-UHFFFAOYSA-N 0 0 394.519 3.498 10 30 GGEERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N ZINC000007672302 571014022 /nfs/dbraw/zinc/01/40/22/571014022.db2.gz AZNJVUZVWMTMPG-CQSZACIVSA-N 0 0 388.383 3.306 10 30 GGEERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000007672265 571014303 /nfs/dbraw/zinc/01/43/03/571014303.db2.gz KDIYYXSUHPICSG-HNNXBMFYSA-N 0 0 377.400 3.459 10 30 GGEERN COc1ccccc1-c1cnnc(N=NCc2cc(Cl)cc(OC)c2O)n1 ZINC000252617565 571019348 /nfs/dbraw/zinc/01/93/48/571019348.db2.gz KVRRUUVGNPERTE-UHFFFAOYSA-N 0 0 385.811 3.361 10 30 GGEERN N#CCCN(CCN1CCOCC1)c1nc2ccccc2c(-c2ccccc2)n1 ZINC000084559955 571023244 /nfs/dbraw/zinc/02/32/44/571023244.db2.gz CTTMNXJCUGXADW-UHFFFAOYSA-N 0 0 387.487 3.349 10 30 GGEERN CN(C)c1ccc(C=NN=C2NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3)S2)cc1 ZINC000252620376 571026756 /nfs/dbraw/zinc/02/67/56/571026756.db2.gz MCWSPOUQBRKUCO-LOLFMQHDSA-N 0 0 395.444 3.255 10 30 GGEERN COc1ccc(NC(=O)[C@H]2CC(=O)N(C)C(=Nc3ccc(F)cc3)S2)cc1 ZINC000252624647 571038230 /nfs/dbraw/zinc/03/82/30/571038230.db2.gz PSJKNWPBTNWWON-MRXNPFEDSA-N 0 0 387.436 3.424 10 30 GGEERN COc1ccccc1NC(=O)[C@@H]1CC(=O)N(C)C(=Nc2cccc(F)c2)S1 ZINC000252625145 571038527 /nfs/dbraw/zinc/03/85/27/571038527.db2.gz QEGAJNTWIKWJBB-INIZCTEOSA-N 0 0 387.436 3.424 10 30 GGEERN CCCN1C(C(C)=O)=C(OC(=O)Cc2ccccc2)c2ccccc2S1(=O)=O ZINC000015669412 571040287 /nfs/dbraw/zinc/04/02/87/571040287.db2.gz ZMOZGTZSDJABSC-UHFFFAOYSA-N 0 0 399.468 3.144 10 30 GGEERN C=CCN(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1cc(C)ccc1C ZINC000002628365 1398314442 /nfs/dbraw/zinc/31/44/42/1398314442.db2.gz XIUSFVPPZFHYRV-UHFFFAOYSA-N 0 0 376.453 3.258 10 30 GGEERN N#CCCN(C(=O)COC(=O)c1cc2ccccc2oc1=O)c1ccccc1F ZINC000002636620 1398314782 /nfs/dbraw/zinc/31/47/82/1398314782.db2.gz RZEVJAHRSDVTQA-UHFFFAOYSA-N 0 0 394.358 3.036 10 30 GGEERN CN(C)/C=C1/S/C(=N\S(=O)(=O)c2ccccc2)N(C2CCCCC2)C1=O ZINC000002698127 1398317003 /nfs/dbraw/zinc/31/70/03/1398317003.db2.gz RVSUBSDJJSFHLD-XLTGVJEBSA-N 0 0 393.534 3.042 10 30 GGEERN COc1ccccc1N1CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)CC1 ZINC000003198537 1398328082 /nfs/dbraw/zinc/32/80/82/1398328082.db2.gz WMYIHRFMQVLKQH-UHFFFAOYSA-N 0 0 388.283 3.177 10 30 GGEERN Cc1cc2sc(NC(=O)COC(=O)COc3ccc(C#N)cc3)nc2c(C)c1 ZINC000003296406 1398332764 /nfs/dbraw/zinc/33/27/64/1398332764.db2.gz STZHGVTUTJNLGO-UHFFFAOYSA-N 0 0 395.440 3.346 10 30 GGEERN C=CCN(CC(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1ccccc1F ZINC000003334902 1398334953 /nfs/dbraw/zinc/33/49/53/1398334953.db2.gz LGGDOQXOXUGIDV-UHFFFAOYSA-N 0 0 392.452 3.040 10 30 GGEERN N#Cc1ccc(COC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 ZINC000003344235 1398335753 /nfs/dbraw/zinc/33/57/53/1398335753.db2.gz XFUBQAAZBMZYNF-HXUWFJFHSA-N 0 0 386.407 3.462 10 30 GGEERN C=CCN(CC=C)C(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000003408442 1398343969 /nfs/dbraw/zinc/34/39/69/1398343969.db2.gz CUFRRNADMHVTRD-UHFFFAOYSA-N 0 0 378.428 3.296 10 30 GGEERN CCOC(=O)NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N ZINC000003450668 1398348894 /nfs/dbraw/zinc/34/88/94/1398348894.db2.gz LKCXJJOLBNGRGR-UHFFFAOYSA-N 0 0 384.413 3.139 10 30 GGEERN C[C@H]1CCc2c(C#N)c(NC(=O)CN3CC(=O)Nc4ccccc43)sc2C1 ZINC000003455993 1398349814 /nfs/dbraw/zinc/34/98/14/1398349814.db2.gz MSLYIZPELLTUCC-LBPRGKRZSA-N 0 0 380.473 3.142 10 30 GGEERN C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)c3ccc(C)cc3)cc2C1=O ZINC000003526019 1398364311 /nfs/dbraw/zinc/36/43/11/1398364311.db2.gz LNPDYEQYGVPUIR-AWEZNQCLSA-N 0 0 377.396 3.205 10 30 GGEERN COc1cccc(CN(C)CC(=O)Nc2sc3c(c2C#N)CCC3)c1OC ZINC000003586627 1398371263 /nfs/dbraw/zinc/37/12/63/1398371263.db2.gz WYCIDODKQOIFPQ-UHFFFAOYSA-N 0 0 385.489 3.196 10 30 GGEERN O=C(C(Cl)=CNc1cccc(S(=O)(=O)N2CCCCC2)c1)C(F)(F)F ZINC000005526325 1398451317 /nfs/dbraw/zinc/45/13/17/1398451317.db2.gz GQQHNOAAZBYKAH-RAXLEYEMSA-N 0 0 396.818 3.485 10 30 GGEERN O=S(=O)(N=C(Nc1ccncc1)c1ccccc1Cl)c1cccs1 ZINC000006139793 1398535286 /nfs/dbraw/zinc/53/52/86/1398535286.db2.gz SXRSFAKKHPJJJS-UHFFFAOYSA-N 0 0 377.878 3.466 10 30 GGEERN CSc1ccc(/C=C/C(=O)OCc2nc3ccccc3c(=O)n2CC#N)cc1 ZINC000006362824 1398546207 /nfs/dbraw/zinc/54/62/07/1398546207.db2.gz KHUXBPQTAVYUQJ-DHZHZOJOSA-N 0 0 391.452 3.399 10 30 GGEERN Cc1ccc(C)n1NC(=O)c1ccc(OCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000008120856 1398806082 /nfs/dbraw/zinc/80/60/82/1398806082.db2.gz NVVXLYQHNUYHGZ-UHFFFAOYSA-N 0 0 388.427 3.378 10 30 GGEERN N#Cc1c(N)n[nH]c1CCCNC(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000008134501 1398807051 /nfs/dbraw/zinc/80/70/51/1398807051.db2.gz XGMDGHDMSVPHAK-UHFFFAOYSA-N 0 0 392.444 3.096 10 30 GGEERN Cc1c(C)n(C[C@@H]2CCCO2)c(NC(=O)CN2CCc3ccccc32)c1C#N ZINC000008194193 1398812849 /nfs/dbraw/zinc/81/28/49/1398812849.db2.gz RSKVJRSDYONXBT-SFHVURJKSA-N 0 0 378.476 3.157 10 30 GGEERN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc(N)n[nH]3)sc2C1 ZINC000008557066 1398840148 /nfs/dbraw/zinc/84/01/48/1398840148.db2.gz HLAYHTPECNCXFN-SECBINFHSA-N 0 0 390.538 3.202 10 30 GGEERN CCC(=O)OC1=C(C(C)=O)N(Cc2ccccc2)S(=O)(=O)c2ccccc21 ZINC000008654846 1398842854 /nfs/dbraw/zinc/84/28/54/1398842854.db2.gz ZURSFQPYDKDYIU-UHFFFAOYSA-N 0 0 385.441 3.102 10 30 GGEERN N#C[C@]1(c2nnc3n2CCCCC3)Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]21 ZINC000008718025 1398844723 /nfs/dbraw/zinc/84/47/23/1398844723.db2.gz IAQJVDOIAZPKIE-WIYYLYMNSA-N 0 0 392.463 3.289 10 30 GGEERN N#C[C@@]1(c2nnc3n2CCCCC3)Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]21 ZINC000008718026 1398844759 /nfs/dbraw/zinc/84/47/59/1398844759.db2.gz IAQJVDOIAZPKIE-RXVVDRJESA-N 0 0 392.463 3.289 10 30 GGEERN CCc1cc(N2CCN(C(=O)C(C)C)CC2)n2c3ccccc3nc2c1C#N ZINC000008746497 1398845335 /nfs/dbraw/zinc/84/53/35/1398845335.db2.gz WPZQSSGXNXTIKC-UHFFFAOYSA-N 0 0 375.476 3.226 10 30 GGEERN C=CCSc1nnc(NC(=O)C[C@@H](NC(C)=O)c2ccc(OC)cc2)s1 ZINC000008751416 1398845430 /nfs/dbraw/zinc/84/54/30/1398845430.db2.gz YTQJTXDZWMSFCV-CQSZACIVSA-N 0 0 392.506 3.031 10 30 GGEERN Cc1cc(S[C@@H](C)C(=O)N2CCOCC2)n2c3ccccc3nc2c1C#N ZINC000009032002 1398852473 /nfs/dbraw/zinc/85/24/73/1398852473.db2.gz CDAAHAUYCNBSOC-AWEZNQCLSA-N 0 0 380.473 3.007 10 30 GGEERN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000009532806 1398860450 /nfs/dbraw/zinc/86/04/50/1398860450.db2.gz IMBNODXFFYNNFQ-HNAYVOBHSA-N 0 0 377.444 3.494 10 30 GGEERN COc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)cc(Cl)c1OC ZINC000009817452 1398867241 /nfs/dbraw/zinc/86/72/41/1398867241.db2.gz UDXNPGKMVAQKAG-LLVKDONJSA-N 0 0 388.807 3.413 10 30 GGEERN COc1cc(CNC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc(OC)c1OC ZINC000009888118 1398869423 /nfs/dbraw/zinc/86/94/23/1398869423.db2.gz GPXVQVALASEGHD-UHFFFAOYSA-N 0 0 395.415 3.206 10 30 GGEERN N#Cc1ccc(CN2CCN(C(=O)/C=C/c3cccc4cccnc34)CC2)cc1 ZINC000012774697 1399058122 /nfs/dbraw/zinc/05/81/22/1399058122.db2.gz KEPMPKWHXCNBJD-ZHACJKMWSA-N 0 0 382.467 3.464 10 30 GGEERN N#Cc1ccc(-c2csc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)n2)cc1 ZINC000012977293 1399070376 /nfs/dbraw/zinc/07/03/76/1399070376.db2.gz GWZVAYBTQKJUEV-KRWDZBQOSA-N 0 0 375.409 3.402 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)Nc2ccccc2I)cc1 ZINC000020361693 1399345061 /nfs/dbraw/zinc/34/50/61/1399345061.db2.gz SBUCCNMILZOHMU-UHFFFAOYSA-N 0 0 398.225 3.105 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)Nc2cccc(I)c2)cc1 ZINC000020361701 1399345271 /nfs/dbraw/zinc/34/52/71/1399345271.db2.gz AWQXLYKOPLHUDN-UHFFFAOYSA-N 0 0 398.225 3.105 10 30 GGEERN CCCN1C(C(C)=O)=C(OC(=O)c2ccccc2)c2ccccc2S1(=O)=O ZINC000020893947 1399356197 /nfs/dbraw/zinc/35/61/97/1399356197.db2.gz GWSPQEFKUVFDEC-UHFFFAOYSA-N 0 0 385.441 3.216 10 30 GGEERN C=CCNS(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2ccccc2)ccc1F ZINC000045319341 1404098180 /nfs/dbraw/zinc/09/81/80/1404098180.db2.gz DOPZJSGNDQZSJC-CQSZACIVSA-N 0 0 376.453 3.123 10 30 GGEERN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(Cl)ccc1C#N ZINC000046799213 1404593562 /nfs/dbraw/zinc/59/35/62/1404593562.db2.gz SSJZFZXVGDSZTQ-UHFFFAOYSA-N 0 0 377.897 3.488 10 30 GGEERN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 ZINC000047460787 1404844532 /nfs/dbraw/zinc/84/45/32/1404844532.db2.gz AXZLLVCCTZKHTN-SJORKVTESA-N 0 0 380.423 3.015 10 30 GGEERN COc1ccc(C#N)cc1NC(=O)CSc1nnc(-c2ccc(F)cc2)o1 ZINC000064456951 1408558713 /nfs/dbraw/zinc/55/87/13/1408558713.db2.gz AQAIICYLQKKCIV-UHFFFAOYSA-N 0 0 384.392 3.487 10 30 GGEERN C=C(C)COc1cccc(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)c1 ZINC000066727100 1408895405 /nfs/dbraw/zinc/89/54/05/1408895405.db2.gz ASINMGWMCSFHQZ-ZIFCJYIRSA-N 0 0 389.521 3.306 10 30 GGEERN COc1nccc(Oc2ccc(CN3CCOCC3)c3cccnc23)c1C#N ZINC000067558931 1409162343 /nfs/dbraw/zinc/16/23/43/1409162343.db2.gz LGKRAEZADLUUJY-UHFFFAOYSA-N 0 0 376.416 3.135 10 30 GGEERN COc1[nH]c2cn(C(C)C)c(=O)c-2cc1-c1c(C#N)c(N)nc2c1CCCCC2 ZINC000067803561 1409234298 /nfs/dbraw/zinc/23/42/98/1409234298.db2.gz NJANPDNLMKRCFH-UHFFFAOYSA-N 0 0 391.475 3.239 10 30 GGEERN C=CCN(CC1CCCCC1)C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12 ZINC000069788380 1409700568 /nfs/dbraw/zinc/70/05/68/1409700568.db2.gz CWNRJIVGVCDLMD-ZIFCJYIRSA-N 0 0 379.570 3.307 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCC(OCc3ccc(F)cc3)CC2)ccc1F ZINC000092556716 1410172688 /nfs/dbraw/zinc/17/26/88/1410172688.db2.gz OARDIBPMQIIELJ-UHFFFAOYSA-N 0 0 392.427 3.206 10 30 GGEERN Cc1cc(F)cc2[nH]c(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc21 ZINC000095939178 1410315901 /nfs/dbraw/zinc/31/59/01/1410315901.db2.gz YKMUBQVFFBSPIB-YVEFUNNKSA-N 0 0 386.427 3.104 10 30 GGEERN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NC(=O)c2ccccc2OC2CCCC2)C1 ZINC000095939175 1410316015 /nfs/dbraw/zinc/31/60/15/1410316015.db2.gz GLLATAMYLMKWDS-CRAIPNDOSA-N 0 0 399.491 3.497 10 30 GGEERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000095980239 1410318199 /nfs/dbraw/zinc/31/81/99/1410318199.db2.gz JFDJCSWPCJSYQD-OAHLLOKOSA-N 0 0 390.447 3.266 10 30 GGEERN CCc1ccc(/C=C2/CS(=O)(=O)c3c(F)cccc3C2=O)cc1[N+](=O)[O-] ZINC000096925160 1410337002 /nfs/dbraw/zinc/33/70/02/1410337002.db2.gz OLOWHAGEOAVXCC-JYRVWZFOSA-N 0 0 375.377 3.350 10 30 GGEERN Cn1nnnc1-c1cccc(NC(=O)/C=C\c2cn(CCC#N)c3ccccc23)c1 ZINC000096936985 1410338588 /nfs/dbraw/zinc/33/85/88/1410338588.db2.gz NSJVTOWJTFGIGI-KHPPLWFESA-N 0 0 397.442 3.397 10 30 GGEERN CCOC(=O)C(=CNc1cc(C(C)(C)C)sc1C(N)=O)C(=O)C(F)(F)F ZINC000100038288 1410437062 /nfs/dbraw/zinc/43/70/62/1410437062.db2.gz SJXBHQHKDJTWRN-FPLPWBNLSA-N 0 0 392.399 3.135 10 30 GGEERN COc1cc(CN2CCN(CCC#N)CC2)cc(OC)c1OCc1ccccc1 ZINC000100156395 1410437276 /nfs/dbraw/zinc/43/72/76/1410437276.db2.gz YWDIPLPSYXPABV-UHFFFAOYSA-N 0 0 395.503 3.314 10 30 GGEERN O=C(C=CNc1ccccc1C(=O)OCC(=O)NC1CCCCC1)C(F)(F)F ZINC000104591126 1410908564 /nfs/dbraw/zinc/90/85/64/1410908564.db2.gz RAEMYZVDJJFIBN-KHPPLWFESA-N 0 0 398.381 3.349 10 30 GGEERN C=CCOc1ccccc1CNC(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000111470655 1411972221 /nfs/dbraw/zinc/97/22/21/1411972221.db2.gz GCYIXZWHMJCLMR-UHFFFAOYSA-N 0 0 376.460 3.496 10 30 GGEERN CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000111884726 1412044205 /nfs/dbraw/zinc/04/42/05/1412044205.db2.gz CSARHMXBWHOPLX-GOSISDBHSA-N 0 0 386.496 3.488 10 30 GGEERN COCCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)CC(F)(F)F ZINC000112613056 1412178443 /nfs/dbraw/zinc/17/84/43/1412178443.db2.gz BXVNKHMZMMSKGI-ZDUSSCGKSA-N 0 0 389.443 3.388 10 30 GGEERN COCCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)CC(F)(F)F ZINC000112613053 1412178826 /nfs/dbraw/zinc/17/88/26/1412178826.db2.gz BXVNKHMZMMSKGI-CYBMUJFWSA-N 0 0 389.443 3.388 10 30 GGEERN CCN(CC)Cc1nc(C2(NC(=O)c3ccccc3OCC#N)CCCC2)no1 ZINC000119182171 1413368380 /nfs/dbraw/zinc/36/83/80/1413368380.db2.gz AHOXIQBDQHCKQF-UHFFFAOYSA-N 0 0 397.479 3.013 10 30 GGEERN C[C@H]1CN(c2ccc(NC(=O)Cc3cccc(OCC#N)c3)cc2)C[C@H](C)O1 ZINC000120024138 1413657759 /nfs/dbraw/zinc/65/77/59/1413657759.db2.gz HNPRURANWQDTEE-IRXDYDNUSA-N 0 0 379.460 3.384 10 30 GGEERN COc1cc(C)cc(CNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 ZINC000120692667 1413876633 /nfs/dbraw/zinc/87/66/33/1413876633.db2.gz ABSXZIFHWHIFTQ-UHFFFAOYSA-N 0 0 399.450 3.053 10 30 GGEERN C[C@@H](Cc1ccc(Cl)cc1)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000121133654 1414019676 /nfs/dbraw/zinc/01/96/76/1414019676.db2.gz BLQDSNZVXCSSJU-LBPRGKRZSA-N 0 0 393.852 3.372 10 30 GGEERN CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)[C@H](C#N)C1 ZINC000121860723 1414281557 /nfs/dbraw/zinc/28/15/57/1414281557.db2.gz DZNMHPXIQMDQSV-BRWVUGGUSA-N 0 0 389.883 3.415 10 30 GGEERN C=C(C)[C@@H]1CC=C(COC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 ZINC000177694592 1428835238 /nfs/dbraw/zinc/83/52/38/1428835238.db2.gz FUMDHUORVIRYCC-CQSZACIVSA-N 0 0 379.434 3.458 10 30 GGEERN C=CCn1c(S[C@@H](C)C(=O)Nc2ncccn2)nnc1-c1ccccc1C ZINC000124139581 1414893559 /nfs/dbraw/zinc/89/35/59/1414893559.db2.gz BNFAOMPUJVVSOB-AWEZNQCLSA-N 0 0 380.477 3.349 10 30 GGEERN C[C@H](ON=C(N)COc1ccccc1)C(=O)Nc1ccccc1Br ZINC000124438948 1414968989 /nfs/dbraw/zinc/96/89/89/1414968989.db2.gz DXBKKFQONKHTEB-LBPRGKRZSA-N 0 0 392.253 3.144 10 30 GGEERN C[C@H]1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C[C@H]1n1ccnc1 ZINC000126002345 1415333773 /nfs/dbraw/zinc/33/37/73/1415333773.db2.gz CMJOACQXCBLWIK-AZUAARDMSA-N 0 0 393.491 3.020 10 30 GGEERN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc(C2CC2)n1C ZINC000126207125 1415384600 /nfs/dbraw/zinc/38/46/00/1415384600.db2.gz BZVBGGBCSLNXSO-CYBMUJFWSA-N 0 0 385.493 3.129 10 30 GGEERN N#Cc1ccc(Cn2cnc(NC(=O)COc3ccc4ccccc4c3)n2)cc1 ZINC000177998499 1428924522 /nfs/dbraw/zinc/92/45/22/1428924522.db2.gz DTYWBNAGXUFHJZ-UHFFFAOYSA-N 0 0 383.411 3.369 10 30 GGEERN N#Cc1ccc(Cn2cnc(NC(=O)Cc3ccc(Br)cc3)n2)cc1 ZINC000177998349 1428924562 /nfs/dbraw/zinc/92/45/62/1428924562.db2.gz HDQQJNXJTPKGBX-UHFFFAOYSA-N 0 0 396.248 3.142 10 30 GGEERN N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CCc4ccsc4C3)n2)c1 ZINC000126640480 1415514853 /nfs/dbraw/zinc/51/48/53/1415514853.db2.gz BVGVKOCTAVMNAV-UHFFFAOYSA-N 0 0 394.481 3.267 10 30 GGEERN C[C@H]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@H]1n1ccnc1 ZINC000129790516 1416264310 /nfs/dbraw/zinc/26/43/10/1416264310.db2.gz BSFADKFSILHACL-SWLSCSKDSA-N 0 0 375.379 3.471 10 30 GGEERN O=C(C#Cc1ccc2c(c1)OCO2)NCc1ccc(OCc2ccccn2)cc1 ZINC000134598679 1417094388 /nfs/dbraw/zinc/09/43/88/1417094388.db2.gz CHTVKHLDCXTFMS-UHFFFAOYSA-N 0 0 386.407 3.057 10 30 GGEERN C[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000178761221 1429162138 /nfs/dbraw/zinc/16/21/38/1429162138.db2.gz CEVLTFUOYYZUMK-HNAYVOBHSA-N 0 0 385.489 3.495 10 30 GGEERN C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[C@@H]1n1ccnc1 ZINC000151242821 1417902080 /nfs/dbraw/zinc/90/20/80/1417902080.db2.gz ALJRAOSKEYDOEE-DOMZBBRYSA-N 0 0 398.410 3.045 10 30 GGEERN C[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[C@@H]1n1ccnc1 ZINC000151270439 1417909542 /nfs/dbraw/zinc/90/95/42/1417909542.db2.gz AQICDFWDDPYFDA-WFASDCNBSA-N 0 0 398.410 3.045 10 30 GGEERN N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC(c3ccc(O)cc3)CC2)c1 ZINC000154790898 1423034026 /nfs/dbraw/zinc/03/40/26/1423034026.db2.gz HNPBQGMIBXGUHO-UHFFFAOYSA-N 0 0 383.835 3.262 10 30 GGEERN C[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)c1ccc(-n2cccn2)cc1 ZINC000156057901 1423655219 /nfs/dbraw/zinc/65/52/19/1423655219.db2.gz CLWBZZUNQQPBNK-CYBMUJFWSA-N 0 0 393.834 3.213 10 30 GGEERN COc1ccc(CN2CCN(Cc3cc(F)ccc3C#N)CC2)c(OC)c1OC ZINC000158264518 1424213759 /nfs/dbraw/zinc/21/37/59/1424213759.db2.gz ODMOJZDYZZKKMX-UHFFFAOYSA-N 0 0 399.466 3.041 10 30 GGEERN C[C@@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)c1ccc(-n2cccn2)cc1 ZINC000164054570 1425072107 /nfs/dbraw/zinc/07/21/07/1425072107.db2.gz HILCTDDYNINBEM-CQSZACIVSA-N 0 0 384.436 3.064 10 30 GGEERN N#Cc1ccc(C(=O)NCC(=O)N2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000171108329 1425487166 /nfs/dbraw/zinc/48/71/66/1425487166.db2.gz NUEHWWXQQXZDOL-UHFFFAOYSA-N 0 0 386.455 3.176 10 30 GGEERN CCOc1ccc(C#N)cc1NC(=O)N1CCCN(Cc2cscn2)CC1 ZINC000171259279 1425576896 /nfs/dbraw/zinc/57/68/96/1425576896.db2.gz HLRFAAJAIWQKTA-UHFFFAOYSA-N 0 0 385.493 3.153 10 30 GGEERN C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000172624276 1426117326 /nfs/dbraw/zinc/11/73/26/1426117326.db2.gz BNASUVNSHXIXDY-JHBCHSCWSA-N 0 0 396.491 3.086 10 30 GGEERN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)Cc1nccn1C(F)F ZINC000173672869 1426816609 /nfs/dbraw/zinc/81/66/09/1426816609.db2.gz CYYKWODVTWSJMR-CQSZACIVSA-N 0 0 391.422 3.054 10 30 GGEERN Cc1cccc(-n2c(SCCCSCC#N)nnc2N2CCOCC2)c1 ZINC000174009814 1426941605 /nfs/dbraw/zinc/94/16/05/1426941605.db2.gz AHYPVNUSMDYSMC-UHFFFAOYSA-N 0 0 389.550 3.151 10 30 GGEERN C[C@@H](c1ccc(Cl)cc1)N(C(=O)CCNC(=O)C1N=CC=CC1=O)C1CC1 ZINC000174089695 1426996111 /nfs/dbraw/zinc/99/61/11/1426996111.db2.gz CLXFCVOVGDSUHA-UUPHZHHOSA-N 0 0 387.867 3.309 10 30 GGEERN CC(C)CO[C@H](C)c1noc(CN(C)CCC(=O)Nc2ccccc2C#N)n1 ZINC000174211281 1427053544 /nfs/dbraw/zinc/05/35/44/1427053544.db2.gz FOSDHCVWGXQCHH-OAHLLOKOSA-N 0 0 385.468 3.135 10 30 GGEERN N#Cc1cc(NC(=O)Nc2ccc3c(c2)CCO3)ccc1N1CCC(O)CC1 ZINC000174894930 1427432094 /nfs/dbraw/zinc/43/20/94/1427432094.db2.gz HMTUBGTWJYGHPF-UHFFFAOYSA-N 0 0 378.432 3.098 10 30 GGEERN CCc1nc(C2(NC(=O)/C=C/c3ccc(OCC#N)c(OC)c3)CCCC2)no1 ZINC000175133058 1427562901 /nfs/dbraw/zinc/56/29/01/1427562901.db2.gz GXQVKLBGGKJZAM-VQHVLOKHSA-N 0 0 396.447 3.142 10 30 GGEERN CC(=O)N1CC[C@@H](C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 ZINC000175638400 1427840489 /nfs/dbraw/zinc/84/04/89/1427840489.db2.gz GVTKNKPMHINCOJ-HXUWFJFHSA-N 0 0 379.435 3.095 10 30 GGEERN CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000180849736 1430069123 /nfs/dbraw/zinc/06/91/23/1430069123.db2.gz DYBXGWUCBXSXSE-GJZGRUSLSA-N 0 0 386.839 3.369 10 30 GGEERN C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(N2CCOC2=O)cc1 ZINC000181915262 1430382689 /nfs/dbraw/zinc/38/26/89/1430382689.db2.gz AZNNSEXQJUYGRV-UHFFFAOYSA-N 0 0 381.407 3.127 10 30 GGEERN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCc2c(cccc2OC)C1 ZINC000182665807 1430512974 /nfs/dbraw/zinc/51/29/74/1430512974.db2.gz GZVCQQVHUWWBGR-QGZVFWFLSA-N 0 0 393.487 3.397 10 30 GGEERN N#Cc1ccc(CN(C(=O)NCc2ccc(N3CCOC3=O)cc2)C2CC2)cc1 ZINC000182708434 1430523497 /nfs/dbraw/zinc/52/34/97/1430523497.db2.gz IADRUQHLBBFEDW-UHFFFAOYSA-N 0 0 390.443 3.389 10 30 GGEERN O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCCN(Cc2cscn2)CC1 ZINC000191123587 1432572356 /nfs/dbraw/zinc/57/23/56/1432572356.db2.gz BHHJFEYGXBINLN-UHFFFAOYSA-N 0 0 393.434 3.248 10 30 GGEERN COc1ccc(S(=O)(=O)NC2(C#N)CCCCCC2)cc1Br ZINC000194430633 1433176874 /nfs/dbraw/zinc/17/68/74/1433176874.db2.gz ZTLLLCZNHOTXMX-UHFFFAOYSA-N 0 0 387.299 3.353 10 30 GGEERN CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(CS(C)(=O)=O)c1 ZINC000194866898 1433252038 /nfs/dbraw/zinc/25/20/38/1433252038.db2.gz CVHSFPALZYMIGJ-UHFFFAOYSA-N 0 0 399.516 3.225 10 30 GGEERN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000246742822 1433658538 /nfs/dbraw/zinc/65/85/38/1433658538.db2.gz GUHLKMJVOHYWKV-SCLBCKFNSA-N 0 0 397.500 3.215 10 30 GGEERN C[C@@H]1CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H](c2ccc(F)cc2)O1 ZINC000246799163 1433669387 /nfs/dbraw/zinc/66/93/87/1433669387.db2.gz PJNCGTJTEPCYSE-GQWLDOHISA-N 0 0 379.435 3.265 10 30 GGEERN COC(=O)c1ccc(N=C2S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2C)cc1 ZINC000252626691 1433863505 /nfs/dbraw/zinc/86/35/05/1433863505.db2.gz RDSKESDAKIAMHQ-LXBZPWOBSA-N 0 0 396.424 3.436 10 30 GGEERN C(=CN=Nc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)Cc1ccco1 ZINC000252642198 1433863709 /nfs/dbraw/zinc/86/37/09/1433863709.db2.gz ZJWIWKFXVUPVGK-SBLDAYRASA-N 0 0 391.435 3.156 10 30 GGEERN COC(=O)c1ccc(N=C2S[C@H](C(=O)Nc3ccccc3)CC(=O)N2C)cc1 ZINC000252628566 1433863720 /nfs/dbraw/zinc/86/37/20/1433863720.db2.gz STANNINUXFZXMK-INIZCTEOSA-N 0 0 397.456 3.063 10 30 GGEERN COc1ccc(C=NN=C2NC(=O)/C(=C/c3ccccc3F)S2)cc1OC ZINC000252642736 1433863734 /nfs/dbraw/zinc/86/37/34/1433863734.db2.gz ZPBGKWNOAOSWRE-XYCUBALPSA-N 0 0 385.420 3.437 10 30 GGEERN CC(=O)O[C@]1(C(=O)CO)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253530559 1433868287 /nfs/dbraw/zinc/86/82/87/1433868287.db2.gz MNQKQGFLLDOCEI-ZTTBFKFJSA-N 0 0 388.504 3.382 10 30 biogenic GGEERN CC(=O)O[C@]1(C(=O)CO)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000253530558 1433868325 /nfs/dbraw/zinc/86/83/25/1433868325.db2.gz MNQKQGFLLDOCEI-QZGNAIIZSA-N 0 0 388.504 3.382 10 30 biogenic GGEERN C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1cccc(C#Cc3ccccc3)c1)CS2 ZINC000253590458 1433869784 /nfs/dbraw/zinc/86/97/84/1433869784.db2.gz GQLDJJSUUQWGTB-SIKLNZKXSA-N 0 0 376.481 3.479 10 30 GGEERN COc1ccc(N=C2S[C@@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2C)cc1 ZINC000253987034 1433870739 /nfs/dbraw/zinc/87/07/39/1433870739.db2.gz XTZWMAPAKWTAHT-MRXNPFEDSA-N 0 0 387.436 3.424 10 30 GGEERN COCCN=c1scc(-c2cc(C)n(-c3nc[nH]n3)c2C)n1N=C1CCCC1 ZINC000254294040 1433870907 /nfs/dbraw/zinc/87/09/07/1433870907.db2.gz GTGGBFCNYGULCF-UHFFFAOYSA-N 0 0 399.524 3.067 10 30 GGEERN Cc1nn(-c2ccc(C)cc2)c(Cl)c1C=NNC(=S)NC[C@H]1CCCO1 ZINC000254566530 1433871555 /nfs/dbraw/zinc/87/15/55/1433871555.db2.gz JKTZFZHPFUOMKJ-OAHLLOKOSA-N 0 0 391.928 3.120 10 30 GGEERN COc1cccc(C=NN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)c1 ZINC000254577388 1433871571 /nfs/dbraw/zinc/87/15/71/1433871571.db2.gz DVYIGNAASIEFQM-LJQANCHMSA-N 0 0 389.358 3.098 10 30 GGEERN Cc1cccn2c(=O)c(C=Nc3ccc4c(c3)OCO4)c(N3CCCC3)nc12 ZINC000254571181 1433871609 /nfs/dbraw/zinc/87/16/09/1433871609.db2.gz SEBVYWRMVJPNGW-UHFFFAOYSA-N 0 0 376.416 3.082 10 30 GGEERN CC(=NOCC(=O)OCc1cn2ccccc2c1C#N)c1ccc2c(c1)OCO2 ZINC000254746929 1433871823 /nfs/dbraw/zinc/87/18/23/1433871823.db2.gz MSSOVBOUWURDCC-UHFFFAOYSA-N 0 0 391.383 3.024 10 30 GGEERN CC(=NNC(=S)Nc1ccccc1[N+](=O)[O-])c1ccc(-n2ccnc2)cc1 ZINC000254738678 1433871854 /nfs/dbraw/zinc/87/18/54/1433871854.db2.gz GQHFMUKGYFUPSL-UHFFFAOYSA-N 0 0 380.433 3.491 10 30 GGEERN CCCN1c2ccccc2C(=NOCC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O ZINC000254759236 1433871857 /nfs/dbraw/zinc/87/18/57/1433871857.db2.gz SBWQYLUZBQMATM-UHFFFAOYSA-N 0 0 395.503 3.249 10 30 GGEERN O[C@@]1(c2ccccc2)CSC(=Nc2cccnc2)N1CCCn1ccnc1 ZINC000254740696 1433871888 /nfs/dbraw/zinc/87/18/88/1433871888.db2.gz FYXSUWLYOGAVBF-HXUWFJFHSA-N 0 0 379.489 3.250 10 30 GGEERN O[C@@]1(c2ccccc2F)CSC(=Nc2cccnc2)N1CCCn1ccnc1 ZINC000254756744 1433871912 /nfs/dbraw/zinc/87/19/12/1433871912.db2.gz FDVGSKSEGWLXPE-HXUWFJFHSA-N 0 0 397.479 3.389 10 30 GGEERN Cc1cc(CN=Nc2ncnc(N)c2[N+](=O)[O-])c(C)n1-c1ccc(C)cc1C ZINC000254804699 1433871990 /nfs/dbraw/zinc/87/19/90/1433871990.db2.gz ZJIBNDOSRCLXRV-UHFFFAOYSA-N 0 0 379.424 3.437 10 30 GGEERN CCN=c1scc(-c2ccc(O)c(C(N)=O)c2)n1N=Cc1sccc1C ZINC000254812511 1433872047 /nfs/dbraw/zinc/87/20/47/1433872047.db2.gz JDWRJZUFOVWQET-UHFFFAOYSA-N 0 0 386.502 3.194 10 30 GGEERN CCOc1ccc(S(=O)(=O)NN=Cc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000254769887 1433872060 /nfs/dbraw/zinc/87/20/60/1433872060.db2.gz UOWBWCHJSOQLNS-UHFFFAOYSA-N 0 0 394.321 3.093 10 30 GGEERN CCN(CC)S(=O)(=O)c1cccc(NN=C2C=CC(=O)c3ccccc32)c1 ZINC000254845868 1433872129 /nfs/dbraw/zinc/87/21/29/1433872129.db2.gz NNRFENJMRZKJKH-UHFFFAOYSA-N 0 0 383.473 3.286 10 30 GGEERN CC(C)N=c1ccc(C#N)cn1C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000254838265 1433872195 /nfs/dbraw/zinc/87/21/95/1433872195.db2.gz JAGSLOWBAGWYLL-OAHLLOKOSA-N 0 0 382.851 3.016 10 30 GGEERN CC[C@H]1CSC(=Nc2ccccc2)N1C(=O)c1nc2nc(C)cc(C)n2n1 ZINC000254851022 1433872260 /nfs/dbraw/zinc/87/22/60/1433872260.db2.gz IIAWWTRDZMDYEE-HNNXBMFYSA-N 0 0 380.477 3.396 10 30 GGEERN CCOC(=O)c1cnn(CCC#N)c1NC(=O)/C=C\c1nc2ccccc2s1 ZINC000254914210 1433872302 /nfs/dbraw/zinc/87/23/02/1433872302.db2.gz DUFMALHUHKIFAY-HJWRWDBZSA-N 0 0 395.444 3.235 10 30 GGEERN C[C@@H]1C[C@@H](C)CN(C(=O)CON=CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000254866749 1433872324 /nfs/dbraw/zinc/87/23/24/1433872324.db2.gz RHFYGWZRNHQSAS-CHWSQXEVSA-N 0 0 385.386 3.151 10 30 GGEERN O=C(CCNC(=O)C1N=CC=CC1=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000255420468 1433882512 /nfs/dbraw/zinc/88/25/12/1433882512.db2.gz FNTMCGYRBJCPQF-CWJYSFMFSA-N 0 0 389.455 3.003 10 30 GGEERN O=C(CCNC(=O)C1N=CC=CC1=O)N(Cc1ccccc1)c1ccccc1 ZINC000255836557 1433889927 /nfs/dbraw/zinc/88/99/27/1433889927.db2.gz HWILSRHOYTYQKD-QURGRASLSA-N 0 0 375.428 3.136 10 30 GGEERN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)Cc1nccn1CC(F)(F)F ZINC000264047229 1434066080 /nfs/dbraw/zinc/06/60/80/1434066080.db2.gz GPELHHUMUIVYDQ-CSLYMUCUSA-N 0 0 399.461 3.197 10 30 GGEERN C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000266803463 1434377224 /nfs/dbraw/zinc/37/72/24/1434377224.db2.gz HEJIURRYQMULGW-GHXQLAGASA-N 0 0 395.381 3.141 10 30 GGEERN N#Cc1ccc(NC(=O)N2CCN(Cc3cn4ccccc4n3)CC2)c(Cl)c1 ZINC000269100021 1434592247 /nfs/dbraw/zinc/59/22/47/1434592247.db2.gz FTRITGORNVSIDJ-UHFFFAOYSA-N 0 0 394.866 3.209 10 30 GGEERN COc1ccc(OC)c(CCNC(=O)CCCC(=O)Nc2ccccc2C#N)c1 ZINC000269259792 1434614975 /nfs/dbraw/zinc/61/49/75/1434614975.db2.gz ATAKKPGUMUAUJP-UHFFFAOYSA-N 0 0 395.459 3.043 10 30 GGEERN C#CCCN1CCN([C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000271991861 1434864274 /nfs/dbraw/zinc/86/42/74/1434864274.db2.gz FFMRZQVBQHWPHO-FQEVSTJZSA-N 0 0 375.516 3.245 10 30 GGEERN CCCCCC(=O)NC1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000272278791 1434883843 /nfs/dbraw/zinc/88/38/43/1434883843.db2.gz FIQCWOVSFXEWSA-NRFANRHFSA-N 0 0 396.535 3.215 10 30 GGEERN O=C(CNC(=O)c1ccc(F)c(F)c1)N(CCC(F)(F)F)CC(F)(F)F ZINC000279157004 1435465809 /nfs/dbraw/zinc/46/58/09/1435465809.db2.gz DHMUJQJFIPPZBI-UHFFFAOYSA-N 0 0 392.246 3.038 10 30 GGEERN COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1cccc(N2CCC2=O)c1 ZINC000279678845 1435528363 /nfs/dbraw/zinc/52/83/63/1435528363.db2.gz FDGRWAYTCXPXIL-INIZCTEOSA-N 0 0 392.459 3.179 10 30 GGEERN C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(c2cc(C)ccc2C)CC1 ZINC000282203957 1435838300 /nfs/dbraw/zinc/83/83/00/1435838300.db2.gz HGMIMYWIDCUVEZ-LJQANCHMSA-N 0 0 399.539 3.132 10 30 GGEERN C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(C)C[C@H](C)C#N ZINC000282504576 1435849553 /nfs/dbraw/zinc/84/95/53/1435849553.db2.gz FBPGATBVGZPFBO-OAHLLOKOSA-N 0 0 391.479 3.018 10 30 GGEERN CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCCO1 ZINC000282918642 1435866115 /nfs/dbraw/zinc/86/61/15/1435866115.db2.gz FRBYSZHNZLCJOK-LJQANCHMSA-N 0 0 383.496 3.249 10 30 GGEERN C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCOC1 ZINC000282934721 1435866717 /nfs/dbraw/zinc/86/67/17/1435866717.db2.gz HCWBKOTWOFVSEO-QWHCGFSZSA-N 0 0 377.851 3.370 10 30 GGEERN C=CCOc1ccc(C[NH2+][C@@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])cc1 ZINC000426740204 1126085489 /nfs/dbraw/zinc/08/54/89/1126085489.db2.gz ABQHHCQMHFVEQK-FQEVSTJZSA-N 0 0 395.415 3.426 10 30 GGEERN COc1cc(C[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C(=O)[O-])cc(OC)c1 ZINC000594691475 1126098622 /nfs/dbraw/zinc/09/86/22/1126098622.db2.gz SMEIDDCSYOLCEB-HXUWFJFHSA-N 0 0 380.444 3.044 10 30 GGEERN CN(CCC#N)c1ccc(C[NH2+][C@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])cc1 ZINC000841794695 1126111654 /nfs/dbraw/zinc/11/16/54/1126111654.db2.gz AUXRINDVOJBHBW-OAQYLSRUSA-N 0 0 394.450 3.442 10 30 GGEERN C[C@H](NC(=O)c1cccc(S(=O)(=O)NCCC#N)c1)c1cccc(Cl)c1 ZINC000012793322 230881846 /nfs/dbraw/zinc/88/18/46/230881846.db2.gz CRRLYCULNVHZOP-ZDUSSCGKSA-N 0 0 391.880 3.023 10 30 GGEERN N#Cc1c(N)n[nH]c1CCCCCN=Cc1cc(Br)ccc1O ZINC000097931231 231003031 /nfs/dbraw/zinc/00/30/31/231003031.db2.gz KHMSIPBXIRGELX-KEBDBYFISA-N 0 0 376.258 3.164 10 30 GGEERN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)COc1ccccc1C#N ZINC000018224293 210218306 /nfs/dbraw/zinc/21/83/06/210218306.db2.gz WSWLKJVFBCFHDB-UHFFFAOYSA-N 0 0 382.445 3.487 10 30 GGEERN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCN(C)c2nc3ccccc3nc21 ZINC000017364669 210209700 /nfs/dbraw/zinc/20/97/00/210209700.db2.gz OKIFEXYGZLJIIE-HNNXBMFYSA-N 0 0 387.443 3.142 10 30 GGEERN C=CCN1C(=O)/C(=C\c2ccco2)S/C1=N/S(=O)(=O)c1ccc(F)cc1 ZINC000096839907 120334352 /nfs/dbraw/zinc/33/43/52/120334352.db2.gz YPKUZIQZSIOKDP-FFAYTRQJSA-N 0 0 392.433 3.266 10 30 GGEERN Cc1nn(-c2nc3ccccc3n2C)c2c1[C@@H](c1ccc(C#N)cc1)CC(=O)N2 ZINC000015868252 210176312 /nfs/dbraw/zinc/17/63/12/210176312.db2.gz AQIGVQJDGHBUBB-MRXNPFEDSA-N 0 0 382.427 3.413 10 30 GGEERN CC[C@@]1(c2ccccc2)NC(=O)N(Cc2c(C#N)c(C)nn2-c2ccccc2)C1=O ZINC000015520036 210157649 /nfs/dbraw/zinc/15/76/49/210157649.db2.gz KEAIGUGAUJPMSR-QHCPKHFHSA-N 0 0 399.454 3.410 10 30 GGEERN N#Cc1ccccc1S(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccccc1 ZINC000015395608 210155523 /nfs/dbraw/zinc/15/55/23/210155523.db2.gz IEWKHLMHZBLUEA-UHFFFAOYSA-N 0 0 397.500 3.156 10 30 GGEERN CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)OCc1cn2ccccc2c1C#N ZINC000014852584 210128883 /nfs/dbraw/zinc/12/88/83/210128883.db2.gz KWRPCQSMHGWNMJ-QFIPXVFZSA-N 0 0 389.455 3.238 10 30 GGEERN N#Cc1ccccc1S(=O)(=O)NCc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000014123032 210104150 /nfs/dbraw/zinc/10/41/50/210104150.db2.gz TYOLXFGMQMWOBU-UHFFFAOYSA-N 0 0 391.452 3.289 10 30 GGEERN C=CCn1c(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)nc2ccsc2c1=O ZINC000014019096 210099360 /nfs/dbraw/zinc/09/93/60/210099360.db2.gz XMEUXFMEVOKBPY-KPZWWZAWSA-N 0 0 390.534 3.179 10 30 GGEERN Cc1ccc([S@](C)(=O)=N/C=C2\C(=O)c3sccc3N(C)S2(=O)=O)cc1 ZINC000013466269 210063656 /nfs/dbraw/zinc/06/36/56/210063656.db2.gz SHOGBLPHXSBQCH-ZXFWNXIDSA-N 0 0 396.515 3.017 10 30 GGEERN CCOc1cc2c(cc1CNC(=O)c1ccc(NC(=O)CC#N)cc1)O[C@@H](C)C2 ZINC000012975300 210038680 /nfs/dbraw/zinc/03/86/80/210038680.db2.gz HYZUEVZMDXPPAG-AWEZNQCLSA-N 0 0 393.443 3.191 10 30 GGEERN CC(C)[C@@H](NS(=O)(=O)c1ccccc1C#N)c1ccc2c(c1)OCCCO2 ZINC000012991715 210041854 /nfs/dbraw/zinc/04/18/54/210041854.db2.gz YORHMCWRXOINEN-HXUWFJFHSA-N 0 0 386.473 3.395 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O=C(Nc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1 ZINC000035379940 527180303 /nfs/dbraw/zinc/18/03/03/527180303.db2.gz BSDYZMOBHKOCLF-UHFFFAOYSA-N 0 0 392.868 3.455 10 30 GGEERN C=CCn1c(SCc2ccccc2C(=O)N2CCOCC2)nnc1C(C)C ZINC000096290715 527343208 /nfs/dbraw/zinc/34/32/08/527343208.db2.gz ZFKIUTGOBYGWSP-UHFFFAOYSA-N 0 0 386.521 3.352 10 30 GGEERN C#Cc1cccc(NC(=O)CNC(=O)N[C@H]2C[C@H](OCC)C23CCCCC3)c1 ZINC000097012481 527453039 /nfs/dbraw/zinc/45/30/39/527453039.db2.gz AUTMZSWBNQIYOM-OALUTQOASA-N 0 0 383.492 3.034 10 30 GGEERN O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000006561704 527620621 /nfs/dbraw/zinc/62/06/21/527620621.db2.gz NNFMEDJCUJTYOX-YCRREMRBSA-N 0 0 385.441 3.096 10 30 GGEERN O=C(/C=C/c1cn(C[C@@H](O)CN2CCOCC2)c2ccccc12)c1ccccc1 ZINC000019901314 527646060 /nfs/dbraw/zinc/64/60/60/527646060.db2.gz YRRRNKDXKFWBFE-ZJVMWOEPSA-N 0 0 390.483 3.231 10 30 GGEERN O=C(N=C(NCc1ccncc1)Nc1cccc(F)c1)c1ccc2c(c1)OCO2 ZINC000035481008 527660590 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C=CCn1c(SCC(=O)N[C@@H](C)c2ccco2)nc2ccsc2c1=O ZINC000009112656 564253178 /nfs/dbraw/zinc/25/31/78/564253178.db2.gz IPJGSTUIVVGNJJ-NSHDSACASA-N 0 0 375.475 3.207 10 30 GGEERN C=CCn1c(SCC(=O)N[C@H](C)c2ccco2)nc2ccsc2c1=O ZINC000009112657 564253245 /nfs/dbraw/zinc/25/32/45/564253245.db2.gz IPJGSTUIVVGNJJ-LLVKDONJSA-N 0 0 375.475 3.207 10 30 GGEERN C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000119073173 564253244 /nfs/dbraw/zinc/25/32/44/564253244.db2.gz FUZLPIAUELTCOG-ADLMAVQZSA-N 0 0 388.265 3.493 10 30 GGEERN C[C@@H]1CCC[C@](C#N)(NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000119073340 564253267 /nfs/dbraw/zinc/25/32/67/564253267.db2.gz FUZLPIAUELTCOG-ZMZPIMSZSA-N 0 0 388.265 3.493 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000119314065 564264685 /nfs/dbraw/zinc/26/46/85/564264685.db2.gz GGHWVVKEFTYAFY-UHFFFAOYSA-N 0 0 396.248 3.344 10 30 GGEERN C#CCOc1ccc(Br)cc1C=NNC(=S)NCc1ccco1 ZINC000015303782 564285751 /nfs/dbraw/zinc/28/57/51/564285751.db2.gz 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N#Cc1cc(S(=O)(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)ccc1F ZINC000125815475 564528211 /nfs/dbraw/zinc/52/82/11/564528211.db2.gz DONLAZCMHUJIPR-CZUORRHYSA-N 0 0 380.466 3.036 10 30 GGEERN C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(Cl)cc2)c1 ZINC000126024395 564534160 /nfs/dbraw/zinc/53/41/60/564534160.db2.gz BGYZWOOJZJTFAW-CYBMUJFWSA-N 0 0 378.881 3.295 10 30 GGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(OC)cc1I ZINC000126155463 564538807 /nfs/dbraw/zinc/53/88/07/564538807.db2.gz LTIBNQAZTGGOEF-UHFFFAOYSA-N 0 0 399.150 3.490 10 30 GGEERN CC(C)C(=O)N1CCN(CC(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000051594334 564566049 /nfs/dbraw/zinc/56/60/49/564566049.db2.gz OWIVTAXCPOZLEF-UHFFFAOYSA-N 0 0 378.523 3.260 10 30 GGEERN N#Cc1ccc(OCC(=O)N[C@H]2CCOc3ccc(Br)cc32)cc1 ZINC000053411590 564587741 /nfs/dbraw/zinc/58/77/41/564587741.db2.gz IRZXDWQGXPFKEI-INIZCTEOSA-N 0 0 387.233 3.340 10 30 GGEERN C=CCN(CC(F)(F)F)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000127851444 564598577 /nfs/dbraw/zinc/59/85/77/564598577.db2.gz HACACSFZKXWUPY-UHFFFAOYSA-N 0 0 381.148 3.477 10 30 GGEERN CC[C@H](CC#N)NC(=O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000128056072 564605834 /nfs/dbraw/zinc/60/58/34/564605834.db2.gz KDBWKJHYNZJQOR-SNVBAGLBSA-N 0 0 377.750 3.028 10 30 GGEERN CN(CCCOc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000055244694 564617332 /nfs/dbraw/zinc/61/73/32/564617332.db2.gz RCIFUXOYACKHRU-UHFFFAOYSA-N 0 0 382.844 3.440 10 30 GGEERN C=CCn1c(SCc2nsc(N(C)C)n2)nc2sc(C)c(C)c2c1=O ZINC000128401743 564617651 /nfs/dbraw/zinc/61/76/51/564617651.db2.gz LQWMPWPUPPZDPY-UHFFFAOYSA-N 0 0 393.563 3.471 10 30 GGEERN CN(CCS(=O)(=O)c1cccc(C#N)c1)Cc1cc(Br)cs1 ZINC000128480060 564620295 /nfs/dbraw/zinc/62/02/95/564620295.db2.gz GMMGUZZMXHEQBW-UHFFFAOYSA-N 0 0 399.335 3.288 10 30 GGEERN N#Cc1cc(S(=O)(=O)Nc2cccc(NC(=O)C3CC3)c2)ccc1Cl ZINC000055583296 564624405 /nfs/dbraw/zinc/62/44/05/564624405.db2.gz ONPXTQOCIVVBIY-UHFFFAOYSA-N 0 0 375.837 3.361 10 30 GGEERN N#Cc1cc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1Cl ZINC000055569576 564624770 /nfs/dbraw/zinc/62/47/70/564624770.db2.gz AYAKMOSBEPKMRG-UHFFFAOYSA-N 0 0 375.837 3.139 10 30 GGEERN CCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000055591391 564625161 /nfs/dbraw/zinc/62/51/61/564625161.db2.gz XDRBRDUPWLLYMV-UHFFFAOYSA-N 0 0 377.853 3.152 10 30 GGEERN CN(C)C(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1Cl ZINC000055588687 564625725 /nfs/dbraw/zinc/62/57/25/564625725.db2.gz GVQQPWBYWNSLOX-UHFFFAOYSA-N 0 0 398.271 3.368 10 30 GGEERN COCCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c(C)c1 ZINC000055643412 564627565 /nfs/dbraw/zinc/62/75/65/564627565.db2.gz UJAYGVPLUATCKY-UHFFFAOYSA-N 0 0 380.853 3.346 10 30 GGEERN N#Cc1cc(S(=O)(=O)Nc2ccc(-n3cccn3)c(F)c2)ccc1Cl ZINC000055644798 564628202 /nfs/dbraw/zinc/62/82/02/564628202.db2.gz PRFXLEAEHVDIRX-UHFFFAOYSA-N 0 0 376.800 3.337 10 30 GGEERN C=CCNC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)c1 ZINC000055959133 564635025 /nfs/dbraw/zinc/63/50/25/564635025.db2.gz PSGAAOGQOOCKHR-UHFFFAOYSA-N 0 0 378.881 3.077 10 30 GGEERN C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2cccc(Cl)c2)c1 ZINC000055969355 564635872 /nfs/dbraw/zinc/63/58/72/564635872.db2.gz PRJWQZCCPDZBID-CYBMUJFWSA-N 0 0 378.881 3.295 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCc2coc(-c3cccs3)n2)ccc1Cl ZINC000056003817 564636663 /nfs/dbraw/zinc/63/66/63/564636663.db2.gz ARTREWXPGHICSD-UHFFFAOYSA-N 0 0 379.850 3.407 10 30 GGEERN Cc1cn2c(CN(C)S(=O)(=O)c3ccc(Cl)c(C#N)c3)c(C)nc2s1 ZINC000056057295 564638528 /nfs/dbraw/zinc/63/85/28/564638528.db2.gz PVQLELVMJLPCAQ-UHFFFAOYSA-N 0 0 394.909 3.358 10 30 GGEERN C[C@@H](C#N)CN(C)S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000056057803 564638743 /nfs/dbraw/zinc/63/87/43/564638743.db2.gz HFJFRQNUXLLSBR-QMMMGPOBSA-N 0 0 385.205 3.248 10 30 GGEERN N#Cc1ccc(CSCC(=O)Nc2c[nH]cc(Br)c2=O)cc1 ZINC000129602436 564654603 /nfs/dbraw/zinc/65/46/03/564654603.db2.gz MSPLYEUGXUILNP-UHFFFAOYSA-N 0 0 378.251 3.293 10 30 GGEERN Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1cc(F)cc(Br)c1 ZINC000057675512 564671062 /nfs/dbraw/zinc/67/10/62/564671062.db2.gz UBDKYEBBQAWJJL-UHFFFAOYSA-N 0 0 390.212 3.023 10 30 GGEERN CCN(CC)S(=O)(=O)c1ccc(SCc2cc(F)ccc2C#N)nc1 ZINC000130277606 564675213 /nfs/dbraw/zinc/67/52/13/564675213.db2.gz RJVBDEFKCILQBX-UHFFFAOYSA-N 0 0 379.482 3.415 10 30 GGEERN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cc(S(C)(=O)=O)cs2)cc1 ZINC000130539701 564684957 /nfs/dbraw/zinc/68/49/57/564684957.db2.gz KCNYQRILAHRCPW-OAHLLOKOSA-N 0 0 376.503 3.444 10 30 GGEERN C=CCCCN(C)C(=O)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000130577488 564686254 /nfs/dbraw/zinc/68/62/54/564686254.db2.gz VXOCCNUDQMMSEW-UHFFFAOYSA-N 0 0 381.929 3.256 10 30 GGEERN CS(=O)(=O)c1csc(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)c1 ZINC000131024888 564698714 /nfs/dbraw/zinc/69/87/14/564698714.db2.gz UBMRGJRFGRKWIS-LBPRGKRZSA-N 0 0 389.285 3.453 10 30 GGEERN CCCCOc1ncccc1CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000063629444 564719391 /nfs/dbraw/zinc/71/93/91/564719391.db2.gz FJSUJJBTKFMFFT-UHFFFAOYSA-N 0 0 379.869 3.264 10 30 GGEERN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)c1ccccc1Br ZINC000063816104 564723673 /nfs/dbraw/zinc/72/36/73/564723673.db2.gz PVGZJNJYOHLACR-GFCCVEGCSA-N 0 0 386.249 3.445 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000132090364 564733946 /nfs/dbraw/zinc/73/39/46/564733946.db2.gz DPPHZHVUQGXJJD-CYBMUJFWSA-N 0 0 379.243 3.343 10 30 GGEERN C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000132260996 564737433 /nfs/dbraw/zinc/73/74/33/564737433.db2.gz QQKGCKCGFUDPGJ-MRVPVSSYSA-N 0 0 392.175 3.167 10 30 GGEERN CN(CCCCNS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000064952896 564737807 /nfs/dbraw/zinc/73/78/07/564737807.db2.gz MXKFOJZAJBRQHX-UHFFFAOYSA-N 0 0 377.897 3.407 10 30 GGEERN N#CC1(NC(=O)CCc2nc(-c3cc(Br)cs3)no2)CCCC1 ZINC000065056880 564738306 /nfs/dbraw/zinc/73/83/06/564738306.db2.gz HNVDAYMSCIQXHT-UHFFFAOYSA-N 0 0 395.282 3.446 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NCCCCOCc2ccccc2)cc1Cl ZINC000065266828 564741418 /nfs/dbraw/zinc/74/14/18/564741418.db2.gz XPYUNSNVXDBYDW-UHFFFAOYSA-N 0 0 378.881 3.487 10 30 GGEERN CCCCNC(=O)[C@@H](C#N)C(=O)[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000132701391 564751168 /nfs/dbraw/zinc/75/11/68/564751168.db2.gz JOZWGFITHOYPDP-YPMHNXCESA-N 0 0 383.261 3.392 10 30 GGEERN C=CCN(CC(F)(F)F)C(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1 ZINC000066292209 564760516 /nfs/dbraw/zinc/76/05/16/564760516.db2.gz HRZZBUPTDKWCLH-NSHDSACASA-N 0 0 378.391 3.463 10 30 GGEERN Cc1cc(S(N)(=O)=O)sc1C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000066856291 564776851 /nfs/dbraw/zinc/77/68/51/564776851.db2.gz ZGLBHJGMABUUEP-NSHDSACASA-N 0 0 395.531 3.351 10 30 GGEERN CCNC(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000067124350 564784983 /nfs/dbraw/zinc/78/49/83/564784983.db2.gz VWWFWOXEDDNWHC-UHFFFAOYSA-N 0 0 378.841 3.154 10 30 GGEERN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@H](c2ccccc2)O1 ZINC000067879056 564801607 /nfs/dbraw/zinc/80/16/07/564801607.db2.gz HZSMGLYYAIVCTQ-SCLBCKFNSA-N 0 0 376.865 3.362 10 30 GGEERN N#Cc1ccc(CNC(=O)NCCOc2ncc(Cl)cc2Cl)c(F)c1 ZINC000134867205 564817458 /nfs/dbraw/zinc/81/74/58/564817458.db2.gz LHGGNJDZBRNCOP-UHFFFAOYSA-N 0 0 383.210 3.277 10 30 GGEERN C=CCCCN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000135098734 564824005 /nfs/dbraw/zinc/82/40/05/564824005.db2.gz VNBASEWANQOBOI-UHFFFAOYSA-N 0 0 384.929 3.165 10 30 GGEERN C=CCCCN(C)C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000135653223 564838384 /nfs/dbraw/zinc/83/83/84/564838384.db2.gz DZOHJPJPUPHLBL-UHFFFAOYSA-N 0 0 378.519 3.265 10 30 GGEERN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000135744159 564840049 /nfs/dbraw/zinc/84/00/49/564840049.db2.gz UASAVFZMZWZWRH-YVEFUNNKSA-N 0 0 376.865 3.224 10 30 GGEERN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000135753471 564840064 /nfs/dbraw/zinc/84/00/64/564840064.db2.gz WCWGWRVZYYTZFK-XIKOKIGWSA-N 0 0 376.865 3.224 10 30 GGEERN C[C@H]([C@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000135742379 564840368 /nfs/dbraw/zinc/84/03/68/564840368.db2.gz YTSJSDBVHIXDSE-KZULUSFZSA-N 0 0 376.865 3.224 10 30 GGEERN C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)c1cccc(Br)c1 ZINC000135799834 564840389 /nfs/dbraw/zinc/84/03/89/564840389.db2.gz BWNOIWWYNAPKNE-JTQLQIEISA-N 0 0 390.212 3.276 10 30 GGEERN C=CCN(CC1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)CC)cc1 ZINC000069869527 564846195 /nfs/dbraw/zinc/84/61/95/564846195.db2.gz NSGANCAYHMZCSW-UHFFFAOYSA-N 0 0 385.551 3.237 10 30 GGEERN C=CCN(CC(F)(F)F)C(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F ZINC000070450634 564849179 /nfs/dbraw/zinc/84/91/79/564849179.db2.gz DGPSMDSVDSULGB-NSHDSACASA-N 0 0 376.322 3.168 10 30 GGEERN O=C1N[C@@H](c2ccc(F)cc2)C(=O)C(c2ccc(Br)cc2)C1=O ZINC000136639028 564852593 /nfs/dbraw/zinc/85/25/93/564852593.db2.gz OMOXOKUXXGGWSN-AWEZNQCLSA-N 0 0 376.181 3.298 10 30 GGEERN COC(=O)c1ccc(S(=O)(=O)N(CCC#N)c2ccccc2)cc1Cl ZINC000137483914 564863118 /nfs/dbraw/zinc/86/31/18/564863118.db2.gz YQVKRBXDZCXPER-UHFFFAOYSA-N 0 0 378.837 3.236 10 30 GGEERN CCn1c2ccc(Br)cc2[nH]c1=NC(=O)c1sccc1C#N ZINC000092117224 564875355 /nfs/dbraw/zinc/87/53/55/564875355.db2.gz ZNBXMZASSVHABN-UHFFFAOYSA-N 0 0 375.251 3.426 10 30 GGEERN C=CCOc1c(Br)cc(CN2CCC[C@H](C(=O)OC)C2)cc1OC ZINC000092643815 564879329 /nfs/dbraw/zinc/87/93/29/564879329.db2.gz MLXZVCQDZOCMQB-AWEZNQCLSA-N 0 0 398.297 3.408 10 30 GGEERN Cc1cc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1C(=O)N(C)C ZINC000150871402 564895032 /nfs/dbraw/zinc/89/50/32/564895032.db2.gz KGZQIOZWOVNZEM-UHFFFAOYSA-N 0 0 377.853 3.023 10 30 GGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)c1cnn2cc(Br)cnc12 ZINC000094068195 564895423 /nfs/dbraw/zinc/89/54/23/564895423.db2.gz HPWLLBHVMGWEOU-UHFFFAOYSA-N 0 0 396.248 3.192 10 30 GGEERN N#C[C@@H]1CN(C(=O)Nc2ccc(C(F)(F)F)cc2Br)CCO1 ZINC000151469426 564921387 /nfs/dbraw/zinc/92/13/87/564921387.db2.gz FDJYXXUGUQVOLA-SECBINFHSA-N 0 0 378.148 3.224 10 30 GGEERN Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1sccc1C#N ZINC000101844922 564923398 /nfs/dbraw/zinc/92/33/98/564923398.db2.gz AIFQLEUIQGSLPN-UHFFFAOYSA-N 0 0 392.278 3.449 10 30 GGEERN C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCc1nc(C)no1 ZINC000102033809 564924997 /nfs/dbraw/zinc/92/49/97/564924997.db2.gz KKXGRSMDEAVANY-UHFFFAOYSA-N 0 0 397.248 3.220 10 30 GGEERN C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(O)c(Br)c1 ZINC000151589463 564928462 /nfs/dbraw/zinc/92/84/62/564928462.db2.gz IQTICRKYYYYXCO-LLVKDONJSA-N 0 0 375.222 3.110 10 30 GGEERN N#Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)c(F)c1 ZINC000151677576 564932509 /nfs/dbraw/zinc/93/25/09/564932509.db2.gz ZQYWZAOOGCNTPX-UHFFFAOYSA-N 0 0 378.157 3.298 10 30 GGEERN N#Cc1ccsc1C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000102908675 564938893 /nfs/dbraw/zinc/93/88/93/564938893.db2.gz GOIGEFRFRGCITJ-UHFFFAOYSA-N 0 0 377.828 3.010 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)ccc1F ZINC000103156309 564943888 /nfs/dbraw/zinc/94/38/88/564943888.db2.gz IDMSRGKLTSSJED-KRWDZBQOSA-N 0 0 380.828 3.113 10 30 GGEERN CCN1C(=O)/C(=C\c2ccco2)S/C1=N\S(=O)(=O)c1ccc(F)cc1 ZINC000103709608 564950475 /nfs/dbraw/zinc/95/04/75/564950475.db2.gz JQDFYTFTHOJDRS-MNTGGVIJSA-N 0 0 380.422 3.100 10 30 GGEERN O=C1NC(=Cc2ccc(Br)cc2)C(=O)C1=CNCc1ccccc1 ZINC000104251662 564954037 /nfs/dbraw/zinc/95/40/37/564954037.db2.gz IJGYTFDJDWWEMP-VMHPKHSQSA-N 0 0 383.245 3.163 10 30 GGEERN Cc1cc(S(=O)(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(C)s1 ZINC000104746564 564959486 /nfs/dbraw/zinc/95/94/86/564959486.db2.gz NEQIORMDWBTVPP-UHFFFAOYSA-N 0 0 376.503 3.469 10 30 GGEERN N#Cc1ccc(CNC(=O)c2ccc(F)cc2I)c(F)c1 ZINC000105586948 564968562 /nfs/dbraw/zinc/96/85/62/564968562.db2.gz OCFBUFLZUYYSDV-UHFFFAOYSA-N 0 0 398.150 3.371 10 30 GGEERN N#Cc1ccc(CNS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c(F)c1 ZINC000105621385 564970513 /nfs/dbraw/zinc/97/05/13/564970513.db2.gz XJPZULZPZYXELG-UHFFFAOYSA-N 0 0 390.770 3.431 10 30 GGEERN N#Cc1ccc(CNC(=O)c2ccc(F)c(I)c2)c(F)c1 ZINC000152813959 564972833 /nfs/dbraw/zinc/97/28/33/564972833.db2.gz YOJNLUWSPRUTBR-UHFFFAOYSA-N 0 0 398.150 3.371 10 30 GGEERN C=C(C)COCCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000152843396 564974037 /nfs/dbraw/zinc/97/40/37/564974037.db2.gz IWLVSDQZVIPTAL-UHFFFAOYSA-N 0 0 378.270 3.266 10 30 GGEERN N#Cc1cc(F)ccc1NC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000152913191 564977365 /nfs/dbraw/zinc/97/73/65/564977365.db2.gz PBJSKNBXKHFCGL-OAHLLOKOSA-N 0 0 378.201 3.315 10 30 GGEERN Cc1nn(C)c(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000106368491 564983144 /nfs/dbraw/zinc/98/31/44/564983144.db2.gz NMWIRJQLXOHACK-INIZCTEOSA-N 0 0 378.885 3.088 10 30 GGEERN C=CCn1c(C2CC2)nnc1S(=O)(=O)Cc1csc(Br)c1 ZINC000153098373 564984542 /nfs/dbraw/zinc/98/45/42/564984542.db2.gz FYABMVNCAJOILS-UHFFFAOYSA-N 0 0 388.312 3.139 10 30 GGEERN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N(CC#N)C1CCCC1 ZINC000153432121 564994406 /nfs/dbraw/zinc/99/44/06/564994406.db2.gz NLMVDGOWCGIVKI-UHFFFAOYSA-N 0 0 399.310 3.069 10 30 GGEERN C[C@H](C#N)NC(=O)c1cnn(-c2ncc(Cl)cc2Cl)c1C(F)(F)F ZINC000107572535 565000876 /nfs/dbraw/zinc/00/08/76/565000876.db2.gz NHXOPNKOGCDWCF-ZCFIWIBFSA-N 0 0 378.141 3.235 10 30 GGEERN N#C[C@H](NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1)C1CC1 ZINC000108829230 565017424 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N#CC[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2Br)C1 ZINC000296600010 565325637 /nfs/dbraw/zinc/32/56/37/565325637.db2.gz VEZNNCXPWCBKCE-ONGXEEELSA-N 0 0 384.661 3.240 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)CCOc2ccccc2I)C1 ZINC000296809263 565338042 /nfs/dbraw/zinc/33/80/42/565338042.db2.gz GGASIHBUEMRZNH-STQMWFEESA-N 0 0 398.244 3.259 10 30 GGEERN CC(C)(CC#N)CS(=O)(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000296854975 565341275 /nfs/dbraw/zinc/34/12/75/565341275.db2.gz YLIFUGRXOTYYRB-ZDUSSCGKSA-N 0 0 387.299 3.132 10 30 GGEERN COc1cc(Br)ccc1CNC(=O)NCc1ccc(C#N)cc1F ZINC000187594897 565344051 /nfs/dbraw/zinc/34/40/51/565344051.db2.gz NXUXLYRPPLNGPO-UHFFFAOYSA-N 0 0 392.228 3.468 10 30 GGEERN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000374584396 565345867 /nfs/dbraw/zinc/34/58/67/565345867.db2.gz KLJCDDDNVZHXDU-WDEREUQCSA-N 0 0 392.344 3.126 10 30 GGEERN C=C[C@@](C)(CCOC)C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000187688899 565349590 /nfs/dbraw/zinc/34/95/90/565349590.db2.gz 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/nfs/dbraw/zinc/39/41/70/565394170.db2.gz JUEMUOCANIGHHN-BXUZGUMPSA-N 0 0 380.286 3.071 10 30 GGEERN C[C@@](O)(CNC(=O)N[C@@H](CC(F)(F)F)c1ccc(F)cc1)C(F)(F)F ZINC000275175936 565395253 /nfs/dbraw/zinc/39/52/53/565395253.db2.gz XVLYBTIQQYMWGP-CMPLNLGQSA-N 0 0 376.272 3.432 10 30 GGEERN N#Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c(F)c1 ZINC000170940582 565399500 /nfs/dbraw/zinc/39/95/00/565399500.db2.gz MYUCFMGIVCRNCE-UHFFFAOYSA-N 0 0 376.306 3.334 10 30 GGEERN COc1cc(C(=O)NCc2ccc(C#N)cc2F)cc(OC)c1Br ZINC000170932170 565399893 /nfs/dbraw/zinc/39/98/93/565399893.db2.gz KPXZTVKKZHVEJV-UHFFFAOYSA-N 0 0 393.212 3.407 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000298160153 565401635 /nfs/dbraw/zinc/40/16/35/565401635.db2.gz PSSITHCNTLPCMD-AVGNSLFASA-N 0 0 386.279 3.115 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)N(CCO)Cc2cc(Br)ccc2F)C1 ZINC000298173586 565403056 /nfs/dbraw/zinc/40/30/56/565403056.db2.gz QWTAJAARMOBRTJ-WFASDCNBSA-N 0 0 398.276 3.174 10 30 GGEERN N#C[C@H](NC(=O)[C@@H]1CC(=O)Nc2ccccc21)c1cccc(Br)c1 ZINC000171037112 565403875 /nfs/dbraw/zinc/40/38/75/565403875.db2.gz STJDUAYDKCFEDO-ZBFHGGJFSA-N 0 0 384.233 3.256 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)NCc2cc3c(c(Br)c2)OCO3)C1 ZINC000298350485 565409283 /nfs/dbraw/zinc/40/92/83/565409283.db2.gz HHBFTOLLYREZDY-JQWIXIFHSA-N 0 0 380.242 3.059 10 30 GGEERN C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1Cl ZINC000171106468 565410706 /nfs/dbraw/zinc/41/07/06/565410706.db2.gz DJNILDYJCBHRFC-LLVKDONJSA-N 0 0 376.243 3.472 10 30 GGEERN CN(C[C@@H](O)c1cccc(Br)c1)C(=O)NCC1CCC(C#N)CC1 ZINC000298583986 565421734 /nfs/dbraw/zinc/42/17/34/565421734.db2.gz LRHPOFGYJKANJI-MQBCKMQZSA-N 0 0 394.313 3.454 10 30 GGEERN N#Cc1ccc(NC(=O)N2CCCN(Cc3cscn3)CC2)cc1Cl ZINC000171246273 565421818 /nfs/dbraw/zinc/42/18/18/565421818.db2.gz DRLIJPODSIPRRL-UHFFFAOYSA-N 0 0 375.885 3.408 10 30 GGEERN N#Cc1ccc(C2(C(=O)NCc3cc4c(c(Br)c3)OCO4)CC2)cc1 ZINC000188802100 565425275 /nfs/dbraw/zinc/42/52/75/565425275.db2.gz XBIICRDIQXYMHG-UHFFFAOYSA-N 0 0 399.244 3.397 10 30 GGEERN C#CCN(C(=O)/C=C/c1ccncn1)[C@H]1CCOc2ccc(Br)cc21 ZINC000376350392 565432122 /nfs/dbraw/zinc/43/21/22/565432122.db2.gz IJPQXSFFHLPFHY-YXMMZVCTSA-N 0 0 398.260 3.238 10 30 GGEERN N#Cc1ccc(CNC(=O)NCCOc2cccc(Br)c2)c(F)c1 ZINC000171483743 565434176 /nfs/dbraw/zinc/43/41/76/565434176.db2.gz AFBPLINUQNKTCG-UHFFFAOYSA-N 0 0 392.228 3.338 10 30 GGEERN COC(=O)c1cc(NC(=O)c2cccc(F)c2C#N)ccc1Br ZINC000188967686 565435012 /nfs/dbraw/zinc/43/50/12/565435012.db2.gz ZFYCDUBSFYCQLY-UHFFFAOYSA-N 0 0 377.169 3.499 10 30 GGEERN CS(=O)(=O)N(Cc1ccc(C#N)cc1F)c1cccc(Br)c1 ZINC000171611756 565439605 /nfs/dbraw/zinc/43/96/05/565439605.db2.gz BIVDLPLFPKABAM-UHFFFAOYSA-N 0 0 383.242 3.426 10 30 GGEERN C[C@@H]1CN(Cc2ccc(Br)cc2C#N)C[C@]2(CCO[C@H](C)C2)O1 ZINC000376546757 565441790 /nfs/dbraw/zinc/44/17/90/565441790.db2.gz QOTKHTBQIZQWPP-HBUWYVDXSA-N 0 0 379.298 3.479 10 30 GGEERN C[C@@H]1C[C@]2(CCO1)CN(Cc1ccc(Br)cc1C#N)C[C@H](C)O2 ZINC000376546759 565441932 /nfs/dbraw/zinc/44/19/32/565441932.db2.gz QOTKHTBQIZQWPP-QWQRMKEZSA-N 0 0 379.298 3.479 10 30 GGEERN N#C[C@H](NC(=O)CC1CCC2(CC1)OCCO2)c1ccc(Br)cc1 ZINC000276293659 565443919 /nfs/dbraw/zinc/44/39/19/565443919.db2.gz INNKKIZWFMPQFB-INIZCTEOSA-N 0 0 393.281 3.453 10 30 GGEERN C=CCNC(=O)c1ccc(NC(=O)c2n[nH]c3ccc(Br)cc32)cc1 ZINC000171965810 565460752 /nfs/dbraw/zinc/46/07/52/565460752.db2.gz XGYBKVGHZJDYEG-UHFFFAOYSA-N 0 0 399.248 3.494 10 30 GGEERN CC(C)c1cnc(S(=O)(=O)Cc2cc(C#N)ccc2Br)n1C ZINC000276956837 565468839 /nfs/dbraw/zinc/46/88/39/565468839.db2.gz VBRLCPPUAASOQU-UHFFFAOYSA-N 0 0 382.283 3.152 10 30 GGEERN N#CCOc1ccc(CC(=O)N2CCc3cccc(Br)c3C2)cc1 ZINC000172353510 565480821 /nfs/dbraw/zinc/48/08/21/565480821.db2.gz IITADCJCAPBRTF-UHFFFAOYSA-N 0 0 385.261 3.479 10 30 GGEERN N#Cc1cc(S(N)(=O)=O)ccc1NCC1(c2ccc(Cl)cc2)CCC1 ZINC000301402532 565484198 /nfs/dbraw/zinc/48/41/98/565484198.db2.gz JOONBTIVXRBYTH-UHFFFAOYSA-N 0 0 375.881 3.393 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCc3cccc(Br)c3C2)cc1 ZINC000172416521 565484714 /nfs/dbraw/zinc/48/47/14/565484714.db2.gz AIKVTSQUIBNVIL-UHFFFAOYSA-N 0 0 377.263 3.068 10 30 GGEERN O[C@@H]1C[C@H](c2cc(F)ccc2F)N(CCOCC(F)(F)C(F)(F)F)C1 ZINC000189743079 565486170 /nfs/dbraw/zinc/48/61/70/565486170.db2.gz VWZBLZJLPZKVEV-ZWNOBZJWSA-N 0 0 375.284 3.287 10 30 GGEERN CCN(CC)S(=O)(=O)c1ccc(Sc2ccc(Cl)c(C#N)n2)nc1 ZINC000301497851 565491330 /nfs/dbraw/zinc/49/13/30/565491330.db2.gz BXECYHROAYYAMB-UHFFFAOYSA-N 0 0 382.898 3.183 10 30 GGEERN COc1cc(OC)cc(C2(O)CCN(c3snc(Cl)c3C#N)CC2)c1 ZINC000301668196 565503304 /nfs/dbraw/zinc/50/33/04/565503304.db2.gz XTWQWJNQYMQTBZ-UHFFFAOYSA-N 0 0 379.869 3.173 10 30 GGEERN N#CCCn1ccc(=NC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)[nH]1 ZINC000377914109 565505240 /nfs/dbraw/zinc/50/52/40/565505240.db2.gz PFCKRZXKDLFLDN-OAHLLOKOSA-N 0 0 388.269 3.350 10 30 GGEERN N#Cc1cc(NCCNS(=O)(=O)c2ccc(Cl)s2)c2ccccc2n1 ZINC000301763086 565509583 /nfs/dbraw/zinc/50/95/83/565509583.db2.gz ADVISEMZRIOCOC-UHFFFAOYSA-N 0 0 392.893 3.212 10 30 GGEERN COc1ccc(Br)cc1CC(=O)N(CCC#N)Cc1cccnc1 ZINC000173065259 565524762 /nfs/dbraw/zinc/52/47/62/565524762.db2.gz CJCAQORJQJHANG-UHFFFAOYSA-N 0 0 388.265 3.338 10 30 GGEERN CC(=O)c1ccc(C#N)cc1NC[C@@H](O)COc1ccccc1Br ZINC000302082802 565529473 /nfs/dbraw/zinc/52/94/73/565529473.db2.gz CWDWQPOXTQBKKW-CQSZACIVSA-N 0 0 389.249 3.375 10 30 GGEERN Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1ccc(C#N)cc1Br ZINC000378487956 565530160 /nfs/dbraw/zinc/53/01/60/565530160.db2.gz LRZQEUVVGKSZBJ-QGZVFWFLSA-N 0 0 389.297 3.245 10 30 GGEERN N#Cc1cc(Br)ccc1NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000302192518 565536001 /nfs/dbraw/zinc/53/60/01/565536001.db2.gz RKAYQBPZPYJJEN-ZDUSSCGKSA-N 0 0 376.229 3.216 10 30 GGEERN C=CCCCN(C)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000173202953 565536382 /nfs/dbraw/zinc/53/63/82/565536382.db2.gz YGPTYYFRDCMHDN-UHFFFAOYSA-N 0 0 377.260 3.252 10 30 GGEERN Cc1ncc(S(=O)(=O)Nc2ccc(Cl)cc2Br)cc1C#N ZINC000386788522 565547624 /nfs/dbraw/zinc/54/76/24/565547624.db2.gz LOIGJLQKPBDFAE-UHFFFAOYSA-N 0 0 386.658 3.478 10 30 GGEERN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302684731 565549653 /nfs/dbraw/zinc/54/96/53/565549653.db2.gz ATRFAMJBCUSAAU-UHFFFAOYSA-N 0 0 380.191 3.243 10 30 GGEERN C=CCNC(=O)CN[C@@H](C)c1ccc(Br)cc1Br ZINC000393829083 565569383 /nfs/dbraw/zinc/56/93/83/565569383.db2.gz JUCNAYUFIQQDRJ-VIFPVBQESA-N 0 0 376.092 3.164 10 30 GGEERN N#CCC1CCN(S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000397280657 565575531 /nfs/dbraw/zinc/57/55/31/565575531.db2.gz HPNALPUNOGIXMP-UHFFFAOYSA-N 0 0 377.691 3.417 10 30 GGEERN N#CC[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000397763827 565577115 /nfs/dbraw/zinc/57/71/15/565577115.db2.gz FPEZWKVVXHCRSM-JTQLQIEISA-N 0 0 377.691 3.417 10 30 GGEERN COc1ccc(Br)cc1S(=O)(=O)Cc1ccc(C#N)c(F)c1 ZINC000191048656 565579261 /nfs/dbraw/zinc/57/92/61/565579261.db2.gz VEKBXWXIXGCMGJ-UHFFFAOYSA-N 0 0 384.226 3.442 10 30 GGEERN N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cc(Cl)sc3Cl)C2=O)cc1 ZINC000191074601 565580622 /nfs/dbraw/zinc/58/06/22/565580622.db2.gz MKZKBXXVHJLVAQ-CYBMUJFWSA-N 0 0 394.283 3.457 10 30 GGEERN CCO[C@@H](C)c1nc(CN(C)S(=O)(=O)Cc2cccc(C#N)c2)cs1 ZINC000173746452 565581659 /nfs/dbraw/zinc/58/16/59/565581659.db2.gz PXELVRIHTYXUDA-ZDUSSCGKSA-N 0 0 379.507 3.074 10 30 GGEERN CCO[C@H](C)c1nc(CN(C)S(=O)(=O)Cc2cccc(C#N)c2)cs1 ZINC000173746466 565581964 /nfs/dbraw/zinc/58/19/64/565581964.db2.gz PXELVRIHTYXUDA-CYBMUJFWSA-N 0 0 379.507 3.074 10 30 GGEERN N#Cc1ccc(Br)c(CN2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000408046502 565591681 /nfs/dbraw/zinc/59/16/81/565591681.db2.gz WXAAAMLKGBSOEG-KBAYOESNSA-N 0 0 379.298 3.073 10 30 GGEERN N#Cc1ccc(CN2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)c(Br)c1 ZINC000408041652 565592243 /nfs/dbraw/zinc/59/22/43/565592243.db2.gz DIHUPWZFXZNMBT-CGTJXYLNSA-N 0 0 379.298 3.073 10 30 GGEERN N#Cc1ccc(CN2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)c(Br)c1 ZINC000408041663 565592402 /nfs/dbraw/zinc/59/24/02/565592402.db2.gz DIHUPWZFXZNMBT-JQHSSLGASA-N 0 0 379.298 3.073 10 30 GGEERN COc1ccc(Br)cc1CC(=O)NCCOc1ccc(C#N)cc1 ZINC000173897855 565597123 /nfs/dbraw/zinc/59/71/23/565597123.db2.gz ADISVVJSLOQKQH-UHFFFAOYSA-N 0 0 389.249 3.067 10 30 GGEERN Cc1ncc(S(=O)(=O)Nc2cc(Br)c(F)cc2F)cc1C#N ZINC000320339236 565601872 /nfs/dbraw/zinc/60/18/72/565601872.db2.gz JFYCOYRJQYOACM-UHFFFAOYSA-N 0 0 388.193 3.103 10 30 GGEERN N#C[C@H]1CCC[C@H]1NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000408282817 565601895 /nfs/dbraw/zinc/60/18/95/565601895.db2.gz BGRUPELWCZRSAL-RDDDGLTNSA-N 0 0 381.654 3.212 10 30 GGEERN C=CCCCNC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 ZINC000279253196 565603599 /nfs/dbraw/zinc/60/35/99/565603599.db2.gz SCPXHJLQQUYYMH-UHFFFAOYSA-N 0 0 398.282 3.376 10 30 GGEERN COc1cc(Br)ccc1[C@H](C)NC(=O)Nc1ccn(CCC#N)n1 ZINC000191429559 565603800 /nfs/dbraw/zinc/60/38/00/565603800.db2.gz VMABIOONFXTAOU-NSHDSACASA-N 0 0 392.257 3.451 10 30 GGEERN CC1(C)CCCN(C(=O)c2cnc3ccc(Br)cc3c2O)[C@@H]1C#N ZINC000408440505 565609950 /nfs/dbraw/zinc/60/99/50/565609950.db2.gz CNDDPDKALYRMNV-OAHLLOKOSA-N 0 0 388.265 3.445 10 30 GGEERN N#Cc1cccc(C(=O)N[C@H]2CCO[C@]3(CCSC3)C2)c1Br ZINC000408451463 565611082 /nfs/dbraw/zinc/61/10/82/565611082.db2.gz JGTPEWPRLQFWEP-BLLLJJGKSA-N 0 0 381.295 3.105 10 30 GGEERN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@H](c2ccccc2)CO1 ZINC000174095495 565612205 /nfs/dbraw/zinc/61/22/05/565612205.db2.gz JKWAMKZNGZDMDA-ACJLOTCBSA-N 0 0 376.865 3.362 10 30 GGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000191585979 565615820 /nfs/dbraw/zinc/61/58/20/565615820.db2.gz KEOJQKLSWZSZMU-SECBINFHSA-N 0 0 383.164 3.406 10 30 GGEERN C[C@H](C(=O)N[C@@H](C#N)c1ccc(Br)cc1)N(C)CC(F)(F)F ZINC000279536569 565617845 /nfs/dbraw/zinc/61/78/45/565617845.db2.gz AEJJYKNOCATSBH-SKDRFNHKSA-N 0 0 378.192 3.013 10 30 GGEERN COC(=O)CCN(Cc1ccc(C#N)o1)Cc1cccc(Br)c1 ZINC000191630739 565618231 /nfs/dbraw/zinc/61/82/31/565618231.db2.gz VXOQPDGIOIYZKP-UHFFFAOYSA-N 0 0 377.238 3.479 10 30 GGEERN CCN(CCC#N)S(=O)(=O)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000409522913 565622524 /nfs/dbraw/zinc/62/25/24/565622524.db2.gz ZRZWWKRIWFNBIF-LLVKDONJSA-N 0 0 392.344 3.128 10 30 GGEERN CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000409570681 565624409 /nfs/dbraw/zinc/62/44/09/565624409.db2.gz QHCRNZDINBUYPK-KBPBESRZSA-N 0 0 387.908 3.212 10 30 GGEERN CCN(CCC#N)S(=O)(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000409593001 565626830 /nfs/dbraw/zinc/62/68/30/565626830.db2.gz AZILNNQEICBJCO-HNNXBMFYSA-N 0 0 386.315 3.066 10 30 GGEERN N#Cc1nc(NCCCCn2cc(Br)cn2)ccc1C(F)(F)F ZINC000409665006 565631796 /nfs/dbraw/zinc/63/17/96/565631796.db2.gz ZKXWYLIYZBUORO-UHFFFAOYSA-N 0 0 388.191 3.245 10 30 GGEERN C[C@@H](C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1)n1cnc(C#N)n1 ZINC000409720721 565636360 /nfs/dbraw/zinc/63/63/60/565636360.db2.gz OLBLQQKLRHUAOE-ZBEGNZNMSA-N 0 0 388.269 3.131 10 30 GGEERN C[C@@H](C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1)n1cnc(C#N)n1 ZINC000409720720 565636874 /nfs/dbraw/zinc/63/68/74/565636874.db2.gz OLBLQQKLRHUAOE-MEDUHNTESA-N 0 0 388.269 3.131 10 30 GGEERN C[C@H](C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1)n1cnc(C#N)n1 ZINC000409720718 565637001 /nfs/dbraw/zinc/63/70/01/565637001.db2.gz OLBLQQKLRHUAOE-BDJLRTHQSA-N 0 0 388.269 3.131 10 30 GGEERN CCO[C@@H]1C[C@@](NCc2cc(C#N)ccc2Br)(C(=O)OC)C1(C)C ZINC000191874702 565638953 /nfs/dbraw/zinc/63/89/53/565638953.db2.gz CVTAORKFRQQEMY-CRAIPNDOSA-N 0 0 395.297 3.157 10 30 GGEERN CN1C(=O)C[C@H](NC(=O)NC2CCSCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328858147 565644193 /nfs/dbraw/zinc/64/41/93/565644193.db2.gz USEZWSYGDCZBNT-HOCLYGCPSA-N 0 0 385.892 3.150 10 30 GGEERN C[C@@H](C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1)n1cnc(C#N)n1 ZINC000409850295 565644809 /nfs/dbraw/zinc/64/48/09/565644809.db2.gz YHIWEUZZMCVETF-LBPRGKRZSA-N 0 0 375.885 3.147 10 30 GGEERN Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2Br)c1C#N ZINC000174576239 565644881 /nfs/dbraw/zinc/64/48/81/565644881.db2.gz BYQIFOSHNVJHIN-LBPRGKRZSA-N 0 0 386.249 3.445 10 30 GGEERN COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000409875663 565645948 /nfs/dbraw/zinc/64/59/48/565645948.db2.gz NUIYWNRVBUKPAR-NSHDSACASA-N 0 0 380.853 3.268 10 30 GGEERN O=S(=O)(c1ccc(Cl)s1)N1CCCN(CC#Cc2ccccc2)CC1 ZINC000191976839 565647747 /nfs/dbraw/zinc/64/77/47/565647747.db2.gz TVWXEUMIWVMGCO-UHFFFAOYSA-N 0 0 394.949 3.150 10 30 GGEERN C[C@H](C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1)n1cnc(C#N)n1 ZINC000409910897 565648952 /nfs/dbraw/zinc/64/89/52/565648952.db2.gz VEUOHYXDHQLEAC-LLVKDONJSA-N 0 0 376.247 3.333 10 30 GGEERN C[C@H](C(=O)NCC1(c2ccc(Cl)cc2Cl)CCC1)n1cnc(C#N)n1 ZINC000409909125 565649080 /nfs/dbraw/zinc/64/90/80/565649080.db2.gz IEQJXOZCWYIPNF-LLVKDONJSA-N 0 0 378.263 3.256 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(F)F)cc1Br ZINC000409933645 565649947 /nfs/dbraw/zinc/64/99/47/565649947.db2.gz PDBSGRHPFVDACF-GFCCVEGCSA-N 0 0 379.226 3.129 10 30 GGEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H](C)c2ncc(Br)cn2)cn1 ZINC000329116513 565654699 /nfs/dbraw/zinc/65/46/99/565654699.db2.gz NKUJDMQIAYCOTR-LEWSCRJBSA-N 0 0 394.273 3.251 10 30 GGEERN C[C@@H](C(=O)NCC1(c2c(Cl)cccc2Cl)CCC1)n1cnc(C#N)n1 ZINC000410005723 565657453 /nfs/dbraw/zinc/65/74/53/565657453.db2.gz UDQWQUAWGAWICX-NSHDSACASA-N 0 0 378.263 3.256 10 30 GGEERN Cc1cc([C@@H]2CCCN2C(=O)[C@@H](C)n2cnc(C#N)n2)ccc1Br ZINC000410018385 565658399 /nfs/dbraw/zinc/65/83/99/565658399.db2.gz WQGQPJNFGWEHFP-DOMZBBRYSA-N 0 0 388.269 3.145 10 30 GGEERN CCN1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000329179111 565658542 /nfs/dbraw/zinc/65/85/42/565658542.db2.gz NTMKCDZBSXEDPE-KCXAZCMYSA-N 0 0 388.892 3.006 10 30 GGEERN Cc1cc(CNC(=O)c2sccc2C#N)ccc1I ZINC000410027603 565659353 /nfs/dbraw/zinc/65/93/53/565659353.db2.gz DEWGWWABIHWYAZ-UHFFFAOYSA-N 0 0 382.226 3.463 10 30 GGEERN C[C@H](NC(=O)N1CCO[C@@]2(CCCOC2)C1)c1cccc(Br)c1 ZINC000329212725 565659829 /nfs/dbraw/zinc/65/98/29/565659829.db2.gz IFDBRXOODGUWEJ-GUYCJALGSA-N 0 0 383.286 3.306 10 30 GGEERN O=C(N[C@H]1CCOc2ccc(Br)cc21)N1CC2(C1)CCCOC2 ZINC000329245140 565660324 /nfs/dbraw/zinc/66/03/24/565660324.db2.gz QJHPLKNDTKSFDW-AWEZNQCLSA-N 0 0 381.270 3.299 10 30 GGEERN C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O)c1ccccc1Br ZINC000329249302 565660435 /nfs/dbraw/zinc/66/04/35/565660435.db2.gz XBASQNREKCQOKF-GUDXXQAFSA-N 0 0 397.313 3.286 10 30 GGEERN C[C@H](NC(=O)N1CCOC[C@@H]1[C@H]1CCCO1)c1cccc(Br)c1 ZINC000329296274 565661819 /nfs/dbraw/zinc/66/18/19/565661819.db2.gz STOYYVZBOMGRKK-APHBMKBZSA-N 0 0 383.286 3.304 10 30 GGEERN C=CC[C@@H](CO)NC(=O)c1cccnc1Oc1ccc(F)cc1Br ZINC000410068011 565661916 /nfs/dbraw/zinc/66/19/16/565661916.db2.gz YWWRPSOHRZEYJO-LBPRGKRZSA-N 0 0 395.228 3.442 10 30 GGEERN C=CC[C@@H](CC)NC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000410125304 565664934 /nfs/dbraw/zinc/66/49/34/565664934.db2.gz NQSRBUIPJCFVMV-CYBMUJFWSA-N 0 0 381.270 3.036 10 30 GGEERN C=CCN1CC[C@@H](N(C)C(=O)C[C@@H](C)c2ccc(Br)cc2)C1=O ZINC000410112536 565665377 /nfs/dbraw/zinc/66/53/77/565665377.db2.gz FHPBKRDIQAFZJO-CZUORRHYSA-N 0 0 379.298 3.188 10 30 GGEERN COCCN(CCC#N)S(=O)(=O)N(C)[C@H](c1ccccc1Cl)C(C)C ZINC000410149297 565667273 /nfs/dbraw/zinc/66/72/73/565667273.db2.gz VTJVPZNBCXRYOS-KRWDZBQOSA-N 0 0 387.933 3.076 10 30 GGEERN Cc1c(Br)c2ccccc2n1CC(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000329509543 565668153 /nfs/dbraw/zinc/66/81/53/565668153.db2.gz MJAYKGZTXMMXBB-LBPRGKRZSA-N 0 0 399.310 3.246 10 30 GGEERN CC1(C)[C@H](NC(=O)CCn2cc(Br)ccc2=O)[C@@H]2CCCO[C@@H]21 ZINC000329647197 565674153 /nfs/dbraw/zinc/67/41/53/565674153.db2.gz DUCWIWXPJNHCAR-MAZHCROVSA-N 0 0 383.286 3.161 10 30 GGEERN Cc1cccc2oc(CCNS(=O)(=O)c3ccc(Cl)c(C#N)c3)nc21 ZINC000410321244 565676443 /nfs/dbraw/zinc/67/64/43/565676443.db2.gz AIEFXSBSXBRJRB-UHFFFAOYSA-N 0 0 375.837 3.182 10 30 GGEERN C=CCN1CC[C@@H](N2CCC[C@H]2c2ccccc2I)C1=O ZINC000410370550 565679015 /nfs/dbraw/zinc/67/90/15/565679015.db2.gz HRXLXMDVXBLOSS-JKSUJKDBSA-N 0 0 396.272 3.215 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@@H]2CCOc3ccc(Br)cc32)CCCC1 ZINC000329789040 565680653 /nfs/dbraw/zinc/68/06/53/565680653.db2.gz SEXYQKULTJNMFM-CQSZACIVSA-N 0 0 399.310 3.276 10 30 GGEERN CCN(C[C@@H](C)C#N)S(=O)(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000410402393 565682974 /nfs/dbraw/zinc/68/29/74/565682974.db2.gz RZXVGKMHGAVTCZ-AWEZNQCLSA-N 0 0 377.432 3.167 10 30 GGEERN CCN(C[C@H](C)C#N)S(=O)(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000410402394 565683042 /nfs/dbraw/zinc/68/30/42/565683042.db2.gz RZXVGKMHGAVTCZ-CQSZACIVSA-N 0 0 377.432 3.167 10 30 GGEERN N#Cc1ccc(OC2CCN(C(=O)c3ncccc3Br)CC2)cc1 ZINC000280635180 565685837 /nfs/dbraw/zinc/68/58/37/565685837.db2.gz XUZPELCATMBTEU-UHFFFAOYSA-N 0 0 386.249 3.399 10 30 GGEERN O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)[C@@H]1SCCc2sccc21 ZINC000329991612 565688563 /nfs/dbraw/zinc/68/85/63/565688563.db2.gz XDEXNVAVHUJRQG-MQIPJXDCSA-N 0 0 378.498 3.442 10 30 GGEERN CCOC(=O)c1sc([C@H](C)NC(=O)c2ncc(C#N)cc2Cl)nc1C ZINC000410561900 565688972 /nfs/dbraw/zinc/68/89/72/565688972.db2.gz IIHBAVBPKPGDIW-VIFPVBQESA-N 0 0 378.841 3.039 10 30 GGEERN CN1CC[C@H](NC(=O)[C@@H]2CCCCS2(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000330061217 565690787 /nfs/dbraw/zinc/69/07/87/565690787.db2.gz NXZOHODJOTUZLX-JYJNAYRXSA-N 0 0 388.892 3.148 10 30 GGEERN COCCOc1ccc(C#N)cc1NC(=O)c1ncc(Br)s1 ZINC000192445255 565691867 /nfs/dbraw/zinc/69/18/67/565691867.db2.gz GLYCBCLUVISBEM-UHFFFAOYSA-N 0 0 382.239 3.055 10 30 GGEERN O=C(N[C@@H]1CCOc2ccc(Br)cc21)N1CCO[C@@H](C2CC2)C1 ZINC000330173337 565695985 /nfs/dbraw/zinc/69/59/85/565695985.db2.gz HFPIHNMYCJRYAC-GDBMZVCRSA-N 0 0 381.270 3.298 10 30 GGEERN O=C(N[C@@H]1CCOc2ccc(Br)cc21)N1CCO[C@H](C2CC2)C1 ZINC000330173339 565696276 /nfs/dbraw/zinc/69/62/76/565696276.db2.gz HFPIHNMYCJRYAC-ZBFHGGJFSA-N 0 0 381.270 3.298 10 30 GGEERN COc1ccc(CSCC(=O)Nc2snc(C)c2C#N)cc1[N+](=O)[O-] ZINC000410808574 565696333 /nfs/dbraw/zinc/69/63/33/565696333.db2.gz KPJUABJGFZZCRV-UHFFFAOYSA-N 0 0 378.435 3.112 10 30 GGEERN C[C@H](C(=O)N1CCC(C)(C)c2ccc(Br)cc21)n1cnc(C#N)n1 ZINC000410827565 565696707 /nfs/dbraw/zinc/69/67/07/565696707.db2.gz URZOMTTYJIKDHM-LLVKDONJSA-N 0 0 388.269 3.188 10 30 GGEERN Cc1nsc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)c1C#N ZINC000410816546 565696979 /nfs/dbraw/zinc/69/69/79/565696979.db2.gz YGCFWDIKVBSDPA-UHFFFAOYSA-N 0 0 383.882 3.168 10 30 GGEERN COc1cc(OC)c(NC(=O)N2CCO[C@@H](C3CC3)C2)cc1Br ZINC000330251708 565698666 /nfs/dbraw/zinc/69/86/66/565698666.db2.gz NRDYPURJXBFSLS-OAHLLOKOSA-N 0 0 385.258 3.123 10 30 GGEERN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000175425641 565699253 /nfs/dbraw/zinc/69/92/53/565699253.db2.gz PZKKIBNHLOQUHL-FNODVLLQSA-N 0 0 396.921 3.331 10 30 GGEERN CC(C)(C)n1cc(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)cn1 ZINC000410977896 565702551 /nfs/dbraw/zinc/70/25/51/565702551.db2.gz KZLVIWJJHCROMW-UHFFFAOYSA-N 0 0 375.226 3.094 10 30 GGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cn(C)nc1C(C)C ZINC000280942044 565704601 /nfs/dbraw/zinc/70/46/01/565704601.db2.gz FQDVDYMZUDWVQW-UHFFFAOYSA-N 0 0 380.901 3.412 10 30 GGEERN N#Cc1cc(C(=O)NC2(c3ccc(Br)cc3)CCOCC2)ccn1 ZINC000192844128 565714532 /nfs/dbraw/zinc/71/45/32/565714532.db2.gz LMUBCNKUFQPDGO-UHFFFAOYSA-N 0 0 386.249 3.151 10 30 GGEERN C[C@@H]1CCN(C(=O)NCCc2cc(Cl)ccc2Br)C[C@H]1O ZINC000330651557 565717209 /nfs/dbraw/zinc/71/72/09/565717209.db2.gz KBHXGGSLBRLBDU-QMTHXVAHSA-N 0 0 375.694 3.262 10 30 GGEERN O=C(NCc1cc(F)cc(Br)c1)N1CCC(O)(C(F)(F)F)CC1 ZINC000330692617 565719309 /nfs/dbraw/zinc/71/93/09/565719309.db2.gz AXODAZICUNOOKX-UHFFFAOYSA-N 0 0 399.182 3.391 10 30 GGEERN CC(C)(C)[C@@H]1CCN(C(=O)CNC(=O)c2cccc(Br)c2)C[C@H]1O ZINC000330745085 565721434 /nfs/dbraw/zinc/72/14/34/565721434.db2.gz RHHMASNRQGZOSS-HUUCEWRRSA-N 0 0 397.313 3.009 10 30 GGEERN COc1cc(Br)ccc1CCCNC(=O)N1CC[C@H](C)[C@H](O)C1 ZINC000330797492 565724366 /nfs/dbraw/zinc/72/43/66/565724366.db2.gz FIBFBPIVJHWGNS-SWLSCSKDSA-N 0 0 385.302 3.007 10 30 GGEERN CC(C)Sc1c(Cl)cccc1NC(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000330889734 565727039 /nfs/dbraw/zinc/72/70/39/565727039.db2.gz OMOKPUONHAZJBM-LLVKDONJSA-N 0 0 391.946 3.139 10 30 GGEERN CC(C)(C(=O)NCC1CCN(CC#N)CC1)c1cccc(Br)c1 ZINC000330886737 565727075 /nfs/dbraw/zinc/72/70/75/565727075.db2.gz FADIDHGVZCEHAK-UHFFFAOYSA-N 0 0 378.314 3.078 10 30 GGEERN CC(C)(NS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccc([N+](=O)[O-])cc1 ZINC000175891737 565732323 /nfs/dbraw/zinc/73/23/23/565732323.db2.gz WPZUIDJELDZSDK-UHFFFAOYSA-N 0 0 379.825 3.333 10 30 GGEERN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NC[C@@H]1CCSC1 ZINC000330992660 565733296 /nfs/dbraw/zinc/73/32/96/565733296.db2.gz SRAXWTQUKZZWCG-JTQLQIEISA-N 0 0 392.340 3.219 10 30 GGEERN O=C(Nc1cc(Cl)c(Cl)cn1)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000330995907 565734347 /nfs/dbraw/zinc/73/43/47/565734347.db2.gz WWEYJBUYIIQPHO-SECBINFHSA-N 0 0 385.173 3.268 10 30 GGEERN O=C(Nc1cc(Cl)c(Cl)cn1)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000330995917 565734545 /nfs/dbraw/zinc/73/45/45/565734545.db2.gz WWEYJBUYIIQPHO-VIFPVBQESA-N 0 0 385.173 3.268 10 30 GGEERN CC(C)(C)[C@@H]1CCN(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C[C@H]1O ZINC000331004117 565734692 /nfs/dbraw/zinc/73/46/92/565734692.db2.gz YJEMYUYYLYKXTH-TZMCWYRMSA-N 0 0 388.917 3.018 10 30 GGEERN COc1ccc(NC(=O)N2CC[C@](O)(C(F)(F)F)C2)c(Br)c1 ZINC000331043786 565736501 /nfs/dbraw/zinc/73/65/01/565736501.db2.gz GDSZSXABFABOEC-GFCCVEGCSA-N 0 0 383.164 3.002 10 30 GGEERN N#CCCN(C(=O)CCC(=O)N1CCC=C(Br)C1)c1ccccc1 ZINC000281565862 565736691 /nfs/dbraw/zinc/73/66/91/565736691.db2.gz ADEZZWXWANVQOP-UHFFFAOYSA-N 0 0 390.281 3.225 10 30 GGEERN C=CC[C@H](CO)NC(=O)c1c(CC)onc1-c1ccc(Br)cc1 ZINC000281551821 565736984 /nfs/dbraw/zinc/73/69/84/565736984.db2.gz KIOIIPKCBJNCMV-CYBMUJFWSA-N 0 0 379.254 3.333 10 30 GGEERN CC1(C)CN(C(=O)NCc2ccc(S(C)(=O)=O)s2)CC[C@H]1C(F)(F)F ZINC000331091875 565738022 /nfs/dbraw/zinc/73/80/22/565738022.db2.gz XCFUZJYANLHVSM-LLVKDONJSA-N 0 0 398.472 3.476 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1NCC1(CO)CCOCC1 ZINC000281583898 565738088 /nfs/dbraw/zinc/73/80/88/565738088.db2.gz GEBMERYPNWYESM-UHFFFAOYSA-N 0 0 376.254 3.070 10 30 GGEERN C[C@@H]1OCC[C@]12CN(c1c(C#N)cnc3c(Br)cccc31)CCO2 ZINC000281594696 565738639 /nfs/dbraw/zinc/73/86/39/565738639.db2.gz HKSDLIGQONAOOG-SGTLLEGYSA-N 0 0 388.265 3.253 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1NC[C@H](O)C1CCOCC1 ZINC000281598349 565738821 /nfs/dbraw/zinc/73/88/21/565738821.db2.gz HTWZPUXWZVJZJN-HNNXBMFYSA-N 0 0 376.254 3.068 10 30 GGEERN C[C@@H]1OCC[C@@]12CN(c1c(C#N)cnc3c(Br)cccc31)CCO2 ZINC000281594687 565738990 /nfs/dbraw/zinc/73/89/90/565738990.db2.gz HKSDLIGQONAOOG-KPZWWZAWSA-N 0 0 388.265 3.253 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1N1CCC(Cn2cncn2)CC1 ZINC000281591523 565739260 /nfs/dbraw/zinc/73/92/60/565739260.db2.gz HBQUIIGPTVNNLZ-UHFFFAOYSA-N 0 0 397.280 3.377 10 30 GGEERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Br)cc1F ZINC000331138254 565740754 /nfs/dbraw/zinc/74/07/54/565740754.db2.gz JJFYWFXMHJPHSX-CQSZACIVSA-N 0 0 386.265 3.467 10 30 GGEERN COC(=O)c1cccc(NC(=O)N2CC[C@H](C)[C@H](OC)C2)c1Br ZINC000331166307 565743047 /nfs/dbraw/zinc/74/30/47/565743047.db2.gz SZLQVVVPAWLXGF-GXFFZTMASA-N 0 0 385.258 3.138 10 30 GGEERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(OC)c(Br)c1 ZINC000331204527 565745328 /nfs/dbraw/zinc/74/53/28/565745328.db2.gz YNAYCCQOFDELTH-CQSZACIVSA-N 0 0 398.301 3.336 10 30 GGEERN CC(=O)NC[C@@H]1CCCN(c2c(C#N)cnc3c(Br)cccc32)C1 ZINC000281750708 565745598 /nfs/dbraw/zinc/74/55/98/565745598.db2.gz XUVGIFOISLVIIJ-ZDUSSCGKSA-N 0 0 387.281 3.221 10 30 GGEERN N#Cc1ccc(NC(=O)C(=O)NC2(C3CCC3)CCC2)cc1Br ZINC000411700380 565747381 /nfs/dbraw/zinc/74/73/81/565747381.db2.gz YEIPPXQOPUROTG-UHFFFAOYSA-N 0 0 376.254 3.098 10 30 GGEERN CCN(C1CCN(C(=O)Nc2c(Cl)ccc(C)c2C)CC1)S(C)(=O)=O ZINC000331245006 565748956 /nfs/dbraw/zinc/74/89/56/565748956.db2.gz PAOHHRZPLRYZKX-UHFFFAOYSA-N 0 0 387.933 3.248 10 30 GGEERN CCCS(=O)(=O)N1CCC(NC(=O)Nc2c(Cl)ccc(C)c2C)CC1 ZINC000331252392 565749882 /nfs/dbraw/zinc/74/98/82/565749882.db2.gz UNEWOKZXXYFNJQ-UHFFFAOYSA-N 0 0 387.933 3.487 10 30 GGEERN CCS(=O)(=O)C1CCN(C(=O)Nc2c(F)cc(Cl)c(C)c2F)CC1 ZINC000331283095 565751327 /nfs/dbraw/zinc/75/13/27/565751327.db2.gz DSFKPFKPCLTKSA-UHFFFAOYSA-N 0 0 380.844 3.371 10 30 GGEERN CN(CC1(O)CCOCC1)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000331280318 565752120 /nfs/dbraw/zinc/75/21/20/565752120.db2.gz BQCCFYUZRSOIPB-CYBMUJFWSA-N 0 0 380.794 3.331 10 30 GGEERN CN1CC[C@@H](NS(=O)(=O)CC(C)(C)CC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000331339865 565755092 /nfs/dbraw/zinc/75/50/92/565755092.db2.gz RXYCLFLISWJTMJ-HZPDHXFCSA-N 0 0 387.908 3.084 10 30 GGEERN N#Cc1cc(C(=O)Nc2cc(I)ccc2Cl)ccn1 ZINC000193511818 565757488 /nfs/dbraw/zinc/75/74/88/565757488.db2.gz HCDIBGZDPXRROZ-UHFFFAOYSA-N 0 0 383.576 3.464 10 30 GGEERN COc1cc(C#N)cc(Cl)c1OCC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000193568927 565761798 /nfs/dbraw/zinc/76/17/98/565761798.db2.gz NBLGVGWMQFCBJK-LLVKDONJSA-N 0 0 376.762 3.400 10 30 GGEERN C=CCn1c([C@@H]2COCCO2)nnc1N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000282127809 565765669 /nfs/dbraw/zinc/76/56/69/565765669.db2.gz AJIIOHRFPGAMDQ-HNNXBMFYSA-N 0 0 383.279 3.495 10 30 GGEERN C=CCn1c([C@H]2COCCO2)nnc1N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000282127813 565766016 /nfs/dbraw/zinc/76/60/16/565766016.db2.gz AJIIOHRFPGAMDQ-OAHLLOKOSA-N 0 0 383.279 3.495 10 30 GGEERN C=CCn1c([C@@H]2COCCO2)nnc1N(C)Cc1cccc(Cl)c1Cl ZINC000282144042 565766038 /nfs/dbraw/zinc/76/60/38/565766038.db2.gz BRZSYYKHODQPNB-AWEZNQCLSA-N 0 0 383.279 3.495 10 30 GGEERN Cc1cc(Br)cc(C)c1NC(=O)C(=O)NCC1CCC(C#N)CC1 ZINC000282126442 565766208 /nfs/dbraw/zinc/76/62/08/565766208.db2.gz UOHSUZZCMSQSGE-UHFFFAOYSA-N 0 0 392.297 3.451 10 30 GGEERN COc1cc(S(=O)(=O)NCC2CCC(C#N)CC2)ccc1Br ZINC000282376689 565777168 /nfs/dbraw/zinc/77/71/68/565777168.db2.gz CHWYBHYUWADZTP-UHFFFAOYSA-N 0 0 387.299 3.066 10 30 GGEERN N#Cc1cc(C(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)ccn1 ZINC000193866991 565780054 /nfs/dbraw/zinc/78/00/54/565780054.db2.gz XVBZVLUMSKKDDY-MRXNPFEDSA-N 0 0 390.212 3.069 10 30 GGEERN C=CCn1c([C@H]2COCCO2)nnc1N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000282649531 565790264 /nfs/dbraw/zinc/79/02/64/565790264.db2.gz QJUCTDWLUMMNTK-OAHLLOKOSA-N 0 0 383.279 3.495 10 30 GGEERN CC1(C#N)CCN(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000282820222 565798542 /nfs/dbraw/zinc/79/85/42/565798542.db2.gz ZWQCKUJYLJSQHI-ZDUSSCGKSA-N 0 0 382.233 3.357 10 30 GGEERN N#Cc1cc(F)ccc1S(=O)(=O)N1CCc2cccc(Br)c2C1 ZINC000176789533 565802850 /nfs/dbraw/zinc/80/28/50/565802850.db2.gz YSHXUUDZTGAKKO-UHFFFAOYSA-N 0 0 395.253 3.207 10 30 GGEERN N#CC1CCC(CNC(=O)NC[C@@H](O)c2cccc(Br)c2)CC1 ZINC000283652984 565824967 /nfs/dbraw/zinc/82/49/67/565824967.db2.gz QUJOCVGZDQCBEJ-SEEARECTSA-N 0 0 380.286 3.112 10 30 GGEERN Cc1csc([C@@H]2CN(CC(=O)Nc3sc(C)c(C)c3C#N)CCO2)n1 ZINC000177090705 565827700 /nfs/dbraw/zinc/82/77/00/565827700.db2.gz MBCHGCBBBOZYML-AWEZNQCLSA-N 0 0 376.507 3.014 10 30 GGEERN C=CCn1c(SCc2nnc(C)n2CC)nc2cc(Cl)ccc2c1=O ZINC000194646497 565828853 /nfs/dbraw/zinc/82/88/53/565828853.db2.gz LKLWOXMUVNPMBY-UHFFFAOYSA-N 0 0 375.885 3.448 10 30 GGEERN N#Cc1cnc(N2CCN(Cc3ccc(Br)cc3)CC2)c(F)c1 ZINC000413214232 565839292 /nfs/dbraw/zinc/83/92/92/565839292.db2.gz ZNSJVUUVILDOFD-UHFFFAOYSA-N 0 0 375.245 3.177 10 30 GGEERN C[C@H]1CN(c2ccc(Br)cc2C#N)CCN1C(=O)c1cscn1 ZINC000413322673 565846689 /nfs/dbraw/zinc/84/66/89/565846689.db2.gz IGTXJJRGMXBHAB-NSHDSACASA-N 0 0 391.294 3.128 10 30 GGEERN CON1CCC(N(C)c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000413371261 565847739 /nfs/dbraw/zinc/84/77/39/565847739.db2.gz WAPITOCEVUMJBH-UHFFFAOYSA-N 0 0 375.270 3.331 10 30 GGEERN CS(=O)(=O)N(Cc1ccc(Br)c(F)c1)c1ccc(C#N)cc1 ZINC000177475301 565853901 /nfs/dbraw/zinc/85/39/01/565853901.db2.gz KMFYWSYHKSTBTL-UHFFFAOYSA-N 0 0 383.242 3.426 10 30 GGEERN Cn1cc(C#N)cc1C(=O)Nc1cc(F)c(F)cc1I ZINC000177509530 565856479 /nfs/dbraw/zinc/85/64/79/565856479.db2.gz HSYLTJBJIDENFX-UHFFFAOYSA-N 0 0 387.127 3.032 10 30 GGEERN CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)c1 ZINC000413588705 565861400 /nfs/dbraw/zinc/86/14/00/565861400.db2.gz OGEXKBVPGMUWKT-WFASDCNBSA-N 0 0 383.901 3.015 10 30 GGEERN CCS(=O)(=O)CCCNc1c(C#N)cnc2c(Br)cccc21 ZINC000413581861 565861736 /nfs/dbraw/zinc/86/17/36/565861736.db2.gz YBQLTTRMEYSYOO-UHFFFAOYSA-N 0 0 382.283 3.106 10 30 GGEERN CCc1nc(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cs1 ZINC000177657301 565865042 /nfs/dbraw/zinc/86/50/42/565865042.db2.gz AJUALIQIWHRHGE-UHFFFAOYSA-N 0 0 375.397 3.074 10 30 GGEERN CCc1cnc(CCNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)s1 ZINC000177666271 565865591 /nfs/dbraw/zinc/86/55/91/565865591.db2.gz WOVWRKGAYAKHGT-UHFFFAOYSA-N 0 0 389.424 3.117 10 30 GGEERN CSC[C@@](C)(C#N)NS(=O)(=O)c1c(Cl)cccc1Br ZINC000284937263 565878884 /nfs/dbraw/zinc/87/88/84/565878884.db2.gz AGFOYPZHTUPBGS-LLVKDONJSA-N 0 0 383.720 3.026 10 30 GGEERN CSC[C@](C)(C#N)NS(=O)(=O)c1c(Cl)cccc1Br ZINC000284937269 565879612 /nfs/dbraw/zinc/87/96/12/565879612.db2.gz AGFOYPZHTUPBGS-NSHDSACASA-N 0 0 383.720 3.026 10 30 GGEERN CN(CCC#N)C[C@H](O)COc1c(Cl)ccc(Cl)c1Br ZINC000414120546 565896536 /nfs/dbraw/zinc/89/65/36/565896536.db2.gz CQOCEPPRMZQTRV-VIFPVBQESA-N 0 0 382.085 3.341 10 30 GGEERN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000178416423 565917523 /nfs/dbraw/zinc/91/75/23/565917523.db2.gz CTZONDVYILTTDB-LBPRGKRZSA-N 0 0 386.249 3.445 10 30 GGEERN Cc1c(C#N)cccc1NC(=O)C(=O)NCc1cc(F)cc(Br)c1 ZINC000178446052 565919475 /nfs/dbraw/zinc/91/94/75/565919475.db2.gz FLPCFPKNJFSKDM-UHFFFAOYSA-N 0 0 390.212 3.023 10 30 GGEERN CS(=O)(=O)c1ccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)s1 ZINC000414380774 565919427 /nfs/dbraw/zinc/91/94/27/565919427.db2.gz JVIIAHKVMDPCMC-UHFFFAOYSA-N 0 0 376.503 3.067 10 30 GGEERN CCOc1cc(C#N)cc(Br)c1OCc1nc(-c2ncc[nH]2)no1 ZINC000349764433 565929469 /nfs/dbraw/zinc/92/94/69/565929469.db2.gz MXHPHWUGZJDWFQ-UHFFFAOYSA-N 0 0 390.197 3.072 10 30 GGEERN O=S(=O)(c1cccc(OC(F)(F)F)c1F)N1CC2CC1(C(F)(F)F)C2 ZINC000414470216 565939342 /nfs/dbraw/zinc/93/93/42/565939342.db2.gz LKHOABSIYYOSIG-UHFFFAOYSA-N 0 0 393.280 3.440 10 30 GGEERN C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@H](CO)[C@H]1C ZINC000414518400 565945530 /nfs/dbraw/zinc/94/55/30/565945530.db2.gz 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/nfs/dbraw/zinc/96/81/23/565968123.db2.gz GNLCVHZNQKOVBR-UHFFFAOYSA-N 0 0 375.841 3.147 10 30 GGEERN C=CCOc1c(Br)cc(CN[C@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000415003061 565969181 /nfs/dbraw/zinc/96/91/81/565969181.db2.gz OIICAVSGCYLHRE-AWEZNQCLSA-N 0 0 391.256 3.109 10 30 GGEERN C=CCOc1c(Br)cc(CN[C@@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000415003065 565969897 /nfs/dbraw/zinc/96/98/97/565969897.db2.gz OIICAVSGCYLHRE-CQSZACIVSA-N 0 0 391.256 3.109 10 30 GGEERN C=CCN(C(=O)Nc1ccc(OC(C)C)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000179517502 565986609 /nfs/dbraw/zinc/98/66/09/565986609.db2.gz RONKHVAFSNYIHN-AWEZNQCLSA-N 0 0 386.901 3.334 10 30 GGEERN Cc1ccccc1N=C1SCCN1C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000245263947 565987351 /nfs/dbraw/zinc/98/73/51/565987351.db2.gz BSTZCPZBKYLTHV-KBXCAEBGSA-N 0 0 375.519 3.012 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Br)cc2)cn1 ZINC000363189970 565995696 /nfs/dbraw/zinc/99/56/96/565995696.db2.gz GANDFJDGNFDFSE-MRXNPFEDSA-N 0 0 392.278 3.242 10 30 GGEERN CCNC(=O)C[C@@H]1CCCCN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287058920 565995628 /nfs/dbraw/zinc/99/56/28/565995628.db2.gz APDMZDWUMFRBLR-AWEZNQCLSA-N 0 0 393.285 3.233 10 30 GGEERN Cc1cc(C#N)nc(N2CCO[C@H](c3ccc(F)c(Br)c3)C2)n1 ZINC000287058439 565995725 /nfs/dbraw/zinc/99/57/25/565995725.db2.gz XHKNQHQGJRCRAC-HNNXBMFYSA-N 0 0 377.217 3.136 10 30 GGEERN N#Cc1ccsc1C(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000179660023 565997298 /nfs/dbraw/zinc/99/72/98/565997298.db2.gz QZKONDYFFFUOGH-UHFFFAOYSA-N 0 0 383.242 3.156 10 30 GGEERN CO[C@H](C)c1noc(CN(C)C(=O)Nc2ccc(C#N)c(Br)c2)n1 ZINC000287239544 566005787 /nfs/dbraw/zinc/00/57/87/566005787.db2.gz OQLFCFRVGGKPND-SECBINFHSA-N 0 0 394.229 3.075 10 30 GGEERN Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000246090511 566016463 /nfs/dbraw/zinc/01/64/63/566016463.db2.gz JSGLWJFUEYPRJR-HZPDHXFCSA-N 0 0 376.503 3.205 10 30 GGEERN N#CCC[C@@H](NC(=O)c1cnn2cc(Br)cnc12)c1ccccc1 ZINC000179940167 566020506 /nfs/dbraw/zinc/02/05/06/566020506.db2.gz 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CC(C)N1CC[C@@H](NS(=O)(=O)CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180100275 566032893 /nfs/dbraw/zinc/03/28/93/566032893.db2.gz JBGFMVUQRRCBKN-SJORKVTESA-N 0 0 387.908 3.226 10 30 GGEERN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1cccc(C#N)c1Br ZINC000416074849 566033023 /nfs/dbraw/zinc/03/30/23/566033023.db2.gz DLLGTRWMEZUOIR-GWCFXTLKSA-N 0 0 396.310 3.207 10 30 GGEERN CCS[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000287739192 566036816 /nfs/dbraw/zinc/03/68/16/566036816.db2.gz UFVPXCJOPWRUQD-APHBMKBZSA-N 0 0 381.523 3.168 10 30 GGEERN CCS[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000287739197 566036907 /nfs/dbraw/zinc/03/69/07/566036907.db2.gz UFVPXCJOPWRUQD-DAXOMENPSA-N 0 0 381.523 3.168 10 30 GGEERN Cc1csc(NC2CCN(S(=O)(=O)c3cccc(Cl)c3C#N)CC2)n1 ZINC000364205435 566038600 /nfs/dbraw/zinc/03/86/00/566038600.db2.gz BAFBGAABKQELHD-UHFFFAOYSA-N 0 0 396.925 3.242 10 30 GGEERN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@@H](c2ccccc2)CO1 ZINC000246794909 566041390 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N#CC1(CNC(=O)c2ccc3cc(I)ccc3n2)CCC1 ZINC000416346874 566054762 /nfs/dbraw/zinc/05/47/62/566054762.db2.gz MRJONULZAVOZIZ-UHFFFAOYSA-N 0 0 391.212 3.263 10 30 GGEERN Cc1cc(C)c(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1Br ZINC000364518378 566055798 /nfs/dbraw/zinc/05/57/98/566055798.db2.gz JFEHTNWPJBEISB-AWEZNQCLSA-N 0 0 377.286 3.270 10 30 GGEERN C[C@H](Oc1ccccc1C#N)C(=O)NCCNc1cccc(Br)c1 ZINC000180354852 566057016 /nfs/dbraw/zinc/05/70/16/566057016.db2.gz DPCLHATYWHTEAY-ZDUSSCGKSA-N 0 0 388.265 3.316 10 30 GGEERN C=C(C)CN(CC)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000288173243 566061164 /nfs/dbraw/zinc/06/11/64/566061164.db2.gz SDEJWZZJAGUVKL-UHFFFAOYSA-N 0 0 394.191 3.226 10 30 GGEERN C#C[C@@H](NC(=O)c1cc(S(=O)(=O)CC)ccc1Br)C(C)(C)C ZINC000288189603 566062125 /nfs/dbraw/zinc/06/21/25/566062125.db2.gz LPXOFYJHCASYFD-CQSZACIVSA-N 0 0 386.311 3.020 10 30 GGEERN CC(C)(C)n1cc(C#N)cc1NC(=O)c1cnn2cc(Br)cnc12 ZINC000180454667 566063793 /nfs/dbraw/zinc/06/37/93/566063793.db2.gz YVRAUSQQDDTAEK-UHFFFAOYSA-N 0 0 387.241 3.172 10 30 GGEERN N#Cc1cccnc1N1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000247692704 566065162 /nfs/dbraw/zinc/06/51/62/566065162.db2.gz XHPBXSJCQFKYRI-UHFFFAOYSA-N 0 0 377.275 3.461 10 30 GGEERN N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H](c1cccnc1)C1CC1 ZINC000416436263 566068772 /nfs/dbraw/zinc/06/87/72/566068772.db2.gz BZRPQRMJBNOKBV-INIZCTEOSA-N 0 0 392.278 3.145 10 30 GGEERN COc1ccc(Br)cc1CN1CCN(c2ncccc2C#N)CC1 ZINC000248184157 566073521 /nfs/dbraw/zinc/07/35/21/566073521.db2.gz GMQPXPZEMBNMTQ-UHFFFAOYSA-N 0 0 387.281 3.047 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1NC[C@@H]1CCCS(=O)(=O)C1 ZINC000288468975 566075788 /nfs/dbraw/zinc/07/57/88/566075788.db2.gz KKLQZTSLTSCWDN-NSHDSACASA-N 0 0 394.294 3.106 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NCc2ccc(Cl)cn2)cc1C(F)(F)F ZINC000180595912 566076092 /nfs/dbraw/zinc/07/60/92/566076092.db2.gz LLPRDCPGHOBJPJ-UHFFFAOYSA-N 0 0 375.759 3.104 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1NC[C@H]1CCCN(C(N)=O)C1 ZINC000288504887 566077609 /nfs/dbraw/zinc/07/76/09/566077609.db2.gz MQUDVZYWVZFQMQ-LLVKDONJSA-N 0 0 388.269 3.072 10 30 GGEERN C#C[C@H](NC(=O)C(=O)Nc1cc2ccccc2nc1Br)C(C)(C)C ZINC000288559872 566078958 /nfs/dbraw/zinc/07/89/58/566078958.db2.gz ZQJISNHATXFBBM-AWEZNQCLSA-N 0 0 388.265 3.100 10 30 GGEERN C[C@@H](C(=O)OC(C)(C)C)N(C1CC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000416592253 566091759 /nfs/dbraw/zinc/09/17/59/566091759.db2.gz URMHYIYQFSOLDE-NSHDSACASA-N 0 0 384.885 3.095 10 30 GGEERN C#CCN(C(=O)c1ccc(C#N)nc1)[C@H]1CCOc2ccc(Br)cc21 ZINC000365261361 566092514 /nfs/dbraw/zinc/09/25/14/566092514.db2.gz WSVYEPNPTDQDMI-KRWDZBQOSA-N 0 0 396.244 3.315 10 30 GGEERN Cc1c(Br)ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1F ZINC000365326142 566094975 /nfs/dbraw/zinc/09/49/75/566094975.db2.gz MJQDKCTURRBRTL-LBPRGKRZSA-N 0 0 381.249 3.101 10 30 GGEERN N#Cc1ccc(CN2CCNC(=O)C[C@@H]2c2ccccc2)c(Br)c1 ZINC000181055548 566109680 /nfs/dbraw/zinc/10/96/80/566109680.db2.gz VOTGEVVXGIZEJK-GOSISDBHSA-N 0 0 384.277 3.384 10 30 GGEERN COC(=O)c1cc(I)cc(NCc2ccc(C#N)o2)c1 ZINC000181113190 566116105 /nfs/dbraw/zinc/11/61/05/566116105.db2.gz ZLGOORSCJAWCBU-UHFFFAOYSA-N 0 0 382.157 3.155 10 30 GGEERN CC1(C#N)CCN(Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000289306714 566116294 /nfs/dbraw/zinc/11/62/94/566116294.db2.gz CFJMSPYUHTWWAA-UHFFFAOYSA-N 0 0 385.205 3.325 10 30 GGEERN O=C(ON=Cc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252616963 566116311 /nfs/dbraw/zinc/11/63/11/566116311.db2.gz KJQPOIXREMMRFF-UHFFFAOYSA-N 0 0 394.137 3.456 10 30 GGEERN N#Cc1ccc(CN2CCCC[C@@H]2CN2CCOCC2)c(Br)c1 ZINC000181125003 566116614 /nfs/dbraw/zinc/11/66/14/566116614.db2.gz SIXWALLSGNFNCI-QGZVFWFLSA-N 0 0 378.314 3.007 10 30 GGEERN N#Cc1ccc(CN2CCOC[C@@H]2C[C@@H](O)c2ccco2)c(Br)c1 ZINC000181149136 566119165 /nfs/dbraw/zinc/11/91/65/566119165.db2.gz LKJUZCXBGFGXPM-DOTOQJQBSA-N 0 0 391.265 3.238 10 30 GGEERN N#Cc1ccc(CN2CCC[C@@H]2C(=O)Nc2nccs2)c(Br)c1 ZINC000181173481 566121890 /nfs/dbraw/zinc/12/18/90/566121890.db2.gz SOUTVWRUNHMQEC-CQSZACIVSA-N 0 0 391.294 3.380 10 30 GGEERN C[C@H](Sc1nnc(C(F)F)n1C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000181271344 566128402 /nfs/dbraw/zinc/12/84/02/566128402.db2.gz GNNVXNYEMFSLRB-ZETCQYMHSA-N 0 0 383.449 3.294 10 30 GGEERN N#Cc1cc(C(=O)N2CCC[C@H]2c2ccc(I)cc2)c[nH]1 ZINC000181320897 566132800 /nfs/dbraw/zinc/13/28/00/566132800.db2.gz ISIJFHNHFDEJHU-HNNXBMFYSA-N 0 0 391.212 3.468 10 30 GGEERN C=CCCC[C@H](C)NC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000181373093 566137469 /nfs/dbraw/zinc/13/74/69/566137469.db2.gz YHQVKJWHTONKTD-AWEZNQCLSA-N 0 0 381.318 3.421 10 30 GGEERN COc1cc(Br)ccc1CCC[S@](=O)Cc1ncc(C#N)cn1 ZINC000417222695 566138152 /nfs/dbraw/zinc/13/81/52/566138152.db2.gz FURMBHBZXKOOGT-QHCPKHFHSA-N 0 0 394.294 3.001 10 30 GGEERN CCn1ccnc1CN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181437525 566141047 /nfs/dbraw/zinc/14/10/47/566141047.db2.gz ZDPQKWFSHNTEBN-QGZVFWFLSA-N 0 0 388.313 3.048 10 30 GGEERN C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)c1ccc(Cl)s1 ZINC000181450235 566141679 /nfs/dbraw/zinc/14/16/79/566141679.db2.gz FRXJJKHVTBQXOD-VIFPVBQESA-N 0 0 379.873 3.041 10 30 GGEERN N#CCC1(CNC(=O)Nc2c(F)cc(I)cc2F)CC1 ZINC000417283495 566143463 /nfs/dbraw/zinc/14/34/63/566143463.db2.gz CYGSRRTXCIFILR-UHFFFAOYSA-N 0 0 391.159 3.385 10 30 GGEERN C=CCN(Cc1ccc(Cl)s1)c1nnc([C@@H]2COCCO2)n1CC=C ZINC000289884896 566144907 /nfs/dbraw/zinc/14/49/07/566144907.db2.gz ZVWKMVAMQVAQTE-AWEZNQCLSA-N 0 0 380.901 3.460 10 30 GGEERN C=C[C@](C)(O)CC(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC000290330366 566166953 /nfs/dbraw/zinc/16/69/53/566166953.db2.gz LWJZGBGPGOLANR-HOCLYGCPSA-N 0 0 385.245 3.282 10 30 GGEERN C=C[C@@](C)(O)CC(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000290330360 566167491 /nfs/dbraw/zinc/16/74/91/566167491.db2.gz LWJZGBGPGOLANR-GDBMZVCRSA-N 0 0 385.245 3.282 10 30 GGEERN COC(=O)CCS(=O)(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N ZINC000290436904 566171725 /nfs/dbraw/zinc/17/17/25/566171725.db2.gz BNYCRSJZDORVLX-UHFFFAOYSA-N 0 0 396.412 3.016 10 30 GGEERN CCOCc1nc([C@@H](C)NC(=O)Nc2ccc(C#N)c(Br)c2)no1 ZINC000290636634 566181588 /nfs/dbraw/zinc/18/15/88/566181588.db2.gz JGXAGCPMXVPGBO-SECBINFHSA-N 0 0 394.229 3.123 10 30 GGEERN CC1(C)CN(C(=O)Nc2ccc(C#N)c(Br)c2)C[C@@]2(CCOC2)O1 ZINC000367550419 566206859 /nfs/dbraw/zinc/20/68/59/566206859.db2.gz IIHMYYFUUINNMJ-QGZVFWFLSA-N 0 0 394.269 3.123 10 30 GGEERN COC(=O)c1cc(NC(=O)NCc2cccc(C#N)c2)ccc1Br ZINC000182609809 566215284 /nfs/dbraw/zinc/21/52/84/566215284.db2.gz DYVIFBRRHNZTEK-UHFFFAOYSA-N 0 0 388.221 3.429 10 30 GGEERN C[C@@H](C#N)CNC(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC000182788484 566224476 /nfs/dbraw/zinc/22/44/76/566224476.db2.gz UKNKUPHLKBOQQT-FZMZJTMJSA-N 0 0 383.233 3.297 10 30 GGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(Br)cc1Br ZINC000182795987 566225032 /nfs/dbraw/zinc/22/50/32/566225032.db2.gz VOXNPQUIUGBHAG-SECBINFHSA-N 0 0 378.064 3.270 10 30 GGEERN CCN(CC)C(=O)CCCC(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000264887930 566226503 /nfs/dbraw/zinc/22/65/03/566226503.db2.gz LLJHLTQBAGVWGL-OAHLLOKOSA-N 0 0 380.286 3.169 10 30 GGEERN CC(C)c1noc(CCC(=O)N[C@@H](C#N)c2ccc(Br)cc2)n1 ZINC000264930993 566227401 /nfs/dbraw/zinc/22/74/01/566227401.db2.gz YABFYIRUPUHLNM-ZDUSSCGKSA-N 0 0 377.242 3.269 10 30 GGEERN CC(C)(C)OC(=O)NCCC(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000264923138 566227871 /nfs/dbraw/zinc/22/78/71/566227871.db2.gz VMJPQOKRUBXYIK-CYBMUJFWSA-N 0 0 382.258 3.045 10 30 GGEERN C=CCN1CC[C@@H](N(C)c2nc(C(F)(F)F)c(Br)s2)C1=O ZINC000418947878 566228613 /nfs/dbraw/zinc/22/86/13/566228613.db2.gz NYNMHSFGPPFALG-SSDOTTSWSA-N 0 0 384.221 3.148 10 30 GGEERN C=CCN1CC[C@H](N(C)c2nc(C(F)(F)F)c(Br)s2)C1=O ZINC000418947882 566228903 /nfs/dbraw/zinc/22/89/03/566228903.db2.gz NYNMHSFGPPFALG-ZETCQYMHSA-N 0 0 384.221 3.148 10 30 GGEERN Cc1nn(C)c(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183054762 566236736 /nfs/dbraw/zinc/23/67/36/566236736.db2.gz UCEIMACBHOQFSH-HNNXBMFYSA-N 0 0 378.885 3.088 10 30 GGEERN CCn1c(CNC(=O)NCC2(C#N)CCC2)nc2cc(Br)ccc21 ZINC000419495571 566236976 /nfs/dbraw/zinc/23/69/76/566236976.db2.gz RXHFCVRURFFPDK-UHFFFAOYSA-N 0 0 390.285 3.312 10 30 GGEERN C=CCOCCSCC(=O)Nc1ccccc1I ZINC000419511534 566237035 /nfs/dbraw/zinc/23/70/35/566237035.db2.gz XXOSMRAJURBNDQ-UHFFFAOYSA-N 0 0 377.247 3.166 10 30 GGEERN CC(C)Oc1ccc(CCNC(=O)CSCc2nc(C#N)cs2)cc1 ZINC000419658120 566240773 /nfs/dbraw/zinc/24/07/73/566240773.db2.gz YTIMVGZLCLFQPG-UHFFFAOYSA-N 0 0 375.519 3.394 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCC[C@@H]2CC(=O)c2cccs2)ccc1F ZINC000183244610 566241987 /nfs/dbraw/zinc/24/19/87/566241987.db2.gz UKODNRJSWDSMBR-CYBMUJFWSA-N 0 0 378.450 3.185 10 30 GGEERN Cc1csc(NC2CCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC2)n1 ZINC000368708635 566244451 /nfs/dbraw/zinc/24/44/51/566244451.db2.gz VUQGZTFXNVOLQS-UHFFFAOYSA-N 0 0 396.925 3.242 10 30 GGEERN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000266080453 566245721 /nfs/dbraw/zinc/24/57/21/566245721.db2.gz NOZHMQRDZVJUOY-APPDUMDISA-N 0 0 389.297 3.359 10 30 GGEERN CCN(C[C@H](C)C#N)C(=O)c1ncc(Br)cc1Br ZINC000183410778 566246271 /nfs/dbraw/zinc/24/62/71/566246271.db2.gz OMINGFPAAZPRKO-MRVPVSSYSA-N 0 0 375.064 3.228 10 30 GGEERN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(CCC#N)Cc2ccco2)c1 ZINC000183423063 566246750 /nfs/dbraw/zinc/24/67/50/566246750.db2.gz IRGCMWGOKFSYKW-UHFFFAOYSA-N 0 0 383.813 3.254 10 30 GGEERN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2snc(Cl)c2C#N)C1 ZINC000266215406 566247068 /nfs/dbraw/zinc/24/70/68/566247068.db2.gz GVGVEZLFXLKXBR-SECBINFHSA-N 0 0 380.823 3.295 10 30 GGEERN O=C([C@H]1CCCN1CC(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000462119240 566250337 /nfs/dbraw/zinc/25/03/37/566250337.db2.gz GJKANZPHJWJVAU-MRVPVSSYSA-N 0 0 386.258 3.356 10 30 GGEERN C=CCn1c(-c2ccc(Br)cc2)nnc1N(C)CCn1cccn1 ZINC000508940689 566252005 /nfs/dbraw/zinc/25/20/05/566252005.db2.gz ZGQGFOATNZEUNY-UHFFFAOYSA-N 0 0 387.285 3.227 10 30 GGEERN COc1cc(CNS(=O)(=O)c2ccc(C(F)(F)F)s2)ccc1C#N ZINC000462126743 566252024 /nfs/dbraw/zinc/25/20/24/566252024.db2.gz GDLIXFRCHPNRAZ-UHFFFAOYSA-N 0 0 376.381 3.126 10 30 GGEERN C[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599273004 566252517 /nfs/dbraw/zinc/25/25/17/566252517.db2.gz UVSXBPNGSOKWPF-OAHLLOKOSA-N 0 0 385.277 3.091 10 30 GGEERN C=CCC[C@@H]1NC(=O)N(Cc2nc3cc(Br)ccc3n2CC)C1=O ZINC000419945247 566253570 /nfs/dbraw/zinc/25/35/70/566253570.db2.gz JLYGTKYIPZNSEM-LBPRGKRZSA-N 0 0 391.269 3.205 10 30 GGEERN C=CCSCCN1C(=O)[C@@H]2Cc3c(Br)cccc3CN2C1=O ZINC000419953946 566254882 /nfs/dbraw/zinc/25/48/82/566254882.db2.gz QHNHNGSCWLTWIZ-AWEZNQCLSA-N 0 0 381.295 3.057 10 30 GGEERN N#CCC1(CS(=O)(=O)NCC/C=C/c2ccc(Br)cc2)CC1 ZINC000599372883 566256600 /nfs/dbraw/zinc/25/66/00/566256600.db2.gz OKTZVFKQNDKYHZ-HNQUOIGGSA-N 0 0 383.311 3.466 10 30 GGEERN N#C[C@@H](c1ccc(F)cc1)N1CCN(Cc2ccncc2Br)CC1 ZINC000599366232 566256940 /nfs/dbraw/zinc/25/69/40/566256940.db2.gz NFGSDWYRRBBKGD-SFHVURJKSA-N 0 0 389.272 3.366 10 30 GGEERN C[C@H](NC[C@H](O)CC1(C#N)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000599370243 566257122 /nfs/dbraw/zinc/25/71/22/566257122.db2.gz HXLGZVONMAMQRJ-SMDDNHRTSA-N 0 0 391.269 3.204 10 30 GGEERN C=CC[C@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)cc(C(F)(F)F)c2)C1 ZINC000599378850 566258867 /nfs/dbraw/zinc/25/88/67/566258867.db2.gz QONUTNKHRMIEAE-NSHDSACASA-N 0 0 377.384 3.079 10 30 GGEERN C=CC[C@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)OC)C1 ZINC000599374670 566259040 /nfs/dbraw/zinc/25/90/40/566259040.db2.gz JZLZNTIPEFXKJT-NSHDSACASA-N 0 0 377.384 3.079 10 30 GGEERN C[C@H](C#N)CN(C(=O)Nc1cc(Br)cnc1-n1cccn1)C1CC1 ZINC000444935934 566260817 /nfs/dbraw/zinc/26/08/17/566260817.db2.gz IMXVJNWQJXIPGQ-LLVKDONJSA-N 0 0 389.257 3.186 10 30 GGEERN COC(=O)c1ccc(Br)cc1Cn1cc(C#N)c(=O)c2ccccc21 ZINC000509076535 566260920 /nfs/dbraw/zinc/26/09/20/566260920.db2.gz ZSXMDLOMDYQVBE-UHFFFAOYSA-N 0 0 397.228 3.471 10 30 GGEERN N#CC1(C[C@H](O)CN2CCC[C@H]2c2ccc(Br)cn2)CCOCC1 ZINC000599402810 566262171 /nfs/dbraw/zinc/26/21/71/566262171.db2.gz GWAQXIYQJWBDFN-RDJZCZTQSA-N 0 0 394.313 3.052 10 30 GGEERN COc1cc(Br)ccc1[C@H]1CCCN1S(=O)(=O)CCCC#N ZINC000599409313 566262192 /nfs/dbraw/zinc/26/21/92/566262192.db2.gz LOYYSXCRZCAQNY-CQSZACIVSA-N 0 0 387.299 3.228 10 30 GGEERN CC[C@H](C#N)NC(=O)c1cc(Br)cc(I)c1 ZINC000509092534 566263399 /nfs/dbraw/zinc/26/33/99/566263399.db2.gz GGWIPPMYDSLSKB-SNVBAGLBSA-N 0 0 393.022 3.086 10 30 GGEERN C=C(C)Cn1c(COC)nnc1N1CCc2ccc(F)c(Br)c2C1 ZINC000624970699 566263868 /nfs/dbraw/zinc/26/38/68/566263868.db2.gz UUHUAGBRCZJWMY-UHFFFAOYSA-N 0 0 395.276 3.465 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000668796000 566266248 /nfs/dbraw/zinc/26/62/48/566266248.db2.gz ISYPYVCAGMHNJO-MRXNPFEDSA-N 0 0 379.298 3.068 10 30 GGEERN CN(C[C@@H](O)CC1(C#N)CCOCC1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000599470700 566268108 /nfs/dbraw/zinc/26/81/08/566268108.db2.gz TUFWUEGYVQVQSH-XJKSGUPXSA-N 0 0 387.307 3.030 10 30 GGEERN COc1cc(S(=O)(=O)N(CCC(F)(F)F)CC(F)(F)F)ccc1F ZINC000556096014 566271035 /nfs/dbraw/zinc/27/10/35/566271035.db2.gz KEBYVBSZZPNTON-UHFFFAOYSA-N 0 0 383.285 3.340 10 30 GGEERN C=CCn1cc(C(=O)N(Cc2cccc(Br)c2)CC2CC2)nn1 ZINC000648367571 566271243 /nfs/dbraw/zinc/27/12/43/566271243.db2.gz FXMGTNOGTZHIRE-UHFFFAOYSA-N 0 0 375.270 3.279 10 30 GGEERN COC[C@H](C)N([C@H]1CCc2ccccc21)S(=O)(=O)c1ccsc1C#N ZINC000599516454 566271599 /nfs/dbraw/zinc/27/15/99/566271599.db2.gz VFSZHRBUCMTLEH-BBRMVZONSA-N 0 0 376.503 3.333 10 30 GGEERN CCSc1ccc(CC(=O)N=c2ccn(CCC#N)[nH]2)c(Br)c1 ZINC000599532731 566271609 /nfs/dbraw/zinc/27/16/09/566271609.db2.gz UXJRBAXPNCWHJJ-UHFFFAOYSA-N 0 0 393.310 3.274 10 30 GGEERN N#CCc1cccc2c1CCN(S(=O)(=O)c1sccc1Br)C2 ZINC000599512910 566271767 /nfs/dbraw/zinc/27/17/67/566271767.db2.gz AEDDZGXIFNWMDB-UHFFFAOYSA-N 0 0 397.319 3.324 10 30 GGEERN N#CCc1cccc2c1CCN(S(=O)(=O)c1ccc(Br)s1)C2 ZINC000599514856 566272457 /nfs/dbraw/zinc/27/24/57/566272457.db2.gz LXFSKBCOTMBBCM-UHFFFAOYSA-N 0 0 397.319 3.324 10 30 GGEERN CCSc1ccc(CC(=O)NC2(C#N)CCOCC2)c(Br)c1 ZINC000599513822 566272587 /nfs/dbraw/zinc/27/25/87/566272587.db2.gz UPBZZQOXGZHAEG-UHFFFAOYSA-N 0 0 383.311 3.293 10 30 GGEERN CN(CCc1cccc(Br)c1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000462277894 566273144 /nfs/dbraw/zinc/27/31/44/566273144.db2.gz OGOCWAQCLBBPRR-UHFFFAOYSA-N 0 0 397.269 3.323 10 30 GGEERN CN1C(=O)C[C@@H](NC(=O)c2sccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535101008 566277687 /nfs/dbraw/zinc/27/76/87/566277687.db2.gz PKXKIKCREOIXPU-UKRRQHHQSA-N 0 0 377.828 3.114 10 30 GGEERN COC(=O)[C@@]1(NCCC(C)(C)C#N)CCc2cc(Br)ccc2C1 ZINC000599594279 566277910 /nfs/dbraw/zinc/27/79/10/566277910.db2.gz NVVHKBBVQUUXFX-GOSISDBHSA-N 0 0 379.298 3.379 10 30 GGEERN C=CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H]2COC[C@@H]2C1 ZINC000669062659 566281221 /nfs/dbraw/zinc/28/12/21/566281221.db2.gz NUVUTKMKFUDTOE-GJZGRUSLSA-N 0 0 389.297 3.366 10 30 GGEERN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@]2(C)COC[C@]2(C)C1 ZINC000669063968 566282529 /nfs/dbraw/zinc/28/25/29/566282529.db2.gz GDRNHDKYKAZXMN-CALCHBBNSA-N 0 0 392.301 3.085 10 30 GGEERN C=CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H]2COC[C@H]2C1 ZINC000669067208 566282561 /nfs/dbraw/zinc/28/25/61/566282561.db2.gz YXMJROZZQJQVRE-NWDGAFQWSA-N 0 0 395.326 3.428 10 30 GGEERN C=CCn1cc(C(=O)N2CCCc3cc(Br)cc(CC)c32)nn1 ZINC000648426365 566282656 /nfs/dbraw/zinc/28/26/56/566282656.db2.gz SOWFMEAXQIGYTL-UHFFFAOYSA-N 0 0 375.270 3.382 10 30 GGEERN C=CCn1c(-c2ccccc2Br)nnc1N1C[C@H]2COC[C@@]2(C)C1 ZINC000669072294 566283494 /nfs/dbraw/zinc/28/34/94/566283494.db2.gz BPCPIINMHQOWKS-SCLBCKFNSA-N 0 0 389.297 3.366 10 30 GGEERN CCN(c1cccnc1C)S(=O)(=O)c1cccc(Br)c1C#N ZINC000575786844 566284351 /nfs/dbraw/zinc/28/43/51/566284351.db2.gz TXTRRJYTDZJFKS-UHFFFAOYSA-N 0 0 380.267 3.239 10 30 GGEERN COC(=O)[C@@H]1CCN(Cc2cc(C#N)ccc2Br)[C@@H]2CCC[C@@H]21 ZINC000599652777 566284478 /nfs/dbraw/zinc/28/44/78/566284478.db2.gz IDPVLHJNNBSPJJ-BFYDXBDKSA-N 0 0 377.282 3.484 10 30 GGEERN Cn1cc(C#N)cc1-c1nc(-c2n[nH]c(-c3cccc(Br)c3)n2)no1 ZINC000556328105 566284443 /nfs/dbraw/zinc/28/44/43/566284443.db2.gz NCFWEEPYCJARDR-UHFFFAOYSA-N 0 0 396.208 3.161 10 30 GGEERN COC(=O)[C@@H]1CCN(Cc2cc(C#N)ccc2Br)[C@@H]2CCC[C@H]21 ZINC000599652780 566284613 /nfs/dbraw/zinc/28/46/13/566284613.db2.gz IDPVLHJNNBSPJJ-ZMSDIMECSA-N 0 0 377.282 3.484 10 30 GGEERN Cn1cc(C#N)cc1-c1nc(CC(=O)Nc2cccc(Cl)c2Cl)no1 ZINC000445365699 566284883 /nfs/dbraw/zinc/28/48/83/566284883.db2.gz CYCAQXFHZHKOES-UHFFFAOYSA-N 0 0 376.203 3.435 10 30 GGEERN C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1c(Cl)cccc1Br ZINC000509265855 566285054 /nfs/dbraw/zinc/28/50/54/566285054.db2.gz WQVCHGGLRZKBFZ-MFKMUULPSA-N 0 0 394.718 3.362 10 30 GGEERN N#CCc1cccc2c1CCN([C@H](C(N)=O)c1cccc(Br)c1)C2 ZINC000599677278 566286724 /nfs/dbraw/zinc/28/67/24/566286724.db2.gz JAJSNQCLMDGKBZ-SFHVURJKSA-N 0 0 384.277 3.100 10 30 GGEERN N#CCc1cccc2c1CCN([C@H](C(N)=O)c1ccc(Br)cc1)C2 ZINC000599677590 566286904 /nfs/dbraw/zinc/28/69/04/566286904.db2.gz NBENHUVDSZTGGY-SFHVURJKSA-N 0 0 384.277 3.100 10 30 GGEERN Cc1cc(I)cn(CC#Cc2ccccc2Cl)c1=O ZINC000535235109 566288913 /nfs/dbraw/zinc/28/89/13/566288913.db2.gz UWQWCDKYYHSZRH-UHFFFAOYSA-N 0 0 383.616 3.466 10 30 GGEERN C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599736395 566291246 /nfs/dbraw/zinc/29/12/46/566291246.db2.gz GAXNWQIBZAJHPS-QWDPUBGOSA-N 0 0 377.535 3.456 10 30 GGEERN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)Cc1ccc(C#N)nc1 ZINC000599730991 566291671 /nfs/dbraw/zinc/29/16/71/566291671.db2.gz LTZVOVCNSCRLJF-KPZWWZAWSA-N 0 0 388.265 3.151 10 30 GGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000669248793 566292279 /nfs/dbraw/zinc/29/22/79/566292279.db2.gz RCLAIRHFZXBIQF-XJKCOSOUSA-N 0 0 394.313 3.272 10 30 GGEERN C[C@H](C(=O)N1CCC(c2cccc(Cl)c2Cl)CC1)n1cnc(C#N)n1 ZINC000462401115 566295587 /nfs/dbraw/zinc/29/55/87/566295587.db2.gz OWSHJGQKLFNOKC-LLVKDONJSA-N 0 0 378.263 3.424 10 30 GGEERN CN1c2ccc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)cc2CCC1=O ZINC000535333228 566296563 /nfs/dbraw/zinc/29/65/63/566296563.db2.gz SJFDXWWDIXVCMT-MRXNPFEDSA-N 0 0 398.260 3.353 10 30 GGEERN N#C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc(F)cc1 ZINC000445664980 566302509 /nfs/dbraw/zinc/30/25/09/566302509.db2.gz NTNVQRKCEHGKQR-HNNXBMFYSA-N 0 0 392.184 3.420 10 30 GGEERN O=C(NCC[C@H](O)C(F)(F)F)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000482379368 566304213 /nfs/dbraw/zinc/30/42/13/566304213.db2.gz CETKDEIILXXXRF-WCBMZHEXSA-N 0 0 380.235 3.181 10 30 GGEERN O=C(N[C@H](CO)CC(F)(F)F)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000482379131 566304270 /nfs/dbraw/zinc/30/42/70/566304270.db2.gz MGNQTJFZUGWWPQ-WKEGUHRASA-N 0 0 380.235 3.181 10 30 GGEERN C=CCOCCNC(=O)Nc1cc(F)c(Cl)cc1I ZINC000599929146 566304392 /nfs/dbraw/zinc/30/43/92/566304392.db2.gz XQEKKWYCYLHKCB-UHFFFAOYSA-N 0 0 398.603 3.408 10 30 GGEERN C=CCN(CCOC)C(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000482382872 566305240 /nfs/dbraw/zinc/30/52/40/566305240.db2.gz SJURPRRYUCXYLF-UHFFFAOYSA-N 0 0 378.270 3.218 10 30 GGEERN C=CCCCC(=O)N[C@H](Cc1c[nH]c2cccc(Br)c12)C(=O)OC ZINC000535448790 566305423 /nfs/dbraw/zinc/30/54/23/566305423.db2.gz WZQMSCKZVUNJMK-OAHLLOKOSA-N 0 0 393.281 3.487 10 30 GGEERN C=CCSCCNC(=O)N[C@@H](c1ccc(C(=O)OC)cc1)C(F)(F)F ZINC000482391039 566306189 /nfs/dbraw/zinc/30/61/89/566306189.db2.gz RWWBTYPRXJPAMW-ZDUSSCGKSA-N 0 0 376.400 3.295 10 30 GGEERN C[C@@](O)(CNC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F)C(F)(F)F ZINC000482392686 566306292 /nfs/dbraw/zinc/30/62/92/566306292.db2.gz VMSVOJPLVIUKAK-GXSJLCMTSA-N 0 0 380.235 3.181 10 30 GGEERN CSc1ccc(NC(=O)C(=O)NCC2(C#N)CCCC2)cc1Br ZINC000599988081 566307388 /nfs/dbraw/zinc/30/73/88/566307388.db2.gz WKXXZDXFBIOYFK-UHFFFAOYSA-N 0 0 396.310 3.310 10 30 GGEERN C=CCC[C@H](NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)C(=O)OCC ZINC000599996317 566308842 /nfs/dbraw/zinc/30/88/42/566308842.db2.gz JTJCETPNUMPINK-BSWAZPDLSA-N 0 0 392.293 3.349 10 30 GGEERN C=CCC[C@@H](NC(=O)c1ccc(Br)c(F)c1F)C(=O)OCC ZINC000599995946 566309369 /nfs/dbraw/zinc/30/93/69/566309369.db2.gz HSSPETUKUAQLKG-LLVKDONJSA-N 0 0 376.197 3.355 10 30 GGEERN N#Cc1ccnc(C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)c1 ZINC000509498458 566310917 /nfs/dbraw/zinc/31/09/17/566310917.db2.gz NGCCYUOYOFMXLB-MRXNPFEDSA-N 0 0 385.265 3.432 10 30 GGEERN C[C@@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)c1cccc(Br)c1 ZINC000462488124 566310993 /nfs/dbraw/zinc/31/09/93/566310993.db2.gz VDUNDCHPPOICQR-CQSZACIVSA-N 0 0 399.292 3.168 10 30 GGEERN N#Cc1cc(NC(=O)C(=O)NCC[C@H]2CC=CCC2)ccc1Br ZINC000600043002 566311116 /nfs/dbraw/zinc/31/11/16/566311116.db2.gz FWLWSLWRNSJECR-LBPRGKRZSA-N 0 0 376.254 3.122 10 30 GGEERN C=CC[C@H]1CCN(S(=O)(=O)c2cc(Br)c(OC)cc2OC)C1 ZINC000625349461 566312984 /nfs/dbraw/zinc/31/29/84/566312984.db2.gz BXJVLSKXDMYRQK-NSHDSACASA-N 0 0 390.299 3.053 10 30 GGEERN N#Cc1ccc(C2(C(=O)Nc3ccc(I)cn3)CC2)cc1 ZINC000445826102 566312892 /nfs/dbraw/zinc/31/28/92/566312892.db2.gz VBMPSTVIEZAKQF-UHFFFAOYSA-N 0 0 389.196 3.228 10 30 GGEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cc(F)c(Br)cc2OC)C1 ZINC000625349630 566313107 /nfs/dbraw/zinc/31/31/07/566313107.db2.gz CZTBTLVFDRZRTH-SNVBAGLBSA-N 0 0 378.263 3.184 10 30 GGEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cc(Br)c(F)cc2OC)C1 ZINC000625355571 566313183 /nfs/dbraw/zinc/31/31/83/566313183.db2.gz SBWASQZKZSTNDA-SNVBAGLBSA-N 0 0 378.263 3.184 10 30 GGEERN N#C[C@@H](NC(=O)c1ccc(OCC(F)F)nc1)c1ccc(Br)cc1 ZINC000535585349 566313738 /nfs/dbraw/zinc/31/37/38/566313738.db2.gz OKYUVIYRENEYCO-CYBMUJFWSA-N 0 0 396.191 3.483 10 30 GGEERN CCC(C#N)(CC)C(=O)Nc1nc2cc(I)ccc2[nH]1 ZINC000600111431 566316444 /nfs/dbraw/zinc/31/64/44/566316444.db2.gz NCIPNSYUIAPHHN-UHFFFAOYSA-N 0 0 382.205 3.436 10 30 GGEERN CN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000509592642 566319060 /nfs/dbraw/zinc/31/90/60/566319060.db2.gz PGBPWBMGRLXSBX-UHFFFAOYSA-N 0 0 394.865 3.144 10 30 GGEERN N#CC1(CNCc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)CC1 ZINC000600154390 566319733 /nfs/dbraw/zinc/31/97/33/566319733.db2.gz ZSPRVDOVMFGSCN-UHFFFAOYSA-N 0 0 384.307 3.098 10 30 GGEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc[nH]c(=O)c1Br ZINC000446025208 566324497 /nfs/dbraw/zinc/32/44/97/566324497.db2.gz BKSMUZBWEJLUEP-UHFFFAOYSA-N 0 0 392.209 3.286 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCCC(F)(F)CC2)C1 ZINC000600253518 566328355 /nfs/dbraw/zinc/32/83/55/566328355.db2.gz DSMZBFKJXSYRTA-UHFFFAOYSA-N 0 0 398.251 3.405 10 30 GGEERN C=CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C)[C@H](F)C1 ZINC000669815595 566328546 /nfs/dbraw/zinc/32/85/46/566328546.db2.gz MHNJIMWWIUUEGK-WCQYABFASA-N 0 0 382.281 3.416 10 30 GGEERN CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc[nH]c(=O)c1Br ZINC000446099264 566329162 /nfs/dbraw/zinc/32/91/62/566329162.db2.gz IRDRJMJMTCLUHM-UHFFFAOYSA-N 0 0 376.210 3.461 10 30 GGEERN N#Cc1ccc(NC(=O)c2cnn3cc(Br)cnc23)c(Cl)c1 ZINC000535820657 566329758 /nfs/dbraw/zinc/32/97/58/566329758.db2.gz IRDSMZJEUHPWFO-UHFFFAOYSA-N 0 0 376.601 3.269 10 30 GGEERN CC(=O)Nc1ccc(O)c(C(=O)N[C@H](C#N)c2ccc(Br)cc2)c1 ZINC000535847791 566332133 /nfs/dbraw/zinc/33/21/33/566332133.db2.gz JVJULGDJIRWGCN-OAHLLOKOSA-N 0 0 388.221 3.108 10 30 GGEERN N#Cc1ccc(CNC(=O)C(=O)c2ccc(Br)cc2)cc1Cl ZINC000669891618 566335631 /nfs/dbraw/zinc/33/56/31/566335631.db2.gz YQXSJTQWUVQJKC-UHFFFAOYSA-N 0 0 377.625 3.473 10 30 GGEERN CC1([NH+]2CCOCC2)CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC000600411605 566337789 /nfs/dbraw/zinc/33/77/89/566337789.db2.gz RMAYNDFJSFIPBN-UHFFFAOYSA-N 0 0 382.291 3.192 10 30 GGEERN C[C@@H]1[C@H](C(F)(F)F)OCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000625574874 566338253 /nfs/dbraw/zinc/33/82/53/566338253.db2.gz SNNFWABRVPDCKB-RDDDGLTNSA-N 0 0 395.296 3.185 10 30 GGEERN N#Cc1ccc(C2(NC(=O)c3nscc3Br)CCOCC2)cc1 ZINC000600475468 566339744 /nfs/dbraw/zinc/33/97/44/566339744.db2.gz CPQMFLLOSHJFHH-UHFFFAOYSA-N 0 0 392.278 3.213 10 30 GGEERN CC1(C#N)CCN(C(=O)[C@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000446278470 566340464 /nfs/dbraw/zinc/34/04/64/566340464.db2.gz SWQGBMVWSZKHFA-ZDUSSCGKSA-N 0 0 376.254 3.027 10 30 GGEERN COCCN(Cc1sccc1Br)C(=O)c1ccc(C#N)nc1 ZINC000482943192 566344707 /nfs/dbraw/zinc/34/47/07/566344707.db2.gz FJQLFSRBQSNKHJ-UHFFFAOYSA-N 0 0 380.267 3.066 10 30 GGEERN COC(=O)c1cccc(CC(=O)N[C@H](C#N)c2ccc(Br)cc2)c1 ZINC000536088474 566349769 /nfs/dbraw/zinc/34/97/69/566349769.db2.gz TZTRCEPFONGHIV-MRXNPFEDSA-N 0 0 387.233 3.159 10 30 GGEERN COC(=O)[C@@H](Cc1c[nH]c2cccc(Br)c12)Nc1cccc(C#N)n1 ZINC000536086084 566350389 /nfs/dbraw/zinc/35/03/89/566350389.db2.gz QKQCJTSLUQDTBN-OAHLLOKOSA-N 0 0 399.248 3.393 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCc1ncn(-c2ccccc2)n1 ZINC000536117365 566351520 /nfs/dbraw/zinc/35/15/20/566351520.db2.gz RTGDUWCLYKXFMM-UHFFFAOYSA-N 0 0 385.221 3.489 10 30 GGEERN C=CCN(Cc1nn(C)cc1Cl)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000421177404 566353280 /nfs/dbraw/zinc/35/32/80/566353280.db2.gz AAJPSNZMXFSPQO-UHFFFAOYSA-N 0 0 393.818 3.469 10 30 GGEERN C=CCC1(C(=O)NCc2cc(OC)c(O)cc2Br)CCOCC1 ZINC000649196797 566353430 /nfs/dbraw/zinc/35/34/30/566353430.db2.gz WZSAYOSSYLXXQQ-UHFFFAOYSA-N 0 0 384.270 3.152 10 30 GGEERN C=CCOCCCC(=O)NCc1nc2cc(Br)ccc2n1CC ZINC000483061339 566356959 /nfs/dbraw/zinc/35/69/59/566356959.db2.gz QWGNZRTYFQFOIB-UHFFFAOYSA-N 0 0 380.286 3.418 10 30 GGEERN C=CCN1CC[C@@H](N2CCC[C@H]2c2ccc(Br)cc2OC)C1=O ZINC000625794520 566359084 /nfs/dbraw/zinc/35/90/84/566359084.db2.gz LEXOUNIPYIZWAX-JKSUJKDBSA-N 0 0 379.298 3.382 10 30 GGEERN C=CCN1CC[C@@H](N2CCC[C@@H]2c2ccc(Br)cc2OC)C1=O ZINC000625794519 566359352 /nfs/dbraw/zinc/35/93/52/566359352.db2.gz LEXOUNIPYIZWAX-HZPDHXFCSA-N 0 0 379.298 3.382 10 30 GGEERN N#CC1(C[C@H](O)CNc2cccc(Oc3ncc(Br)cn3)c2)CC1 ZINC000600741990 566362033 /nfs/dbraw/zinc/36/20/33/566362033.db2.gz IHUWBODOBMWMOD-AWEZNQCLSA-N 0 0 389.253 3.498 10 30 GGEERN N#Cc1ccc(OCC(=O)N2CC(Cc3cccs3)C2)cc1Br ZINC000600759889 566364587 /nfs/dbraw/zinc/36/45/87/566364587.db2.gz GFGHPATVOBPOBO-UHFFFAOYSA-N 0 0 391.290 3.462 10 30 GGEERN CC(C)(C)OC(=O)CSCC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000576618119 566364845 /nfs/dbraw/zinc/36/48/45/566364845.db2.gz LSIHQIRTOIHAGZ-UHFFFAOYSA-N 0 0 385.283 3.334 10 30 GGEERN N#CCc1cccc2c1CCN(C(=O)c1cc3c(c(Br)c1)OCO3)C2 ZINC000600783830 566365067 /nfs/dbraw/zinc/36/50/67/566365067.db2.gz COPYKJOFUDBMII-UHFFFAOYSA-N 0 0 399.244 3.442 10 30 GGEERN N#CCc1cccc2c1CCN(C(=O)Cc1ccc(Br)cc1O)C2 ZINC000600788551 566365189 /nfs/dbraw/zinc/36/51/89/566365189.db2.gz OJNHYQSCIFMTCS-UHFFFAOYSA-N 0 0 385.261 3.348 10 30 GGEERN N#CCc1cccc2c1CCN(C(=O)COc1cccc(Br)c1)C2 ZINC000600775054 566365749 /nfs/dbraw/zinc/36/57/49/566365749.db2.gz CATAAHKSERYPBU-UHFFFAOYSA-N 0 0 385.261 3.479 10 30 GGEERN Cc1c(I)cc(Br)cc1NC(=O)[C@@H](C)C#N ZINC000600807274 566367339 /nfs/dbraw/zinc/36/73/39/566367339.db2.gz AEHXRFOEFQLMDO-LURJTMIESA-N 0 0 393.022 3.460 10 30 GGEERN C=CCc1cc(C(=O)Nc2c[nH]cc(Br)c2=O)cc(OC)c1OC ZINC000536359885 566368376 /nfs/dbraw/zinc/36/83/76/566368376.db2.gz ZEEVAQKBSGXGDA-UHFFFAOYSA-N 0 0 393.237 3.135 10 30 GGEERN N#C[C@H](NC(=O)Cn1cnc(-c2ccccc2)n1)c1ccc(Br)cc1 ZINC000536376488 566369973 /nfs/dbraw/zinc/36/99/73/566369973.db2.gz AFNFDKIFLISTNL-INIZCTEOSA-N 0 0 396.248 3.089 10 30 GGEERN CCOC(=O)c1cnc(N2CCN(c3c(Cl)cccc3C#N)CC2)s1 ZINC000462946783 566370046 /nfs/dbraw/zinc/37/00/46/566370046.db2.gz KMEOSMJZGVNDGO-UHFFFAOYSA-N 0 0 376.869 3.171 10 30 GGEERN CCOC(=O)c1cnc(N2CCN(c3ccc(Cl)cc3C#N)CC2)s1 ZINC000462940233 566370506 /nfs/dbraw/zinc/37/05/06/566370506.db2.gz OCFYPAUWKKEPHG-UHFFFAOYSA-N 0 0 376.869 3.171 10 30 GGEERN CCOC(=O)c1cnc(N2CCN(c3ccc(C#N)c(Cl)c3)CC2)s1 ZINC000462940672 566370690 /nfs/dbraw/zinc/37/06/90/566370690.db2.gz ONGHKAVUHAXODI-UHFFFAOYSA-N 0 0 376.869 3.171 10 30 GGEERN C[C@@H](NCc1nc(C#N)cs1)c1ccc(Br)cc1OCCCO ZINC000463046128 566378714 /nfs/dbraw/zinc/37/87/14/566378714.db2.gz YOZFJFSUKBCVSY-LLVKDONJSA-N 0 0 396.310 3.389 10 30 GGEERN C=CCN(CCC#N)C(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000557384378 566380874 /nfs/dbraw/zinc/38/08/74/566380874.db2.gz JJYYMKFMBFSDSR-KRWDZBQOSA-N 0 0 382.291 3.295 10 30 GGEERN N#Cc1cccnc1N1CCN(Cc2nc3ccc(Br)cc3o2)CC1 ZINC000463070462 566380903 /nfs/dbraw/zinc/38/09/03/566380903.db2.gz NXXNSSUNSJNZHA-UHFFFAOYSA-N 0 0 398.264 3.179 10 30 GGEERN 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CO[C@H](c1ccc(F)cc1)[C@H](C)NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000539948753 566616645 /nfs/dbraw/zinc/61/66/45/566616645.db2.gz HQMQWROULCXOTH-GTNSWQLSSA-N 0 0 382.844 3.405 10 30 GGEERN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(CC)[C@@H]1CCCOC1 ZINC000652563684 566619601 /nfs/dbraw/zinc/61/96/01/566619601.db2.gz WQWQOHJYXPLOHF-CYBMUJFWSA-N 0 0 380.290 3.227 10 30 GGEERN COC(C)(C)CS(=O)(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N ZINC000425233877 566620080 /nfs/dbraw/zinc/62/00/80/566620080.db2.gz YTWYNXIELFRGDC-LBPRGKRZSA-N 0 0 378.416 3.174 10 30 GGEERN C=CCNC(=O)c1ccc(NC(=O)c2sc(S(N)(=O)=O)cc2C)cc1 ZINC000513764381 566622313 /nfs/dbraw/zinc/62/23/13/566622313.db2.gz NCIVGKYCQSNDOV-UHFFFAOYSA-N 0 0 379.463 3.103 10 30 GGEERN CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C)(C#N)CC1 ZINC000579616630 566623645 /nfs/dbraw/zinc/62/36/45/566623645.db2.gz GFENWPMQFSMRSZ-UHFFFAOYSA-N 0 0 377.290 3.196 10 30 GGEERN COC[C@@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000486823379 566625157 /nfs/dbraw/zinc/62/51/57/566625157.db2.gz OWLXOQRSOSEYPK-KRWDZBQOSA-N 0 0 382.844 3.359 10 30 GGEERN C=CCCOCC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000675136157 566625343 /nfs/dbraw/zinc/62/53/43/566625343.db2.gz WAXCKTMYYUZUOW-LBPRGKRZSA-N 0 0 377.794 3.041 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)cc1Cl ZINC000540068737 566626396 /nfs/dbraw/zinc/62/63/96/566626396.db2.gz HYGPNCNLBYCTCL-CRAIPNDOSA-N 0 0 376.865 3.268 10 30 GGEERN N#Cc1cc(S(=O)(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)ccc1Cl ZINC000540071629 566627408 /nfs/dbraw/zinc/62/74/08/566627408.db2.gz SOPYORGIFZGYKT-KBXCAEBGSA-N 0 0 376.865 3.268 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NCCOCc2ccc(Cl)cc2)cc1Cl ZINC000513847596 566629067 /nfs/dbraw/zinc/62/90/67/566629067.db2.gz OXXMQKKMVGSFHY-UHFFFAOYSA-N 0 0 385.272 3.360 10 30 GGEERN Cc1noc(C)c1CO[C@@H]1CCN(c2ncc(Br)cc2C#N)C1 ZINC000579674327 566629487 /nfs/dbraw/zinc/62/94/87/566629487.db2.gz PPXHTTPVXKRMHZ-CQSZACIVSA-N 0 0 377.242 3.116 10 30 GGEERN C=CCCN(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000467150572 566630225 /nfs/dbraw/zinc/63/02/25/566630225.db2.gz IZEGHXZMLJEDOT-UHFFFAOYSA-N 0 0 379.176 3.441 10 30 GGEERN C=CCN(CCOC)c1nnc(-c2scnc2C)n1Cc1cccs1 ZINC000579712364 566632277 /nfs/dbraw/zinc/63/22/77/566632277.db2.gz TYQPNBRUQCRNGK-UHFFFAOYSA-N 0 0 375.523 3.459 10 30 GGEERN Cn1cc(C#N)cc1C(=O)NCc1ccc(Cl)cc1I ZINC000486893697 566634656 /nfs/dbraw/zinc/63/46/56/566634656.db2.gz CALYIQZAXUPFHI-UHFFFAOYSA-N 0 0 399.619 3.085 10 30 GGEERN N#Cc1nc(NCc2nnc(-c3ccc(Br)cc3)[nH]2)ccc1Cl ZINC000486938595 566638120 /nfs/dbraw/zinc/63/81/20/566638120.db2.gz ITQKUZWVMNNRSO-UHFFFAOYSA-N 0 0 389.644 3.188 10 30 GGEERN N#Cc1ccc(OCC(=O)NCCC[C@H]2CCCC[C@@H]2O)cc1Br ZINC000450170532 566641058 /nfs/dbraw/zinc/64/10/58/566641058.db2.gz DSYYXZDMBJOFKZ-DYVFJYSZSA-N 0 0 395.297 3.147 10 30 GGEERN C=CCN(Cc1ccc(Cl)s1)Cc1nc(-c2cc(OC)ncn2)no1 ZINC000450214624 566645371 /nfs/dbraw/zinc/64/53/71/566645371.db2.gz KKUJNQABRKZFOC-UHFFFAOYSA-N 0 0 377.857 3.438 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCCc1ccc(Br)cc1OC ZINC000425501363 566650727 /nfs/dbraw/zinc/65/07/27/566650727.db2.gz DYRRJUCNAJSALE-HOCLYGCPSA-N 0 0 397.313 3.281 10 30 GGEERN COc1cc(OC)c(CNc2ncc(Br)cc2C#N)c(OC)c1 ZINC000450261784 566651455 /nfs/dbraw/zinc/65/14/55/566651455.db2.gz JWCJLPMHHXHBFO-UHFFFAOYSA-N 0 0 378.226 3.354 10 30 GGEERN Cc1cc(Br)cc2c1CN([C@@H](C(N)=O)c1ccc(C#N)cc1)CC2 ZINC000540479624 566653581 /nfs/dbraw/zinc/65/35/81/566653581.db2.gz RESMDBFVNJHGFD-GOSISDBHSA-N 0 0 384.277 3.214 10 30 GGEERN CCOc1cccc([C@H]2C[C@@H]2NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000540485848 566654789 /nfs/dbraw/zinc/65/47/89/566654789.db2.gz JDNSSAAXOSCNPG-AEFFLSMTSA-N 0 0 376.865 3.445 10 30 GGEERN C=CCCCCCNC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F ZINC000579970068 566655363 /nfs/dbraw/zinc/65/53/63/566655363.db2.gz YORCKLXMVKXBBP-UHFFFAOYSA-N 0 0 392.290 3.468 10 30 GGEERN N#Cc1cc(Br)cnc1NC1CCN(C(=O)CC(F)(F)F)CC1 ZINC000450304817 566655826 /nfs/dbraw/zinc/65/58/26/566655826.db2.gz NXBPMHUCPALDQG-UHFFFAOYSA-N 0 0 391.191 3.071 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC)CCOc1ccc(Br)cc1 ZINC000425564431 566656056 /nfs/dbraw/zinc/65/60/56/566656056.db2.gz LQRVYIKWCRYPPX-YOEHRIQHSA-N 0 0 397.313 3.451 10 30 GGEERN C[C@H]1CSCCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000487233605 566658384 /nfs/dbraw/zinc/65/83/84/566658384.db2.gz GSLVPYYLFLUSIQ-GFCCVEGCSA-N 0 0 375.885 3.036 10 30 GGEERN N#Cc1cc(Br)cnc1N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000450328581 566659028 /nfs/dbraw/zinc/65/90/28/566659028.db2.gz OZPDYECMLVEXRY-UHFFFAOYSA-N 0 0 391.313 3.381 10 30 GGEERN N#CCCC[C@@H](NC(=O)c1nc2ncc(Br)cn2n1)c1ccccc1 ZINC000487249592 566659312 /nfs/dbraw/zinc/65/93/12/566659312.db2.gz IJQPYMNNYYOJTO-CQSZACIVSA-N 0 0 399.252 3.052 10 30 GGEERN COc1cc(F)ccc1N1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000450339289 566659916 /nfs/dbraw/zinc/65/99/16/566659916.db2.gz PUMAPCYBNCALCL-UHFFFAOYSA-N 0 0 391.244 3.190 10 30 GGEERN Cc1sc(=O)n(CCC(=O)Nc2ccc(Br)c(C#N)c2C)c1C ZINC000425623329 566659948 /nfs/dbraw/zinc/65/99/48/566659948.db2.gz BRPJJJYNVHWYBT-UHFFFAOYSA-N 0 0 394.294 3.498 10 30 GGEERN N#Cc1cc(Br)cnc1N1CCN(c2cccc(F)c2F)CC1 ZINC000450334932 566660542 /nfs/dbraw/zinc/66/05/42/566660542.db2.gz VITLEZZGIWRHIY-UHFFFAOYSA-N 0 0 379.208 3.321 10 30 GGEERN CC(=O)N[C@H](CC1CCC1)C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000425628861 566660737 /nfs/dbraw/zinc/66/07/37/566660737.db2.gz LNKDPUBDPPZGAR-MRXNPFEDSA-N 0 0 378.270 3.263 10 30 GGEERN Cc1c(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)ccc(Br)c1C#N ZINC000425625719 566661039 /nfs/dbraw/zinc/66/10/39/566661039.db2.gz GOPSNLKTNWBMBP-ZDUSSCGKSA-N 0 0 390.281 3.216 10 30 GGEERN Cc1c(NC(=O)[C@@H]2CCCN2C(=O)C(C)C)ccc(Br)c1C#N ZINC000425628790 566661136 /nfs/dbraw/zinc/66/11/36/566661136.db2.gz LGSIDUZYHKEQIJ-HNNXBMFYSA-N 0 0 378.270 3.215 10 30 GGEERN Cc1c(NC(=O)[C@@H](C)NC(=O)C2CCCC2)ccc(Br)c1C#N ZINC000425634612 566661216 /nfs/dbraw/zinc/66/12/16/566661216.db2.gz URWQGSUDUPRBHI-LLVKDONJSA-N 0 0 378.270 3.263 10 30 GGEERN Cc1c(NC(=O)[C@@H](C(C)C)N2CCCC2=O)ccc(Br)c1C#N ZINC000425637704 566662399 /nfs/dbraw/zinc/66/23/99/566662399.db2.gz YOQOSTLHWTXAGX-MRXNPFEDSA-N 0 0 378.270 3.215 10 30 GGEERN Cc1c(C(=O)Nc2ccc(Br)c(C#N)c2C)nn2c1OCCC2 ZINC000425636633 566662935 /nfs/dbraw/zinc/66/29/35/566662935.db2.gz WPTCIBYPZBCJNJ-UHFFFAOYSA-N 0 0 375.226 3.169 10 30 GGEERN N#Cc1cc(Br)cnc1N1CCN(c2cc(F)ccc2F)CC1 ZINC000450372643 566663203 /nfs/dbraw/zinc/66/32/03/566663203.db2.gz PXLAZWUPNBVPAZ-UHFFFAOYSA-N 0 0 379.208 3.321 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000425671662 566665502 /nfs/dbraw/zinc/66/55/02/566665502.db2.gz IWWCMAJKQGDBJR-HZMBPMFUSA-N 0 0 384.230 3.378 10 30 GGEERN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1ccc(C#N)n1C ZINC000450388556 566665795 /nfs/dbraw/zinc/66/57/95/566665795.db2.gz ILTUAIOQZSTNNA-BDJLRTHQSA-N 0 0 376.254 3.165 10 30 GGEERN COC[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000487363744 566666503 /nfs/dbraw/zinc/66/65/03/566666503.db2.gz GQFGDURTNMNVBE-QGZVFWFLSA-N 0 0 382.844 3.158 10 30 GGEERN N#CCCN(C(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000580223992 566674277 /nfs/dbraw/zinc/67/42/77/566674277.db2.gz WTUMNMSUTGRIGS-UHFFFAOYSA-N 0 0 380.828 3.200 10 30 GGEERN COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1ccc(C(F)(F)F)c(F)c1C ZINC000467920020 566674574 /nfs/dbraw/zinc/67/45/74/566674574.db2.gz NIAXAAKVVCDVCN-SECBINFHSA-N 0 0 375.240 3.377 10 30 GGEERN COC(=O)C[C@](C)(NCc1ccc(C#N)cn1)c1ccc(Br)cc1 ZINC000514871389 566675147 /nfs/dbraw/zinc/67/51/47/566675147.db2.gz UXPKXVXTKNKOJA-SFHVURJKSA-N 0 0 388.265 3.284 10 30 GGEERN N#CCCC[C@H](NC(=O)Cn1cc(Br)ccc1=O)c1ccccc1 ZINC000487513904 566677291 /nfs/dbraw/zinc/67/72/91/566677291.db2.gz KIYQXGRNNBGBTK-INIZCTEOSA-N 0 0 388.265 3.162 10 30 GGEERN Cc1c(NC(=O)C(=O)N(CC2CC2)C2CCC2)ccc(Br)c1C#N ZINC000425776118 566677307 /nfs/dbraw/zinc/67/73/07/566677307.db2.gz SUZPRFVHHHWXFP-UHFFFAOYSA-N 0 0 390.281 3.359 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)ccc1SC(C)C ZINC000425796141 566678750 /nfs/dbraw/zinc/67/87/50/566678750.db2.gz NPTXYEXPGLGUTI-WFASDCNBSA-N 0 0 382.913 3.486 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000425798166 566678807 /nfs/dbraw/zinc/67/88/07/566678807.db2.gz YQXDXZYGYYSPLU-ZANVPECISA-N 0 0 376.762 3.005 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1C(C)C ZINC000425796168 566678932 /nfs/dbraw/zinc/67/89/32/566678932.db2.gz NWWYZURHTWEMPG-LRDDRELGSA-N 0 0 395.297 3.218 10 30 GGEERN Cc1c(NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)ccc(Br)c1C#N ZINC000514933344 566680203 /nfs/dbraw/zinc/68/02/03/566680203.db2.gz LOILQAQLJNYZEE-LBPRGKRZSA-N 0 0 378.270 3.072 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000425910600 566680607 /nfs/dbraw/zinc/68/06/07/566680607.db2.gz WSZIPVGHZMLAIF-MKBNYLNASA-N 0 0 385.291 3.220 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000425910535 566681594 /nfs/dbraw/zinc/68/15/94/566681594.db2.gz WKDJFRQKFNKISA-FFSVYQOJSA-N 0 0 385.291 3.220 10 30 GGEERN Cn1ncc(Br)c1CN1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000425978780 566683860 /nfs/dbraw/zinc/68/38/60/566683860.db2.gz QQAOYQYOAQPVME-UHFFFAOYSA-N 0 0 394.704 3.030 10 30 GGEERN CC(C)N1C(=O)CN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1(C)C ZINC000487838114 566693355 /nfs/dbraw/zinc/69/33/55/566693355.db2.gz MWPBJEXSYMJXIS-UHFFFAOYSA-N 0 0 393.285 3.184 10 30 GGEERN CC(C)Cn1ccnc1CNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487853426 566693504 /nfs/dbraw/zinc/69/35/04/566693504.db2.gz ILANHFRSLBHDOE-UHFFFAOYSA-N 0 0 376.258 3.495 10 30 GGEERN CCC1(CC)C(=O)N(C)C(=O)N(Cc2ccc(C#N)cc2Br)C1=O ZINC000487876420 566694253 /nfs/dbraw/zinc/69/42/53/566694253.db2.gz SYQCFIAMGZFIJE-UHFFFAOYSA-N 0 0 392.253 3.048 10 30 GGEERN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCC2CCSCC2)n1 ZINC000541098063 566695585 /nfs/dbraw/zinc/69/55/85/566695585.db2.gz UUZGANAHTSERPU-UHFFFAOYSA-N 0 0 375.885 3.084 10 30 GGEERN CC[C@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCS1 ZINC000541099292 566696432 /nfs/dbraw/zinc/69/64/32/566696432.db2.gz UANFQQCHEBRMNN-AWEZNQCLSA-N 0 0 375.885 3.179 10 30 GGEERN Cc1cc(NC(=O)C(=O)N(C[C@@H](C)C#N)C2CC2)cc(C)c1Br ZINC000426190590 566697208 /nfs/dbraw/zinc/69/72/08/566697208.db2.gz GSGRLYFEBAVQLE-JTQLQIEISA-N 0 0 378.270 3.155 10 30 GGEERN Cc1ccc(CN(CCO)C(=O)Nc2ccc(C#N)c(Br)c2)o1 ZINC000487926503 566698421 /nfs/dbraw/zinc/69/84/21/566698421.db2.gz YERKTVFAMKSARC-UHFFFAOYSA-N 0 0 378.226 3.249 10 30 GGEERN C=CCCCNC(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000468395352 566699746 /nfs/dbraw/zinc/69/97/46/566699746.db2.gz LWKKZAOSLXKPEK-UHFFFAOYSA-N 0 0 398.834 3.110 10 30 GGEERN C=CCCS(=O)(=O)N[C@@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000541190647 566703489 /nfs/dbraw/zinc/70/34/89/566703489.db2.gz TXSCDHXIGHIMAC-NVXWUHKLSA-N 0 0 388.892 3.025 10 30 GGEERN C=CCN(Cc1cccs1)C(=O)[C@H](C)S(=O)(=O)c1ccccc1OC ZINC000468476897 566703786 /nfs/dbraw/zinc/70/37/86/566703786.db2.gz WGJAKFXUETYFOV-AWEZNQCLSA-N 0 0 379.503 3.134 10 30 GGEERN CCN(C[C@H](C)C#N)S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000561480065 566709474 /nfs/dbraw/zinc/70/94/74/566709474.db2.gz RJEZOTZVRNFGAN-LLVKDONJSA-N 0 0 382.283 3.168 10 30 GGEERN COc1ccc(Cn2cnc3cc(F)c(Br)cc3c2=O)cc1C#N ZINC000541286617 566710780 /nfs/dbraw/zinc/71/07/80/566710780.db2.gz OTONFWUTHPWOQJ-UHFFFAOYSA-N 0 0 388.196 3.227 10 30 GGEERN N#CC1(NC(=O)CCOc2cccc(I)c2)CCCC1 ZINC000426482094 566714371 /nfs/dbraw/zinc/71/43/71/566714371.db2.gz JQDIDPSETOFEIL-UHFFFAOYSA-N 0 0 384.217 3.013 10 30 GGEERN C[C@H]1CN(CC(F)(F)F)CCN(c2ncc(Br)cc2C#N)C1 ZINC000450871385 566715276 /nfs/dbraw/zinc/71/52/76/566715276.db2.gz NGESGFJNDAAVDF-JTQLQIEISA-N 0 0 377.208 3.036 10 30 GGEERN C[C@H](C#N)CN(C1CC1)S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000561539182 566717343 /nfs/dbraw/zinc/71/73/43/566717343.db2.gz WQGAHZDDUNAWHV-LLVKDONJSA-N 0 0 394.294 3.310 10 30 GGEERN N#Cc1cc(I)c(OCC2(C#N)CCC2)c([N+](=O)[O-])c1 ZINC000450894754 566717760 /nfs/dbraw/zinc/71/77/60/566717760.db2.gz VZCNSUNDDDPGOV-UHFFFAOYSA-N 0 0 383.145 3.144 10 30 GGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCc1csc(CC)n1 ZINC000561625193 566724512 /nfs/dbraw/zinc/72/45/12/566724512.db2.gz BJPGOTWXJZUQHN-UHFFFAOYSA-N 0 0 383.926 3.251 10 30 GGEERN CN(C)[C@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1Cl ZINC000515731742 566730183 /nfs/dbraw/zinc/73/01/83/566730183.db2.gz PZFCOTNHFLHWGH-QGZVFWFLSA-N 0 0 398.315 3.446 10 30 GGEERN CNC(=O)CC1CCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000515760434 566732623 /nfs/dbraw/zinc/73/26/23/566732623.db2.gz ZQJRYPVCPRQECW-UHFFFAOYSA-N 0 0 387.281 3.221 10 30 GGEERN O=C(NCC[C@@H](O)C(F)(F)F)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000515819050 566733740 /nfs/dbraw/zinc/73/37/40/566733740.db2.gz ANYNXIMVPBEQPN-GHMZBOCLSA-N 0 0 376.272 3.432 10 30 GGEERN CCn1cc(Br)c(=O)c(NC(=O)c2ccc(C3(C#N)CC3)cc2)c1 ZINC000541596548 566736290 /nfs/dbraw/zinc/73/62/90/566736290.db2.gz CSPZWPQYYSVGEO-UHFFFAOYSA-N 0 0 386.249 3.438 10 30 GGEERN C=CCCCN(C)C(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000426902700 566737700 /nfs/dbraw/zinc/73/77/00/566737700.db2.gz IHTMTMDVKMLEAZ-MRXNPFEDSA-N 0 0 379.298 3.365 10 30 GGEERN N#Cc1cc(S(=O)(=O)N[C@H]2CCc3c2cccc3Br)ccc1F ZINC000488647458 566738244 /nfs/dbraw/zinc/73/82/44/566738244.db2.gz RYXYZEFQVNCTHV-INIZCTEOSA-N 0 0 395.253 3.426 10 30 GGEERN N#Cc1ccc(N[C@@H]2CN(c3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-] ZINC000488714568 566742224 /nfs/dbraw/zinc/74/22/24/566742224.db2.gz NNFFVDVFVFWCCI-CQSZACIVSA-N 0 0 387.193 3.056 10 30 GGEERN N#Cc1ccc(N[C@H]2CN(c3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-] ZINC000488714567 566743153 /nfs/dbraw/zinc/74/31/53/566743153.db2.gz NNFFVDVFVFWCCI-AWEZNQCLSA-N 0 0 387.193 3.056 10 30 GGEERN COc1cc(Br)ccc1[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000468933776 566745698 /nfs/dbraw/zinc/74/56/98/566745698.db2.gz LOLVMICMTNEMCG-NSHDSACASA-N 0 0 395.278 3.369 10 30 GGEERN COc1ccc2c(c1)CCCN(S(=O)(=O)c1ccc(Cl)c(C#N)c1)C2 ZINC000609134771 566751166 /nfs/dbraw/zinc/75/11/66/566751166.db2.gz SYOCENHQFGZWLP-UHFFFAOYSA-N 0 0 376.865 3.357 10 30 GGEERN C=C[C@@H]1CCCCN1C(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000488858103 566752788 /nfs/dbraw/zinc/75/27/88/566752788.db2.gz CVDRGJNLTORFPS-CQSZACIVSA-N 0 0 393.281 3.132 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCc2ccc(F)cc2C(F)(F)F)ccc1F ZINC000488857642 566752875 /nfs/dbraw/zinc/75/28/75/566752875.db2.gz MOHDBVGVVAHSQL-UHFFFAOYSA-N 0 0 376.306 3.334 10 30 GGEERN C=C[C@H]1CCCCN1C(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000488858096 566752970 /nfs/dbraw/zinc/75/29/70/566752970.db2.gz CVDRGJNLTORFPS-AWEZNQCLSA-N 0 0 393.281 3.132 10 30 GGEERN C=CCN(C(=O)c1oc2ccccc2c1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000630795482 566753343 /nfs/dbraw/zinc/75/33/43/566753343.db2.gz DUPDPUBZXZTKDG-LLVKDONJSA-N 0 0 398.278 3.011 10 30 GGEERN Cc1ncc(S(=O)(=O)N(c2ccc(Br)cc2)C2CC2)cc1C#N ZINC000451092356 566754017 /nfs/dbraw/zinc/75/40/17/566754017.db2.gz XYRQUGXOINHBEJ-UHFFFAOYSA-N 0 0 392.278 3.382 10 30 GGEERN CC(C)N(CCC#N)C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000516255174 566755268 /nfs/dbraw/zinc/75/52/68/566755268.db2.gz GFFKQDSVMAQTOK-ZDUSSCGKSA-N 0 0 375.778 3.210 10 30 GGEERN CCN(CC)[C@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)c1ccsc1 ZINC000488884604 566755331 /nfs/dbraw/zinc/75/53/31/566755331.db2.gz KBCLYNOFMVDDSY-QGZVFWFLSA-N 0 0 381.498 3.120 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCCO[C@H](c3ccccc3)C2)ccc1Cl ZINC000609234302 566755460 /nfs/dbraw/zinc/75/54/60/566755460.db2.gz SDSQVBHNTVXSJK-SFHVURJKSA-N 0 0 376.865 3.364 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@@H](c2cccc(Cl)c2)c2ccccn2)CCC1 ZINC000561990421 566755584 /nfs/dbraw/zinc/75/55/84/566755584.db2.gz LXRJSWKKSOXTEL-KRWDZBQOSA-N 0 0 375.881 3.438 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCc2ccc(F)cc2Br)ccc1F ZINC000488938842 566758793 /nfs/dbraw/zinc/75/87/93/566758793.db2.gz HCGPCTYLGSMPSP-UHFFFAOYSA-N 0 0 387.205 3.077 10 30 GGEERN C=C1CC(C)(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)C1 ZINC000630885808 566760920 /nfs/dbraw/zinc/76/09/20/566760920.db2.gz VYGGUWSURGPKPK-UHFFFAOYSA-N 0 0 377.282 3.090 10 30 GGEERN N#Cc1ccc(-c2csc(NC(=O)Cn3cc(Br)cn3)n2)cc1 ZINC000516464378 566762766 /nfs/dbraw/zinc/76/27/66/566762766.db2.gz BWPZMXFXBVFIDO-UHFFFAOYSA-N 0 0 388.250 3.279 10 30 GGEERN CN(CCCOc1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000489004060 566763194 /nfs/dbraw/zinc/76/31/94/566763194.db2.gz WARBLHVBMXYLAF-UHFFFAOYSA-N 0 0 382.844 3.440 10 30 GGEERN C[C@@](O)(CNC(=O)COc1cccc(Br)c1C#N)C1CCCCC1 ZINC000451130445 566764723 /nfs/dbraw/zinc/76/47/23/566764723.db2.gz PJIBSECGTRGLER-GOSISDBHSA-N 0 0 395.297 3.147 10 30 GGEERN C[C@](O)(CNC(=O)COc1ccc(C#N)c(Br)c1)C1CCCCC1 ZINC000451131351 566764816 /nfs/dbraw/zinc/76/48/16/566764816.db2.gz SLIJHCKZBAFMFG-SFHVURJKSA-N 0 0 395.297 3.147 10 30 GGEERN N#Cc1cccc(-c2nnc(CN[C@H](CO)c3cccc(Br)c3)o2)c1 ZINC000541983380 566765721 /nfs/dbraw/zinc/76/57/21/566765721.db2.gz JCXXYTGEVPAFSM-MRXNPFEDSA-N 0 0 399.248 3.194 10 30 GGEERN CC(C)(CNS(=O)(=O)CC1(C#N)CCC1)c1cccc(Br)c1 ZINC000516514501 566765899 /nfs/dbraw/zinc/76/58/99/566765899.db2.gz WPHNWKWYAWYZIL-UHFFFAOYSA-N 0 0 385.327 3.340 10 30 GGEERN Cc1ncc(S(=O)(=O)NCCCCOc2ccc(Cl)cc2)cc1C#N ZINC000489080344 566768168 /nfs/dbraw/zinc/76/81/68/566768168.db2.gz UOFXGTGPRKIQJH-UHFFFAOYSA-N 0 0 379.869 3.053 10 30 GGEERN CCOC(=O)C1(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)CCOCC1 ZINC000581362320 566769941 /nfs/dbraw/zinc/76/99/41/566769941.db2.gz KNEYKRTWCUEBGQ-CYBMUJFWSA-N 0 0 385.247 3.034 10 30 GGEERN N#Cc1csc(CN2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)n1 ZINC000562200187 566770832 /nfs/dbraw/zinc/77/08/32/566770832.db2.gz PETJWTSTPJDPMP-UHFFFAOYSA-N 0 0 376.869 3.224 10 30 GGEERN Cc1ncc(S(=O)(=O)NCc2nc3cc(Cl)ccc3s2)cc1C#N ZINC000489117209 566770970 /nfs/dbraw/zinc/77/09/70/566770970.db2.gz NXQDJPVJOKWQBC-UHFFFAOYSA-N 0 0 378.866 3.003 10 30 GGEERN C=CCn1c(SCC(=O)N(CC)CC(F)(F)F)nc2sccc2c1=O ZINC000631004729 566770858 /nfs/dbraw/zinc/77/08/58/566770858.db2.gz YNENCYRUBKBYOQ-UHFFFAOYSA-N 0 0 391.440 3.147 10 30 GGEERN N#Cc1cccc(N2CCN(C(=O)Cc3cccc(Cl)c3Cl)CC2)n1 ZINC000469195802 566771062 /nfs/dbraw/zinc/77/10/62/566771062.db2.gz IYYYJGWMUYZSFM-UHFFFAOYSA-N 0 0 375.259 3.151 10 30 GGEERN Cc1ncc(S(=O)(=O)N(C)CCCOc2ccc(Cl)cc2)cc1C#N ZINC000489111830 566771174 /nfs/dbraw/zinc/77/11/74/566771174.db2.gz BKMRDAPEWJQZKP-UHFFFAOYSA-N 0 0 379.869 3.005 10 30 GGEERN C[S@](=O)c1ccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1 ZINC000609588720 566771385 /nfs/dbraw/zinc/77/13/85/566771385.db2.gz HBPRWCZTGTYWSN-QRQCRPRQSA-N 0 0 377.263 3.181 10 30 GGEERN C[S@@](=O)c1ccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1 ZINC000609588717 566771561 /nfs/dbraw/zinc/77/15/61/566771561.db2.gz HBPRWCZTGTYWSN-IVZQSRNASA-N 0 0 377.263 3.181 10 30 GGEERN N#C[C@H](NC(=O)C[C@H]1C(=O)Nc2ccccc21)c1ccc(Br)cc1 ZINC000609588603 566771717 /nfs/dbraw/zinc/77/17/17/566771717.db2.gz DJDIBAXDVLMVMQ-ZBFHGGJFSA-N 0 0 384.233 3.256 10 30 GGEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C#N)c1ccccc1Br ZINC000609590018 566772746 /nfs/dbraw/zinc/77/27/46/566772746.db2.gz AILZKKLMXQXWER-BLLLJJGKSA-N 0 0 384.233 3.469 10 30 GGEERN Cc1c(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cnn1-c1ccccn1 ZINC000609589058 566772777 /nfs/dbraw/zinc/77/27/77/566772777.db2.gz ONNVSULRDHEUSQ-MRXNPFEDSA-N 0 0 396.248 3.333 10 30 GGEERN Cn1cc(-c2cncc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)c2)cn1 ZINC000609589095 566772853 /nfs/dbraw/zinc/77/28/53/566772853.db2.gz WINBWTWMOADIDH-KRWDZBQOSA-N 0 0 396.248 3.239 10 30 GGEERN CC(C)(C)c1noc(CCC(=O)N[C@H](C#N)c2ccccc2Br)n1 ZINC000609589880 566772979 /nfs/dbraw/zinc/77/29/79/566772979.db2.gz QBIWOIWUHZGGKX-CYBMUJFWSA-N 0 0 391.269 3.443 10 30 GGEERN N#Cc1cc(-c2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)ccn1 ZINC000581394870 566773410 /nfs/dbraw/zinc/77/34/10/566773410.db2.gz DUCVOXBGTFETQF-UHFFFAOYSA-N 0 0 399.204 3.128 10 30 GGEERN COc1cc(CNC(=O)NCc2ccc(F)cc2Br)ccc1C#N ZINC000562241690 566773745 /nfs/dbraw/zinc/77/37/45/566773745.db2.gz CXPAECLOQVAJBS-UHFFFAOYSA-N 0 0 392.228 3.468 10 30 GGEERN CC(=O)NCc1ccc(C(=O)N[C@H](C#N)c2ccccc2Br)s1 ZINC000609591987 566774372 /nfs/dbraw/zinc/77/43/72/566774372.db2.gz UJIUHIBHFQKGFI-CQSZACIVSA-N 0 0 392.278 3.141 10 30 GGEERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C#N)c1ccccc1Br ZINC000609593689 566775013 /nfs/dbraw/zinc/77/50/13/566775013.db2.gz ZYPQVKLUUGFKNR-CQSZACIVSA-N 0 0 375.182 3.055 10 30 GGEERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C#N)c1ccccc1Br ZINC000609593688 566775177 /nfs/dbraw/zinc/77/51/77/566775177.db2.gz ZYPQVKLUUGFKNR-AWEZNQCLSA-N 0 0 375.182 3.055 10 30 GGEERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000427514924 566776940 /nfs/dbraw/zinc/77/69/40/566776940.db2.gz QGVTWDQJVCGZOG-CQSZACIVSA-N 0 0 390.193 3.361 10 30 GGEERN CCN(Cc1cccc(Br)c1)S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000489238348 566777152 /nfs/dbraw/zinc/77/71/52/566777152.db2.gz VJSPKXWVMQOSFU-UHFFFAOYSA-N 0 0 394.294 3.235 10 30 GGEERN CO[C@H](CCNS(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000469285406 566779228 /nfs/dbraw/zinc/77/92/28/566779228.db2.gz PWMNCGYFJLLTHL-SNVBAGLBSA-N 0 0 383.285 3.090 10 30 GGEERN COC(=O)c1cc(NC(=O)Cc2cccc(C#N)c2)cc(Br)c1F ZINC000562302030 566779804 /nfs/dbraw/zinc/77/98/04/566779804.db2.gz GZELDMVYVQHVST-UHFFFAOYSA-N 0 0 391.196 3.428 10 30 GGEERN CC(C)(C#N)NC(=O)c1cc(Br)cc(I)c1 ZINC000581840196 566808699 /nfs/dbraw/zinc/80/86/99/566808699.db2.gz MRPZEVBJOQDFIZ-UHFFFAOYSA-N 0 0 393.022 3.086 10 30 GGEERN CO[C@H](CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000469315675 566780796 /nfs/dbraw/zinc/78/07/96/566780796.db2.gz YYFVWZBLFYUNPQ-SNVBAGLBSA-N 0 0 383.285 3.090 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000581485131 566782166 /nfs/dbraw/zinc/78/21/66/566782166.db2.gz UTIGUCCHHVAWNY-BHYGNILZSA-N 0 0 395.297 3.123 10 30 GGEERN COc1ccc(CCNS(=O)(=O)Cc2ccc(CC#N)cc2)c(Cl)c1 ZINC000516765903 566782383 /nfs/dbraw/zinc/78/23/83/566782383.db2.gz HNULZJYENYAWCI-UHFFFAOYSA-N 0 0 378.881 3.077 10 30 GGEERN CO[C@@H](CCNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000469335431 566783154 /nfs/dbraw/zinc/78/31/54/566783154.db2.gz PYPAILUMXMRQES-JTQLQIEISA-N 0 0 383.285 3.090 10 30 GGEERN Cn1c(C#N)ccc1C(=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC000451289145 566789847 /nfs/dbraw/zinc/78/98/47/566789847.db2.gz JFLPTLFYRWKJNU-UHFFFAOYSA-N 0 0 387.281 3.376 10 30 GGEERN N#Cc1cc(NCCNC(=O)c2ccc(Br)cc2)nc2ccccc12 ZINC000609892583 566792834 /nfs/dbraw/zinc/79/28/34/566792834.db2.gz GPWCMDYLCFUXTJ-UHFFFAOYSA-N 0 0 395.260 3.133 10 30 GGEERN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000609899161 566794367 /nfs/dbraw/zinc/79/43/67/566794367.db2.gz DETUDAXGLLESLG-GTNSWQLSSA-N 0 0 382.844 3.405 10 30 GGEERN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000609899163 566794520 /nfs/dbraw/zinc/79/45/20/566794520.db2.gz DETUDAXGLLESLG-PIGZYNQJSA-N 0 0 382.844 3.405 10 30 GGEERN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)COc1cccc(Br)c1C#N ZINC000451331499 566798011 /nfs/dbraw/zinc/79/80/11/566798011.db2.gz NXRNCDUMRAJPGK-ONGXEEELSA-N 0 0 391.187 3.499 10 30 GGEERN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NC[C@@H]2CCCCS2)n1 ZINC000542382383 566797380 /nfs/dbraw/zinc/79/73/80/566797380.db2.gz GZAJOZPBBGFHKA-AWEZNQCLSA-N 0 0 375.885 3.226 10 30 GGEERN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NC[C@H]2CCCCS2)n1 ZINC000542382384 566797408 /nfs/dbraw/zinc/79/74/08/566797408.db2.gz GZAJOZPBBGFHKA-CQSZACIVSA-N 0 0 375.885 3.226 10 30 GGEERN N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCCC(F)(F)C2)cc1Br ZINC000451334827 566799224 /nfs/dbraw/zinc/79/92/24/566799224.db2.gz UAYODNFCTSXTAF-SECBINFHSA-N 0 0 397.216 3.316 10 30 GGEERN C=CCCCS(=O)(=O)N[C@H]1CCN(CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000489648912 566800983 /nfs/dbraw/zinc/80/09/83/566800983.db2.gz QSYHCAQNSGXRLO-DOTOQJQBSA-N 0 0 376.444 3.125 10 30 GGEERN N#Cc1c(NC(=O)[C@@H]2CCc3cc(Br)ccc32)nc2n1CCS2 ZINC000517031625 566801611 /nfs/dbraw/zinc/80/16/11/566801611.db2.gz QRVKJGIXFLBHKY-GFCCVEGCSA-N 0 0 389.278 3.291 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000469594846 566802495 /nfs/dbraw/zinc/80/24/95/566802495.db2.gz MEXZJWVYLCGQTF-QZTJIDSGSA-N 0 0 393.325 3.075 10 30 GGEERN C=CCCCS(=O)(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000489696495 566803416 /nfs/dbraw/zinc/80/34/16/566803416.db2.gz OFBDLAUOKOBHKP-UHFFFAOYSA-N 0 0 384.548 3.017 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCc2ccccc2OCC2CC2)ccc1Cl ZINC000610086275 566804681 /nfs/dbraw/zinc/80/46/81/566804681.db2.gz MMUWOMKEOIKNSJ-UHFFFAOYSA-N 0 0 376.865 3.479 10 30 GGEERN C[C@@H](Cc1ccc(Br)cc1)NS(=O)(=O)c1ccc(C#N)cc1F ZINC000610082857 566804785 /nfs/dbraw/zinc/80/47/85/566804785.db2.gz MJPCWGSVMFTOBC-NSHDSACASA-N 0 0 397.269 3.369 10 30 GGEERN N#Cc1cnc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)c(Cl)c1 ZINC000427926098 566805281 /nfs/dbraw/zinc/80/52/81/566805281.db2.gz WIAFKVBTHMGABW-UHFFFAOYSA-N 0 0 381.288 3.280 10 30 GGEERN Cc1cc(Br)cc2c1CN(S(=O)(=O)CC(C)(C)CC#N)CC2 ZINC000451369468 566805679 /nfs/dbraw/zinc/80/56/79/566805679.db2.gz AYFZQWZYOUAXHL-UHFFFAOYSA-N 0 0 385.327 3.385 10 30 GGEERN Cc1nc(NC(=O)c2cc(Cl)sc2Cl)n(-c2ccc(C#N)cc2)n1 ZINC000610112574 566805821 /nfs/dbraw/zinc/80/58/21/566805821.db2.gz RKJBIOAVPVKTHI-UHFFFAOYSA-N 0 0 378.244 3.490 10 30 GGEERN Cc1ncc(S(=O)(=O)N2CCc3c(Cl)cc(Cl)cc3C2)cc1C#N ZINC000489724459 566806993 /nfs/dbraw/zinc/80/69/93/566806993.db2.gz LTCMFGSFBUFFAP-UHFFFAOYSA-N 0 0 382.272 3.316 10 30 GGEERN C=CCCC[C@@H](C)NS(=O)(=O)c1cnc(C(F)F)c(C(=O)OCC)c1 ZINC000451372700 566807204 /nfs/dbraw/zinc/80/72/04/566807204.db2.gz YOBZUKONXKROFT-LLVKDONJSA-N 0 0 376.425 3.219 10 30 GGEERN C=CCCC[C@H](C)NS(=O)(=O)c1cnc(C(F)F)c(C(=O)OCC)c1 ZINC000451372701 566807230 /nfs/dbraw/zinc/80/72/30/566807230.db2.gz YOBZUKONXKROFT-NSHDSACASA-N 0 0 376.425 3.219 10 30 GGEERN C[C@@H](C#N)CN(C(=O)CCOc1ccccc1I)C1CC1 ZINC000469691158 566807684 /nfs/dbraw/zinc/80/76/84/566807684.db2.gz QEMWZDBIIWQKGM-LBPRGKRZSA-N 0 0 398.244 3.211 10 30 GGEERN COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)c1c[nH]c(C#N)c1 ZINC000489762517 566808347 /nfs/dbraw/zinc/80/83/47/566808347.db2.gz ACWJSMCJQLABIF-UHFFFAOYSA-N 0 0 380.231 3.051 10 30 GGEERN Cc1cc(C#N)ccc1S(=O)(=O)NCc1cc(F)cc(Br)c1 ZINC000610134664 566808944 /nfs/dbraw/zinc/80/89/44/566808944.db2.gz HXFQOAYDBMIFCE-UHFFFAOYSA-N 0 0 383.242 3.247 10 30 GGEERN C=CCOC[C@@H](NC(=O)c1ccc2scc(Br)c2c1)C(=O)OC ZINC000451385975 566809416 /nfs/dbraw/zinc/80/94/16/566809416.db2.gz UUQHETRQEAWMFO-CYBMUJFWSA-N 0 0 398.278 3.138 10 30 GGEERN C=CCC(C)(C)CNC(=O)c1sccc1S(=O)(=O)NCc1ccco1 ZINC000489793645 566809377 /nfs/dbraw/zinc/80/93/77/566809377.db2.gz CTWLRJFWIMTYPD-UHFFFAOYSA-N 0 0 382.507 3.152 10 30 GGEERN Cc1nn(C)c(C)c1[C@H](NCCOCC(F)(F)C(F)(F)F)C(F)(F)F ZINC000469720748 566809524 /nfs/dbraw/zinc/80/95/24/566809524.db2.gz ONWFJONCFNNFST-JTQLQIEISA-N 0 0 383.283 3.444 10 30 GGEERN N#Cc1cc(N2CC[C@H](Cc3cccc(I)c3)C2)ncn1 ZINC000581865573 566809749 /nfs/dbraw/zinc/80/97/49/566809749.db2.gz ZNWBQHYVQQUBAV-CYBMUJFWSA-N 0 0 390.228 3.022 10 30 GGEERN N#Cc1ccc(C(=O)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)o1 ZINC000428051940 566812511 /nfs/dbraw/zinc/81/25/11/566812511.db2.gz GOFPDZMFNQVACV-UHFFFAOYSA-N 0 0 378.215 3.056 10 30 GGEERN C=CCCCS(=O)(=O)NCc1ccc(I)cc1Cl ZINC000489822032 566812441 /nfs/dbraw/zinc/81/24/41/566812441.db2.gz SFRGTOSZHMMBJU-UHFFFAOYSA-N 0 0 399.681 3.330 10 30 GGEERN N#Cc1ccc(NC(=O)N[C@@H](CO)c2cccc(Br)c2)cc1F ZINC000517264950 566816344 /nfs/dbraw/zinc/81/63/44/566816344.db2.gz DVQMOVNNDPSHGE-HNNXBMFYSA-N 0 0 378.201 3.315 10 30 GGEERN C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)Cc1cccc(Br)c1C ZINC000655582521 566816736 /nfs/dbraw/zinc/81/67/36/566816736.db2.gz XYDGDCYSQWABBP-CZUORRHYSA-N 0 0 388.327 3.158 10 30 GGEERN C=CCC(C)(C)CNC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C ZINC000489957373 566818551 /nfs/dbraw/zinc/81/85/51/566818551.db2.gz OZCSKTHUGLTILH-UHFFFAOYSA-N 0 0 388.327 3.493 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)c(F)c1 ZINC000610269318 566819692 /nfs/dbraw/zinc/81/96/92/566819692.db2.gz QEPTUJIQVYLKGD-GFCCVEGCSA-N 0 0 387.219 3.416 10 30 GGEERN N#Cc1c(Br)cccc1OCC(=O)NCC1CCC(C#N)CC1 ZINC000451450207 566820317 /nfs/dbraw/zinc/82/03/17/566820317.db2.gz YQWSOVGCJBXQMA-UHFFFAOYSA-N 0 0 376.254 3.146 10 30 GGEERN N#Cc1cnc(CSCc2cc3c(cc2Br)OCCO3)nc1 ZINC000517342551 566820324 /nfs/dbraw/zinc/82/03/24/566820324.db2.gz HAZCDTHIMGGRBY-UHFFFAOYSA-N 0 0 378.251 3.315 10 30 GGEERN N#Cc1cc(Cl)cc(Br)c1N1CCN(C[C@@H]2CCOC2)CC1 ZINC000562777913 566822135 /nfs/dbraw/zinc/82/21/35/566822135.db2.gz AWONFCHGVBVZOX-LBPRGKRZSA-N 0 0 384.705 3.133 10 30 GGEERN C=CCn1c(-c2cc(F)ccc2Br)nnc1N(C[C@@H](C)O)C1CC1 ZINC000655616510 566822889 /nfs/dbraw/zinc/82/28/89/566822889.db2.gz RFPCAUQQPHEFPP-LLVKDONJSA-N 0 0 395.276 3.382 10 30 GGEERN C[C@@H]1CC2(CCC2)CN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451468954 566823133 /nfs/dbraw/zinc/82/31/33/566823133.db2.gz VITDKQBGXZODCS-SNVBAGLBSA-N 0 0 387.274 3.413 10 30 GGEERN COc1ccc(Br)cc1S(=O)(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000610338562 566825287 /nfs/dbraw/zinc/82/52/87/566825287.db2.gz GVWLBUBREHUOEV-LLVKDONJSA-N 0 0 395.278 3.369 10 30 GGEERN N#Cc1ccc(CCC(=O)Nc2cc(I)ccc2O)cc1 ZINC000610485764 566834898 /nfs/dbraw/zinc/83/48/98/566834898.db2.gz DWTRUEJBCLMMHU-UHFFFAOYSA-N 0 0 392.196 3.440 10 30 GGEERN N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000517631793 566836364 /nfs/dbraw/zinc/83/63/64/566836364.db2.gz VJTUSVQOANWKMK-PBHICJAKSA-N 0 0 376.865 3.410 10 30 GGEERN O=S(=O)(C[C@H]1CCC1(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000631984641 566837995 /nfs/dbraw/zinc/83/79/95/566837995.db2.gz OXJRVLUQCJIIQB-SSDOTTSWSA-N 0 0 375.281 3.178 10 30 GGEERN COc1cc(CNS(=O)(=O)C2CCC(C(F)(F)F)CC2)ccc1C#N ZINC000451564068 566839379 /nfs/dbraw/zinc/83/93/79/566839379.db2.gz FPPXPDKJIVQJKN-UHFFFAOYSA-N 0 0 376.400 3.107 10 30 GGEERN C[C@]1(CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCCS1 ZINC000542956799 566840985 /nfs/dbraw/zinc/84/09/85/566840985.db2.gz XECDBKXYIYBOCI-QGZVFWFLSA-N 0 0 375.885 3.226 10 30 GGEERN C[C@H](C#N)CN(C1CC1)S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428411455 566841724 /nfs/dbraw/zinc/84/17/24/566841724.db2.gz DSTFKLQDUPIYTG-SECBINFHSA-N 0 0 377.691 3.415 10 30 GGEERN C[C@@]1(CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCCS1 ZINC000542956798 566841913 /nfs/dbraw/zinc/84/19/13/566841913.db2.gz XECDBKXYIYBOCI-KRWDZBQOSA-N 0 0 375.885 3.226 10 30 GGEERN Cc1cc(C(=O)N[C@]2(C#N)CCSC2)nn1-c1ccc(Br)cc1 ZINC000610572335 566843721 /nfs/dbraw/zinc/84/37/21/566843721.db2.gz JJWDKNFDLLMGQD-INIZCTEOSA-N 0 0 391.294 3.072 10 30 GGEERN C=CCC[C@@H](NC(=O)CC1CS(=O)(=O)C1)c1ccc(C(F)(F)F)cc1 ZINC000632048400 566845209 /nfs/dbraw/zinc/84/52/09/566845209.db2.gz JAYKDYAJPWGQEM-OAHLLOKOSA-N 0 0 375.412 3.264 10 30 GGEERN Cn1cc(C#N)cc1C(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000610578530 566845333 /nfs/dbraw/zinc/84/53/33/566845333.db2.gz JBJVUSJFFOJERK-UHFFFAOYSA-N 0 0 383.249 3.339 10 30 GGEERN Cn1cc(C#N)cc1C(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000610578774 566845677 /nfs/dbraw/zinc/84/56/77/566845677.db2.gz IDLASQGSNFXRMO-UHFFFAOYSA-N 0 0 383.249 3.339 10 30 GGEERN C[C@@H]1CN(C(=O)c2ccc(Br)cc2C#N)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000451595643 566847289 /nfs/dbraw/zinc/84/72/89/566847289.db2.gz KKNPHVRNYRXPOW-VFVRVIDISA-N 0 0 393.281 3.119 10 30 GGEERN CC(C)[C@@H](Sc1cccc(Cl)c1C#N)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000543030847 566847438 /nfs/dbraw/zinc/84/74/38/566847438.db2.gz KXWOIYXSWAIOID-BLLLJJGKSA-N 0 0 379.913 3.052 10 30 GGEERN CC(F)(F)CCCNS(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451606462 566848500 /nfs/dbraw/zinc/84/85/00/566848500.db2.gz IMAKJDWDKNOTQP-UHFFFAOYSA-N 0 0 385.205 3.174 10 30 GGEERN CC(C)(C)c1csc(CCNS(=O)(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC000517870952 566852345 /nfs/dbraw/zinc/85/23/45/566852345.db2.gz KXAVRWONUGWQMI-UHFFFAOYSA-N 0 0 383.926 3.487 10 30 GGEERN C=CCN1CC[C@H](N(C)C(=O)c2c(Cl)cc(F)cc2Br)C1=O ZINC000451638215 566854791 /nfs/dbraw/zinc/85/47/91/566854791.db2.gz ZPKCNNDOHZJOPO-LBPRGKRZSA-N 0 0 389.652 3.101 10 30 GGEERN N#CC1CCC(CNC(=O)c2cccnc2-n2cc(Br)cn2)CC1 ZINC000451646115 566855726 /nfs/dbraw/zinc/85/57/26/566855726.db2.gz HMIHUSOTSAKFDK-UHFFFAOYSA-N 0 0 388.269 3.090 10 30 GGEERN CC(C)(CCC#N)CNC(=O)c1[nH]nc2ccc(I)cc21 ZINC000582380208 566856268 /nfs/dbraw/zinc/85/62/68/566856268.db2.gz SSDWROWKHFLKTL-UHFFFAOYSA-N 0 0 396.232 3.227 10 30 GGEERN C=CCn1c([C@@H](C)OCCOC)nnc1N1CCc2sc(Cl)cc2C1 ZINC000563124097 566856922 /nfs/dbraw/zinc/85/69/22/566856922.db2.gz FIPJLDIHZGMDNX-GFCCVEGCSA-N 0 0 382.917 3.466 10 30 GGEERN Cc1cc(NC(=O)Nc2cc(F)cc(Br)c2F)nn1CCC#N ZINC000490485010 566858229 /nfs/dbraw/zinc/85/82/29/566858229.db2.gz CEASFDDUWWFWQA-UHFFFAOYSA-N 0 0 384.184 3.212 10 30 GGEERN C=CCOCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000679493802 566860399 /nfs/dbraw/zinc/86/03/99/566860399.db2.gz FVRAGXWALNHOAU-AWEZNQCLSA-N 0 0 385.291 3.164 10 30 GGEERN N#C[C@H](NC(=O)Cn1cc(-c2ccccc2)nn1)c1ccccc1Br ZINC000610773156 566862388 /nfs/dbraw/zinc/86/23/88/566862388.db2.gz PDCVRDHEKWEKNQ-INIZCTEOSA-N 0 0 396.248 3.089 10 30 GGEERN C=CCOCCNC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000679565301 566862582 /nfs/dbraw/zinc/86/25/82/566862582.db2.gz GXTAIBQCAVBUDF-UHFFFAOYSA-N 0 0 393.241 3.356 10 30 GGEERN C=CCOCCNC(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000679563443 566863239 /nfs/dbraw/zinc/86/32/39/566863239.db2.gz YZVRSHSVPGHVIU-UHFFFAOYSA-N 0 0 398.179 3.109 10 30 GGEERN C=CCOCCNC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000679578582 566864309 /nfs/dbraw/zinc/86/43/09/566864309.db2.gz MSSVHLAMUORTEI-UHFFFAOYSA-N 0 0 378.270 3.184 10 30 GGEERN CCOC(=O)c1sc(CNC(=O)Nc2ccc(C#N)cc2Cl)nc1C ZINC000610877206 566872254 /nfs/dbraw/zinc/87/22/54/566872254.db2.gz AHXLBHLAVVRZFS-UHFFFAOYSA-N 0 0 378.841 3.475 10 30 GGEERN N#CC[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000451733771 566872667 /nfs/dbraw/zinc/87/26/67/566872667.db2.gz JDXAVNZFNOAJNE-UWVGGRQHSA-N 0 0 377.691 3.463 10 30 GGEERN N#CC[C@@H]1CC[C@H](NS(=O)(=O)Cc2ccc(Br)c(F)c2)C1 ZINC000451736309 566873158 /nfs/dbraw/zinc/87/31/58/566873158.db2.gz OIULHALWRCVOTJ-JQWIXIFHSA-N 0 0 375.263 3.090 10 30 GGEERN N#Cc1cc(CSCc2cc(=O)n3cc(Br)ccc3n2)ccn1 ZINC000610953980 566877768 /nfs/dbraw/zinc/87/77/68/566877768.db2.gz HEJWZPDULYXAPV-UHFFFAOYSA-N 0 0 387.262 3.157 10 30 GGEERN C=CCCn1cc(CS(=O)(=O)CCCc2ccccc2Br)nn1 ZINC000656176152 566879903 /nfs/dbraw/zinc/87/99/03/566879903.db2.gz KBQBHECTZHCMKO-UHFFFAOYSA-N 0 0 398.326 3.164 10 30 GGEERN C=CCCn1cc(CS(=O)(=O)Cc2csc(-c3ccsc3)n2)nn1 ZINC000656173486 566879919 /nfs/dbraw/zinc/87/99/19/566879919.db2.gz UMRZNNKZUKLTQB-UHFFFAOYSA-N 0 0 380.520 3.154 10 30 GGEERN CC[C@H](NS(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1)[C@H](O)C(F)F ZINC000632391131 566881669 /nfs/dbraw/zinc/88/16/69/566881669.db2.gz SZFMXLJMGYEPOT-UWVGGRQHSA-N 0 0 397.312 3.024 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000632481642 566890377 /nfs/dbraw/zinc/89/03/77/566890377.db2.gz BGPVTSOVJNOLHN-GWCFXTLKSA-N 0 0 385.354 3.210 10 30 GGEERN COc1cc(CNC(=O)Cc2c(F)ccc(Br)c2F)ccc1C#N ZINC000582757055 566890847 /nfs/dbraw/zinc/89/08/47/566890847.db2.gz UFKBBNZEPLJXIZ-UHFFFAOYSA-N 0 0 395.203 3.466 10 30 GGEERN C=CCCCCCNC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000563546047 566893820 /nfs/dbraw/zinc/89/38/20/566893820.db2.gz WKRAREISGQOUTI-UHFFFAOYSA-N 0 0 378.270 3.022 10 30 GGEERN N#Cc1cc(Br)ccc1C(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000451854872 566895628 /nfs/dbraw/zinc/89/56/28/566895628.db2.gz OBDSFOBUWQRMJD-NSHDSACASA-N 0 0 387.237 3.211 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCc2cc(Cl)cc3c2OCC3)ccc1Cl ZINC000543686320 566901597 /nfs/dbraw/zinc/90/15/97/566901597.db2.gz HWCGPMYZTKPSJE-UHFFFAOYSA-N 0 0 383.256 3.278 10 30 GGEERN N#Cc1ccc(N2CCC[C@@H]2c2ccccc2I)nn1 ZINC000611240840 566903717 /nfs/dbraw/zinc/90/37/17/566903717.db2.gz HCKBZLOSSISXOJ-CQSZACIVSA-N 0 0 376.201 3.294 10 30 GGEERN COc1cc(Br)ccc1[C@H](C)NC(=O)Cc1noc(C)c1C#N ZINC000470824325 566906872 /nfs/dbraw/zinc/90/68/72/566906872.db2.gz YHMRIUDRENTGTP-VIFPVBQESA-N 0 0 378.226 3.046 10 30 GGEERN C=CCSCCNC(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000543745320 566907273 /nfs/dbraw/zinc/90/72/73/566907273.db2.gz AHAGQPWDDYFGOE-CYBMUJFWSA-N 0 0 375.416 3.182 10 30 GGEERN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)c2ccc(Cl)s2)n1 ZINC000429077249 566907405 /nfs/dbraw/zinc/90/74/05/566907405.db2.gz PBJSLHDPULTARU-UHFFFAOYSA-N 0 0 391.239 3.356 10 30 GGEERN N#CCn1c(C(=O)N[C@@H](CO)c2cccc(Br)c2)cc2ccccc21 ZINC000611297309 566907561 /nfs/dbraw/zinc/90/75/61/566907561.db2.gz JXSHIRXMPFERLI-INIZCTEOSA-N 0 0 398.260 3.391 10 30 GGEERN Cc1ccc(F)cc1C(=O)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000543798182 566910724 /nfs/dbraw/zinc/91/07/24/566910724.db2.gz ZYRWIONMTFTJBT-HNNXBMFYSA-N 0 0 375.197 3.460 10 30 GGEERN CC(C)[C@H](C#N)N1CCN(C(=O)c2c[nH]c3cccc(Br)c23)CC1 ZINC000611341657 566911122 /nfs/dbraw/zinc/91/11/22/566911122.db2.gz SCUBRWKCBDHRNI-INIZCTEOSA-N 0 0 389.297 3.236 10 30 GGEERN Cn1cc(N2CCN(c3c(Br)cc(Cl)cc3C#N)CC2)cn1 ZINC000429195966 566913735 /nfs/dbraw/zinc/91/37/35/566913735.db2.gz FCPUJHDLKWPHBR-UHFFFAOYSA-N 0 0 380.677 3.034 10 30 GGEERN COC(=O)c1cc(NC(=O)CNc2ccc(C#N)cc2)ccc1Br ZINC000611407332 566917112 /nfs/dbraw/zinc/91/71/12/566917112.db2.gz WDHSRBNIBZGDEV-UHFFFAOYSA-N 0 0 388.221 3.158 10 30 GGEERN C=CCOCCNC(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000680556684 566917665 /nfs/dbraw/zinc/91/76/65/566917665.db2.gz OIXJCTMMNOTWQH-UHFFFAOYSA-N 0 0 383.286 3.205 10 30 GGEERN C=C1CC(C)(C(=O)N(CCNC(C)=O)Cc2ccc(Br)s2)C1 ZINC000632887939 566921998 /nfs/dbraw/zinc/92/19/98/566921998.db2.gz BECUDSGWGMZFCP-UHFFFAOYSA-N 0 0 385.327 3.332 10 30 GGEERN N#Cc1ccc(Cn2cc(C(N)=O)c(-c3ccccc3)n2)c(Br)c1 ZINC000611492128 566921908 /nfs/dbraw/zinc/92/19/08/566921908.db2.gz DUXXQMXYBQRLTI-UHFFFAOYSA-N 0 0 381.233 3.331 10 30 GGEERN N#CC1CCC(CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 ZINC000563856981 566923226 /nfs/dbraw/zinc/92/32/26/566923226.db2.gz SIAKIIPEUCERQX-UHFFFAOYSA-N 0 0 388.265 3.350 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCc1nnc(C2CCC2)n1C ZINC000543947417 566924684 /nfs/dbraw/zinc/92/46/84/566924684.db2.gz DLDCNTBBEBXSMK-UHFFFAOYSA-N 0 0 377.242 3.304 10 30 GGEERN Cc1onc(CC(=O)NCc2cc3cccnc3cc2Br)c1C#N ZINC000611528830 566925471 /nfs/dbraw/zinc/92/54/71/566925471.db2.gz LUYNXQSWLQSALY-UHFFFAOYSA-N 0 0 385.221 3.024 10 30 GGEERN CCNc1ccc(C#N)cc1NC(=O)c1cnn2cc(Br)cnc12 ZINC000583220485 566929929 /nfs/dbraw/zinc/92/99/29/566929929.db2.gz RCASCZQZROJXCP-UHFFFAOYSA-N 0 0 385.225 3.048 10 30 GGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1c(C)c(Br)c[nH]c1=O ZINC000633028778 566930824 /nfs/dbraw/zinc/93/08/24/566930824.db2.gz WPKLXCDVGMCUMH-UHFFFAOYSA-N 0 0 395.253 3.162 10 30 GGEERN C=CC[C@@H](CC)NC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000544039959 566931793 /nfs/dbraw/zinc/93/17/93/566931793.db2.gz SEPOORBHJXJHBS-CYBMUJFWSA-N 0 0 378.274 3.388 10 30 GGEERN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cscc2C#N)c1 ZINC000492305665 566932253 /nfs/dbraw/zinc/93/22/53/566932253.db2.gz VCNHUSPOHIJNGE-LBPRGKRZSA-N 0 0 377.491 3.090 10 30 GGEERN Cc1cc(Br)cc(C)c1NC(=O)CCCN1CCO[C@H](C#N)C1 ZINC000611660603 566932501 /nfs/dbraw/zinc/93/25/01/566932501.db2.gz DSWPQOABTUAUKV-OAHLLOKOSA-N 0 0 380.286 3.009 10 30 GGEERN Cc1cc(Br)cc(C)c1NC(=O)CCCN1CCOC[C@@H]1C#N ZINC000611668266 566933020 /nfs/dbraw/zinc/93/30/20/566933020.db2.gz GGGXUTTUZFZDQX-HNNXBMFYSA-N 0 0 380.286 3.009 10 30 GGEERN O=C(NCC#Cc1ccccc1)c1c(F)cccc1I ZINC000471151982 566933328 /nfs/dbraw/zinc/93/33/28/566933328.db2.gz PXSKKYGFRALHRB-UHFFFAOYSA-N 0 0 379.172 3.212 10 30 GGEERN N#Cc1cc(S(=O)(=O)N[C@H](c2cccs2)C2(CO)CCC2)ccc1Cl ZINC000452096797 566935844 /nfs/dbraw/zinc/93/58/44/566935844.db2.gz XRCSALACGJPXHV-MRXNPFEDSA-N 0 0 396.921 3.455 10 30 GGEERN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1cc(Br)ccn1 ZINC000452138993 566940892 /nfs/dbraw/zinc/94/08/92/566940892.db2.gz LSLYOQJFJLWULR-QGZVFWFLSA-N 0 0 388.265 3.436 10 30 GGEERN N#Cc1ccc(NC(=O)N(CCO)Cc2cc(Br)cs2)cc1 ZINC000492934929 566941201 /nfs/dbraw/zinc/94/12/01/566941201.db2.gz BYWCKOCEINNWAR-UHFFFAOYSA-N 0 0 380.267 3.409 10 30 GGEERN N#CCc1ccc(CS(=O)(=O)N[C@@H]2CCOc3c(Cl)cccc32)cc1 ZINC000519546624 566946195 /nfs/dbraw/zinc/94/61/95/566946195.db2.gz VDORFKQKHGSLII-QGZVFWFLSA-N 0 0 376.865 3.349 10 30 GGEERN N#Cc1ccc(OCC(=O)NCCCC2CCOCC2)cc1Br ZINC000452201081 566950076 /nfs/dbraw/zinc/95/00/76/566950076.db2.gz QFTPQRADLPCGGT-UHFFFAOYSA-N 0 0 381.270 3.023 10 30 GGEERN C=CCNc1ncc(C(=O)Nc2ccc(CN(C)C)c(Br)c2)s1 ZINC000471367586 566950543 /nfs/dbraw/zinc/95/05/43/566950543.db2.gz WHRZXPUZLFMHQP-UHFFFAOYSA-N 0 0 395.326 3.239 10 30 GGEERN N#C[C@H](NC(=O)Cc1cccc(I)c1)c1ccc(F)cc1 ZINC000471400486 566950643 /nfs/dbraw/zinc/95/06/43/566950643.db2.gz ZPWIZDVKUZXPPV-HNNXBMFYSA-N 0 0 394.187 3.354 10 30 GGEERN N#CCN1CCC(NC(=O)N2CCC[C@@H]2c2ccc(Br)s2)CC1 ZINC000612122635 566954527 /nfs/dbraw/zinc/95/45/27/566954527.db2.gz ZPVVWMWKYCSXAF-CYBMUJFWSA-N 0 0 397.342 3.345 10 30 GGEERN C[C@@H](C#N)CN(C1CC1)S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429829771 566954669 /nfs/dbraw/zinc/95/46/69/566954669.db2.gz MJESRCZSHCGAJH-VIFPVBQESA-N 0 0 377.691 3.415 10 30 GGEERN COc1ccc2c(c1)CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)C2 ZINC000612144060 566956907 /nfs/dbraw/zinc/95/69/07/566956907.db2.gz QJEJHIGYTPWWGT-OAHLLOKOSA-N 0 0 376.865 3.056 10 30 GGEERN COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c(C)cc1C ZINC000471581648 566962674 /nfs/dbraw/zinc/96/26/74/566962674.db2.gz QBUYHNXPELWDGS-UHFFFAOYSA-N 0 0 378.837 3.416 10 30 GGEERN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cc(C#N)cn1C ZINC000471579085 566962694 /nfs/dbraw/zinc/96/26/94/566962694.db2.gz WQWOYNMWOBTYOG-HNNXBMFYSA-N 0 0 380.231 3.190 10 30 GGEERN Cn1cc(C#N)cc1C(=O)Nc1nc(-c2ccc(Br)cn2)cs1 ZINC000519755881 566964991 /nfs/dbraw/zinc/96/49/91/566964991.db2.gz ZBJFCQGYXCBYNU-UHFFFAOYSA-N 0 0 388.250 3.430 10 30 GGEERN O=S(=O)(NCc1c(F)cc(F)c(F)c1F)c1cnccc1C(F)(F)F ZINC000429914951 566966594 /nfs/dbraw/zinc/96/65/94/566966594.db2.gz WENIPDLFUSLTNS-UHFFFAOYSA-N 0 0 388.264 3.135 10 30 GGEERN C=C[C@](C)(O)CC(=O)N1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000452365813 566967905 /nfs/dbraw/zinc/96/79/05/566967905.db2.gz HRNPCGPPKGKROS-YOEHRIQHSA-N 0 0 399.272 3.009 10 30 GGEERN O=C(NCC[C@@H](O)C(F)(F)F)Nc1cc(F)ccc1OCC(F)(F)F ZINC000494098287 566971431 /nfs/dbraw/zinc/97/14/31/566971431.db2.gz MMLSZHAYZARIOD-SNVBAGLBSA-N 0 0 378.244 3.202 10 30 GGEERN C=CCCCCNC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000471713137 566972555 /nfs/dbraw/zinc/97/25/55/566972555.db2.gz MCJHNUVUBMVMPO-CYBMUJFWSA-N 0 0 388.327 3.331 10 30 GGEERN N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000430005594 566974132 /nfs/dbraw/zinc/97/41/32/566974132.db2.gz VULWJMYXNMTSEY-HZPDHXFCSA-N 0 0 377.263 3.155 10 30 GGEERN O=C(NCC[C@H](O)C(F)(F)F)Nc1ccc(F)cc1OCC(F)(F)F ZINC000494177284 566975201 /nfs/dbraw/zinc/97/52/01/566975201.db2.gz WCGZTXVVKAJFHM-JTQLQIEISA-N 0 0 378.244 3.202 10 30 GGEERN CC[C@@](C)(C#N)NC(=O)c1ccc2cc(I)ccc2n1 ZINC000519855834 566975575 /nfs/dbraw/zinc/97/55/75/566975575.db2.gz FLZCGVMDJYFVGY-HNNXBMFYSA-N 0 0 379.201 3.261 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000612514991 566977768 /nfs/dbraw/zinc/97/77/68/566977768.db2.gz GOLFULHWAZMOEF-BZNIZROVSA-N 0 0 385.277 3.106 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000612514993 566977819 /nfs/dbraw/zinc/97/78/19/566977819.db2.gz GOLFULHWAZMOEF-ZBEGNZNMSA-N 0 0 385.277 3.106 10 30 GGEERN C[C@]1(C#N)CCCN(C(=O)c2ncc(Br)cc2Br)C1 ZINC000612727627 566990235 /nfs/dbraw/zinc/99/02/35/566990235.db2.gz HMIALKAJXZCVNA-CYBMUJFWSA-N 0 0 387.075 3.372 10 30 GGEERN COc1ccc(C#N)cc1CN(CCO)Cc1cc(Br)cs1 ZINC000494279279 566982466 /nfs/dbraw/zinc/98/24/66/566982466.db2.gz IYDSRBQNRYWZLM-UHFFFAOYSA-N 0 0 381.295 3.385 10 30 GGEERN N#Cc1csc(CN2CCN(Cc3cc(Br)ccc3F)CC2)n1 ZINC000564532960 566982718 /nfs/dbraw/zinc/98/27/18/566982718.db2.gz MGYOUBQPNIPEPG-UHFFFAOYSA-N 0 0 395.301 3.234 10 30 GGEERN O=C(Nc1nnc(C(F)(F)C(F)(F)F)s1)c1cc(C(F)(F)F)[nH]n1 ZINC000633732186 566985705 /nfs/dbraw/zinc/98/57/05/566985705.db2.gz YSSWVSUWGWHCNG-UHFFFAOYSA-N 0 0 381.208 3.186 10 30 GGEERN CC(C)CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000520154990 566986226 /nfs/dbraw/zinc/98/62/26/566986226.db2.gz JXYVZARHNVACCJ-UHFFFAOYSA-N 0 0 379.463 3.375 10 30 GGEERN C[C@@](CNC(=O)CCC(F)(F)F)(NC(=O)CCC(F)(F)F)C(F)(F)F ZINC000583820037 566987013 /nfs/dbraw/zinc/98/70/13/566987013.db2.gz QNSMGZLMXRLRHR-VIFPVBQESA-N 0 0 390.246 3.225 10 30 GGEERN N#CC1(CS(=O)(=O)N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CCCC1 ZINC000612672350 566987450 /nfs/dbraw/zinc/98/74/50/566987450.db2.gz MAJWQXKXQYJUFU-PHIMTYICSA-N 0 0 392.365 3.463 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)CCCC1 ZINC000544725465 566988444 /nfs/dbraw/zinc/98/84/44/566988444.db2.gz WLSYVUXJSSQSMW-ZDUSSCGKSA-N 0 0 385.892 3.061 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)N1C[C@@H](O)CC(F)(F)C1 ZINC000656980606 566989154 /nfs/dbraw/zinc/98/91/54/566989154.db2.gz NUSVOVQLQDMFHP-NSHDSACASA-N 0 0 391.212 3.248 10 30 GGEERN COC(=O)[C@H](NCc1ccc(C#N)cc1Br)c1cccc(O)c1 ZINC000612741024 566992899 /nfs/dbraw/zinc/99/28/99/566992899.db2.gz YNKUHWIHEFYRPL-MRXNPFEDSA-N 0 0 375.222 3.030 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1n[nH]c(-c2ccccc2Br)n1 ZINC000583908337 566994191 /nfs/dbraw/zinc/99/41/91/566994191.db2.gz LUDJQPZQSNOXQK-DGCLKSJQSA-N 0 0 377.242 3.154 10 30 GGEERN COc1cc(CNC(=O)Cc2cc(F)ccc2Br)ccc1C#N ZINC000520296420 566995532 /nfs/dbraw/zinc/99/55/32/566995532.db2.gz MUYMBZXGIKBLEN-UHFFFAOYSA-N 0 0 377.213 3.327 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000430179470 566997532 /nfs/dbraw/zinc/99/75/32/566997532.db2.gz QUPOWZAORNJYRU-OAHLLOKOSA-N 0 0 387.277 3.210 10 30 GGEERN COc1cc(Br)ccc1CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430180344 566999503 /nfs/dbraw/zinc/99/95/03/566999503.db2.gz SIHQGDLJGOXOGS-MRXNPFEDSA-N 0 0 388.265 3.378 10 30 GGEERN N#Cc1cc(Cl)cc(Br)c1N1CC[C@@H](Nc2ncccn2)C1 ZINC000520401265 567003385 /nfs/dbraw/zinc/00/33/85/567003385.db2.gz CBUWNJHJCVXSDU-GFCCVEGCSA-N 0 0 378.661 3.455 10 30 GGEERN CCN(CCC#N)C(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000564747494 567004566 /nfs/dbraw/zinc/00/45/66/567004566.db2.gz LVJOBELOYYKPGX-UHFFFAOYSA-N 0 0 392.175 3.169 10 30 GGEERN C=CCOCCNC(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000681775927 567004521 /nfs/dbraw/zinc/00/45/21/567004521.db2.gz FIXOMSOEPKEYDI-UHFFFAOYSA-N 0 0 379.258 3.018 10 30 GGEERN Cc1nc(NC(=O)COc2cccc(Br)c2C#N)cc(C2CC2)n1 ZINC000564782662 567007402 /nfs/dbraw/zinc/00/74/02/567007402.db2.gz JQBCUJVPDMMWHK-UHFFFAOYSA-N 0 0 387.237 3.314 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCCc2ccccc2OC(F)F)ccc1Cl ZINC000472191829 567008441 /nfs/dbraw/zinc/00/84/41/567008441.db2.gz DJSJSTBUYBEIHO-UHFFFAOYSA-N 0 0 386.807 3.334 10 30 GGEERN C=CCCC1(CNS(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)CCCC1 ZINC000657064671 567009313 /nfs/dbraw/zinc/00/93/13/567009313.db2.gz OHNGHQIGOINTTH-UHFFFAOYSA-N 0 0 385.551 3.036 10 30 GGEERN N#Cc1ccc(OCCNC(=O)c2c[nH]c3ncc(Br)cc23)cc1 ZINC000472205926 567009641 /nfs/dbraw/zinc/00/96/41/567009641.db2.gz KONLXPVLWUMSMP-UHFFFAOYSA-N 0 0 385.221 3.006 10 30 GGEERN N#C[C@H](NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 ZINC000520512201 567010390 /nfs/dbraw/zinc/01/03/90/567010390.db2.gz YMDYMKARZVTGTP-HNNXBMFYSA-N 0 0 380.206 3.243 10 30 GGEERN C=CCN([C@H](C)COC)S(=O)(=O)c1cccc(Br)c1Cl ZINC000657074093 567010425 /nfs/dbraw/zinc/01/04/25/567010425.db2.gz VOCMFAMIJFILFI-SNVBAGLBSA-N 0 0 382.707 3.314 10 30 GGEERN CO[C@H](C(=O)N[C@H](C#N)c1ccc(Br)cc1)c1ccc(O)cc1 ZINC000494614658 567013424 /nfs/dbraw/zinc/01/34/24/567013424.db2.gz URWLNSWOSIJPEA-CVEARBPZSA-N 0 0 375.222 3.223 10 30 GGEERN CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000520615733 567013785 /nfs/dbraw/zinc/01/37/85/567013785.db2.gz SUIPRGSNPWAVTQ-UHFFFAOYSA-N 0 0 380.853 3.444 10 30 GGEERN C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCS1 ZINC000494661590 567015166 /nfs/dbraw/zinc/01/51/66/567015166.db2.gz OGPONDFLONQCGC-LBPRGKRZSA-N 0 0 375.885 3.179 10 30 GGEERN CCCN(C(=O)[C@H](C)n1cnc(C#N)n1)[C@@H](C)c1ccccc1Br ZINC000494648638 567015515 /nfs/dbraw/zinc/01/55/15/567015515.db2.gz NUPPWVZJSHZXFH-STQMWFEESA-N 0 0 390.285 3.473 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000564888357 567017955 /nfs/dbraw/zinc/01/79/55/567017955.db2.gz YUURKXLTBPLHCN-YKVXOKOOSA-N 0 0 385.291 3.184 10 30 GGEERN C=CCCCCCNC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000584180502 567018480 /nfs/dbraw/zinc/01/84/80/567018480.db2.gz QFGFTHHSEGISFT-UHFFFAOYSA-N 0 0 392.297 3.412 10 30 GGEERN C=CCC1(NS(=O)(=O)c2c(C)cc(Br)cc2C)CCOCC1 ZINC000657128064 567020764 /nfs/dbraw/zinc/02/07/64/567020764.db2.gz QUJBQQUNWKXZDA-UHFFFAOYSA-N 0 0 388.327 3.470 10 30 GGEERN O=C(N[C@@H](CO)CC(F)(F)F)c1c(F)c(F)c(Br)c(F)c1F ZINC000613215957 567021491 /nfs/dbraw/zinc/02/14/91/567021491.db2.gz OJJZBCMOHJJIII-GSVOUGTGSA-N 0 0 398.072 3.049 10 30 GGEERN C=CCN(C(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000494810679 567023938 /nfs/dbraw/zinc/02/39/38/567023938.db2.gz MSNPWEAEFGZSEV-MRXNPFEDSA-N 0 0 378.881 3.150 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC000613247203 567024677 /nfs/dbraw/zinc/02/46/77/567024677.db2.gz MSXUPDCPTUBMAM-OAUYIBNBSA-N 0 0 397.313 3.112 10 30 GGEERN N#Cc1cccc(N2CCN(Cc3cc(Br)cc(F)c3F)CC2)n1 ZINC000584294437 567028870 /nfs/dbraw/zinc/02/88/70/567028870.db2.gz SKNRCQZRQBANPR-UHFFFAOYSA-N 0 0 393.235 3.316 10 30 GGEERN C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000634374925 567032664 /nfs/dbraw/zinc/03/26/64/567032664.db2.gz HQVMXWXDSMCQNW-XQQFMLRXSA-N 0 0 376.448 3.029 10 30 GGEERN C=CCn1c(SC[C@@H](OC)[C@H]2CCOC2)nc2sc(C)c(C)c2c1=O ZINC000657229254 567037502 /nfs/dbraw/zinc/03/75/02/567037502.db2.gz FIIIEKDPSOUHSG-UONOGXRCSA-N 0 0 380.535 3.404 10 30 GGEERN C=CCn1c(SC[C@H](OC)[C@H]2CCOC2)nc2sc(C)c(C)c2c1=O ZINC000657229252 567037825 /nfs/dbraw/zinc/03/78/25/567037825.db2.gz FIIIEKDPSOUHSG-KBPBESRZSA-N 0 0 380.535 3.404 10 30 GGEERN C=CCn1c(SC[C@H](OC)[C@@H]2CCOC2)nc2cc(Cl)ccc2c1=O ZINC000657223284 567038057 /nfs/dbraw/zinc/03/80/57/567038057.db2.gz QDMURLDDMCNEBC-WBMJQRKESA-N 0 0 380.897 3.380 10 30 GGEERN N#C[C@@H](NC(=O)c1cnc(C(F)(F)F)nc1)c1ccc(Br)cc1 ZINC000495003890 567039089 /nfs/dbraw/zinc/03/90/89/567039089.db2.gz JSKUXGKJQBGIHS-LLVKDONJSA-N 0 0 385.143 3.253 10 30 GGEERN COC(=O)c1cccc(NC(=O)N(C[C@H](C)C#N)C2CC2)c1Br ZINC000495039548 567040731 /nfs/dbraw/zinc/04/07/31/567040731.db2.gz ZMWKKNOBXVLAGF-SNVBAGLBSA-N 0 0 380.242 3.392 10 30 GGEERN C=CCn1c(SC[C@@H](O)CC2(O)CCC2)nc2sc(C)c(C)c2c1=O ZINC000634637844 567043003 /nfs/dbraw/zinc/04/30/03/567043003.db2.gz CSBVXDWTSHCZHV-ZDUSSCGKSA-N 0 0 380.535 3.019 10 30 GGEERN N#CC1(CS(=O)(=O)NCC2(c3cccc(Br)c3)CC2)CCCC1 ZINC000545358229 567043262 /nfs/dbraw/zinc/04/32/62/567043262.db2.gz XZGMRFHWIOHTGB-UHFFFAOYSA-N 0 0 397.338 3.484 10 30 GGEERN CN(CCc1ccc(Br)cc1)S(=O)(=O)CC1(C#N)CCCC1 ZINC000545357277 567043445 /nfs/dbraw/zinc/04/34/45/567043445.db2.gz XNNZVVXLNOLRML-UHFFFAOYSA-N 0 0 385.327 3.337 10 30 GGEERN COc1cc(CNC(=O)NCc2cc(Br)cs2)ccc1C#N ZINC000521130336 567043446 /nfs/dbraw/zinc/04/34/46/567043446.db2.gz AFMFUAVDPJVDHY-UHFFFAOYSA-N 0 0 380.267 3.390 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CCCC1 ZINC000545357728 567043552 /nfs/dbraw/zinc/04/35/52/567043552.db2.gz AGFVUUUCQMHSDR-LBPRGKRZSA-N 0 0 375.277 3.430 10 30 GGEERN C[C@@H](c1ccccc1Cl)N1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 ZINC000584496979 567047242 /nfs/dbraw/zinc/04/72/42/567047242.db2.gz CQUNJKYFNLMGEJ-HNNXBMFYSA-N 0 0 381.929 3.042 10 30 GGEERN COc1cc(CNC(=O)NCc2ccc(Br)s2)ccc1C#N ZINC000584502534 567049369 /nfs/dbraw/zinc/04/93/69/567049369.db2.gz HVBSAOBDRJULTR-UHFFFAOYSA-N 0 0 380.267 3.390 10 30 GGEERN Cc1cc(Br)cc2c(C(=O)NC3CCN(CC#N)CC3)coc21 ZINC000613657195 567053171 /nfs/dbraw/zinc/05/31/71/567053171.db2.gz JTYOHQUHCRFQQS-UHFFFAOYSA-N 0 0 376.254 3.222 10 30 GGEERN C[C@H]1CN(CCNc2c(C#N)cnc3c(Br)cccc32)CCO1 ZINC000565341883 567058462 /nfs/dbraw/zinc/05/84/62/567058462.db2.gz CONHJANOEFDMEY-LBPRGKRZSA-N 0 0 375.270 3.002 10 30 GGEERN C=CCN(CC(F)(F)F)C(=O)c1ccc(I)c(O)c1 ZINC000545517831 567058788 /nfs/dbraw/zinc/05/87/88/567058788.db2.gz BLPGYCBNYXXQHD-UHFFFAOYSA-N 0 0 385.123 3.187 10 30 GGEERN C[C@H]1COCC[C@H]1c1noc(COc2cccc(Br)c2C#N)n1 ZINC000453169161 567059369 /nfs/dbraw/zinc/05/93/69/567059369.db2.gz GFHZFSYKENBFSJ-WDEREUQCSA-N 0 0 378.226 3.423 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)c1ccc(Br)cc1OC ZINC000613866040 567067776 /nfs/dbraw/zinc/06/77/76/567067776.db2.gz KLMLMUGVWRLCQC-IAQYHMDHSA-N 0 0 383.286 3.106 10 30 GGEERN N#Cc1cc(S(=O)(=O)NC[C@@H]2CC23CCSCC3)ccc1C(F)(F)F ZINC000584773639 567069471 /nfs/dbraw/zinc/06/94/71/567069471.db2.gz QKJNMOLWUNMKFL-LBPRGKRZSA-N 0 0 390.452 3.389 10 30 GGEERN N#CCSc1ccccc1NC(=O)COc1cc(Cl)ccc1C(N)=O ZINC000521615003 567069632 /nfs/dbraw/zinc/06/96/32/567069632.db2.gz MFDOKDXBEVVNEE-UHFFFAOYSA-N 0 0 375.837 3.072 10 30 GGEERN C=CCOc1ccc(CNC(=O)N[C@@H](C)c2ncc(Br)cn2)cc1 ZINC000431308961 567073394 /nfs/dbraw/zinc/07/33/94/567073394.db2.gz XCCZUVQASGZXJF-LBPRGKRZSA-N 0 0 391.269 3.364 10 30 GGEERN N#Cc1c(Br)cccc1OCC(=O)NC[C@H]1CC12CCSCC2 ZINC000521857624 567082862 /nfs/dbraw/zinc/08/28/62/567082862.db2.gz BSZDJMNPVJIKOJ-GFCCVEGCSA-N 0 0 395.322 3.349 10 30 GGEERN N#Cc1ccc(CNc2ncnc3cccc(I)c32)cc1 ZINC000545869961 567083671 /nfs/dbraw/zinc/08/36/71/567083671.db2.gz IIYTYEPSKYNUQX-UHFFFAOYSA-N 0 0 386.196 3.140 10 30 GGEERN C=CCn1c(-c2nnn(C)c2C)nnc1N(CC)Cc1ccc(Cl)s1 ZINC000453415281 567087079 /nfs/dbraw/zinc/08/70/79/567087079.db2.gz DGTYPPCCHLILBL-UHFFFAOYSA-N 0 0 377.905 3.309 10 30 GGEERN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](COC)CC1 ZINC000453422784 567087260 /nfs/dbraw/zinc/08/72/60/567087260.db2.gz BGZSZNOVAGRKKS-ZDUSSCGKSA-N 0 0 394.317 3.475 10 30 GGEERN CN(CC(C)(C)C#N)C(=O)c1ncc(Br)cc1Br ZINC000497352166 567091936 /nfs/dbraw/zinc/09/19/36/567091936.db2.gz ICQFLNCKKCIRKW-UHFFFAOYSA-N 0 0 375.064 3.228 10 30 GGEERN Cc1cc(Br)c(CN2CCN(c3cccc(C#N)n3)CC2)s1 ZINC000453571026 567092218 /nfs/dbraw/zinc/09/22/18/567092218.db2.gz LQOAQXFAJOIKCG-UHFFFAOYSA-N 0 0 377.311 3.408 10 30 GGEERN C=CCCO[C@H](C)C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000473634154 567093172 /nfs/dbraw/zinc/09/31/72/567093172.db2.gz PTOCBXGQPBKXAR-CYBMUJFWSA-N 0 0 378.519 3.228 10 30 GGEERN C=CCCO[C@@H](C)C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000473634155 567093781 /nfs/dbraw/zinc/09/37/81/567093781.db2.gz PTOCBXGQPBKXAR-ZDUSSCGKSA-N 0 0 378.519 3.228 10 30 GGEERN COC(=O)c1sccc1S(=O)(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431619497 567095707 /nfs/dbraw/zinc/09/57/07/567095707.db2.gz ILHKBXCVKVKKCT-CQSZACIVSA-N 0 0 378.475 3.248 10 30 GGEERN N#C[C@H](NC(=O)CCc1cccc2c1OCO2)c1ccc(Br)cc1 ZINC000473672392 567096410 /nfs/dbraw/zinc/09/64/10/567096410.db2.gz BAFMGSIJCLCDRP-HNNXBMFYSA-N 0 0 387.233 3.491 10 30 GGEERN N#C[C@H](NC(=O)c1cnc(OCC2CC2)cn1)c1ccccc1Br ZINC000586780487 567096737 /nfs/dbraw/zinc/09/67/37/567096737.db2.gz RBSIFYWENPSNPD-AWEZNQCLSA-N 0 0 387.237 3.023 10 30 GGEERN COC(=O)c1csc(S(=O)(=O)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000431631606 567097568 /nfs/dbraw/zinc/09/75/68/567097568.db2.gz RYUINDFQCXOSPN-HNNXBMFYSA-N 0 0 378.475 3.248 10 30 GGEERN N#Cc1cc(C(=O)Nc2cc(I)ccc2O)ccc1F ZINC000586802061 567098441 /nfs/dbraw/zinc/09/84/41/567098441.db2.gz XQVKUIRTPDCSPG-UHFFFAOYSA-N 0 0 382.132 3.260 10 30 GGEERN N#Cc1cc(Cl)c(C(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)c(Cl)c1 ZINC000586814529 567099581 /nfs/dbraw/zinc/09/95/81/567099581.db2.gz MKEQGMKQQLYLCN-LLVKDONJSA-N 0 0 376.247 3.087 10 30 GGEERN N#CC1(CS(=O)(=O)N2CCc3cccc(Br)c3C2)CCCC1 ZINC000546063383 567100590 /nfs/dbraw/zinc/10/05/90/567100590.db2.gz CCIFZDOZDCNSLG-UHFFFAOYSA-N 0 0 383.311 3.221 10 30 GGEERN N#Cc1cc(Cl)cc(Br)c1N1CCN(C[C@@H]2CCCO2)CC1 ZINC000586986134 567102754 /nfs/dbraw/zinc/10/27/54/567102754.db2.gz GZWFQUYOUANYPA-AWEZNQCLSA-N 0 0 384.705 3.275 10 30 GGEERN N#CC1(CS(=O)(=O)NCc2cc(F)ccc2Br)CCCC1 ZINC000546091675 567103218 /nfs/dbraw/zinc/10/32/18/567103218.db2.gz FWOYGNPNKFZOSL-UHFFFAOYSA-N 0 0 375.263 3.092 10 30 GGEERN N#Cc1cc(Cl)cc(Br)c1N1CCN(C[C@H]2CCCO2)CC1 ZINC000586986135 567103413 /nfs/dbraw/zinc/10/34/13/567103413.db2.gz GZWFQUYOUANYPA-CQSZACIVSA-N 0 0 384.705 3.275 10 30 GGEERN Cn1c2ccc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)cc2[nH]c1=O ZINC000522202288 567104633 /nfs/dbraw/zinc/10/46/33/567104633.db2.gz QSIOWXBDCOCHNH-AWEZNQCLSA-N 0 0 385.221 3.036 10 30 GGEERN COc1cccc(COCC(=O)N[C@H](C#N)c2ccc(Br)cc2)c1 ZINC000522201481 567105326 /nfs/dbraw/zinc/10/53/26/567105326.db2.gz ADXBHJRFNSZBFE-QGZVFWFLSA-N 0 0 389.249 3.355 10 30 GGEERN CCCCS[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000522204599 567105549 /nfs/dbraw/zinc/10/55/49/567105549.db2.gz DTLIWSCXXCIMRU-BBRMVZONSA-N 0 0 377.535 3.320 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000614362174 567106316 /nfs/dbraw/zinc/10/63/16/567106316.db2.gz PARPHOAECOLHSS-CKEIUWERSA-N 0 0 397.288 3.421 10 30 GGEERN N#Cc1cc(Cl)cc(Br)c1N1CCC[C@@H](Cn2ccnn2)C1 ZINC000588005242 567108050 /nfs/dbraw/zinc/10/80/50/567108050.db2.gz AIQGOSFTVCPJJW-LLVKDONJSA-N 0 0 380.677 3.482 10 30 GGEERN C[C@@H](C#N)CN(C(=O)C(=O)Nc1cc(Cl)cc(Br)c1)C1CC1 ZINC000453743434 567108277 /nfs/dbraw/zinc/10/82/77/567108277.db2.gz JHABKRKMLRVNRP-VIFPVBQESA-N 0 0 384.661 3.192 10 30 GGEERN Cc1ccc(F)c(Br)c1NC(=O)C(=O)NCC1CCC(C#N)CC1 ZINC000453785971 567112264 /nfs/dbraw/zinc/11/22/64/567112264.db2.gz ZKPOHPRLIALQOM-UHFFFAOYSA-N 0 0 396.260 3.281 10 30 GGEERN N#Cc1cccc(N2CCN(Cc3ccc(F)c(Br)c3)CC2)n1 ZINC000546210882 567115834 /nfs/dbraw/zinc/11/58/34/567115834.db2.gz UOYRLSQNZUTADC-UHFFFAOYSA-N 0 0 375.245 3.177 10 30 GGEERN Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[C@@H](CC#N)C2)cc1Br ZINC000453859328 567119823 /nfs/dbraw/zinc/11/98/23/567119823.db2.gz QOIGGOMFPRNACK-STQMWFEESA-N 0 0 378.270 3.203 10 30 GGEERN CC(C)(C)CC(=O)N1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000588197083 567120249 /nfs/dbraw/zinc/12/02/49/567120249.db2.gz ZZNYCNGNVYONNE-UHFFFAOYSA-N 0 0 378.314 3.401 10 30 GGEERN N#Cc1ccnc(C(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)c1 ZINC000588306485 567125111 /nfs/dbraw/zinc/12/51/11/567125111.db2.gz JUECMUCSANBGBO-UHFFFAOYSA-N 0 0 381.233 3.396 10 30 GGEERN Cc1cc(NC(=O)c2cc(C#N)ccn2)n(-c2cccc(Br)c2)n1 ZINC000588342317 567126468 /nfs/dbraw/zinc/12/64/68/567126468.db2.gz JYQVAWIGDISUHN-UHFFFAOYSA-N 0 0 382.221 3.462 10 30 GGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000453935816 567127088 /nfs/dbraw/zinc/12/70/88/567127088.db2.gz CENJBPKPHNFYCE-YPMHNXCESA-N 0 0 376.762 3.147 10 30 GGEERN C=CCN(CC(F)(F)F)C(=O)CSc1nnc(-c2cccs2)n1C ZINC000588367773 567128572 /nfs/dbraw/zinc/12/85/72/567128572.db2.gz UFKOSYRRMSXCJY-UHFFFAOYSA-N 0 0 376.429 3.213 10 30 GGEERN N#Cc1cscc1C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000432064793 567129071 /nfs/dbraw/zinc/12/90/71/567129071.db2.gz WDJGQBHXPDURTF-UHFFFAOYSA-N 0 0 396.335 3.402 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000566142158 567129680 /nfs/dbraw/zinc/12/96/80/567129680.db2.gz DHQGMQVEKOEGRQ-BHYGNILZSA-N 0 0 395.297 3.123 10 30 GGEERN N#Cc1cscc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000432062925 567129605 /nfs/dbraw/zinc/12/96/05/567129605.db2.gz RJBKYLLLQOASGB-UHFFFAOYSA-N 0 0 375.475 3.047 10 30 GGEERN Cc1nc2c(s1)[C@H](N(C)S(=O)(=O)Cc1ccc(CC#N)cc1)CCC2 ZINC000566162754 567132245 /nfs/dbraw/zinc/13/22/45/567132245.db2.gz YQQPKYRQYSJESF-QGZVFWFLSA-N 0 0 375.519 3.357 10 30 GGEERN N#CC1(CS(=O)(=O)NCCc2cccc(C(F)(F)F)n2)CCCCC1 ZINC000432265947 567142498 /nfs/dbraw/zinc/14/24/98/567142498.db2.gz CELCOOURHNTXRZ-UHFFFAOYSA-N 0 0 375.416 3.036 10 30 GGEERN CN(CC(C)(C)C#N)S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000432289136 567145340 /nfs/dbraw/zinc/14/53/40/567145340.db2.gz LTEGLHGRGQTAJU-UHFFFAOYSA-N 0 0 382.283 3.168 10 30 GGEERN C=CCOCCCNC(=O)C(=O)Nc1nc(-c2ccc(CC)s2)cs1 ZINC000658619734 567150657 /nfs/dbraw/zinc/15/06/57/567150657.db2.gz COLWIEPUALCGOJ-UHFFFAOYSA-N 0 0 379.507 3.081 10 30 GGEERN N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC(F)(c2ccccn2)CC1 ZINC000566338103 567150665 /nfs/dbraw/zinc/15/06/65/567150665.db2.gz MOVLKQWLFYUGLY-UHFFFAOYSA-N 0 0 379.844 3.256 10 30 GGEERN C[C@H](C(=O)Nc1ccc(C(F)(F)F)c(Br)c1)n1cnc(C#N)n1 ZINC000546711896 567151002 /nfs/dbraw/zinc/15/10/02/567151002.db2.gz MMNLDPYSURGTRK-SSDOTTSWSA-N 0 0 388.147 3.131 10 30 GGEERN N#Cc1cscc1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000432391376 567156508 /nfs/dbraw/zinc/15/65/08/567156508.db2.gz KFOWXZXEXJIGCQ-UHFFFAOYSA-N 0 0 379.235 3.083 10 30 GGEERN Cc1cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c(Br)s1 ZINC000546875000 567166162 /nfs/dbraw/zinc/16/61/62/567166162.db2.gz JNDBYMIQTJHWRF-UHFFFAOYSA-N 0 0 391.294 3.048 10 30 GGEERN C=C[C@@](C)(CCOC)C(=O)Nc1cc(I)ccc1O ZINC000615137545 567166372 /nfs/dbraw/zinc/16/63/72/567166372.db2.gz DQPTXRDPXIIJAL-AWEZNQCLSA-N 0 0 375.206 3.164 10 30 GGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cccc(Br)c1COC ZINC000658867050 567166588 /nfs/dbraw/zinc/16/65/88/567166588.db2.gz OJJYTFGHSOASGL-BETUJISGSA-N 0 0 393.281 3.244 10 30 GGEERN N#CC1(CS(=O)(=O)N2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CCC1 ZINC000589218934 567166541 /nfs/dbraw/zinc/16/65/41/567166541.db2.gz MJCPPQLTVWQLCJ-AOOOYVTPSA-N 0 0 378.338 3.073 10 30 GGEERN N#CC1(CS(=O)(=O)NCCc2c[nH]c3cccc(Br)c23)CCC1 ZINC000589236812 567170435 /nfs/dbraw/zinc/17/04/35/567170435.db2.gz HJYQVQACVTWNDV-UHFFFAOYSA-N 0 0 396.310 3.086 10 30 GGEERN C[C@@H](NC(=O)NCCOc1ccc(C#N)cc1)c1ccc(Br)cn1 ZINC000474442773 567171441 /nfs/dbraw/zinc/17/14/41/567171441.db2.gz ZYFPCEVAFXJZLF-GFCCVEGCSA-N 0 0 389.253 3.155 10 30 GGEERN CC1(C)CN(S(=O)(=O)c2cncc(C#N)c2)c2ccc(Br)cc21 ZINC000589292326 567173232 /nfs/dbraw/zinc/17/32/32/567173232.db2.gz LMBNPYNOQBANPZ-UHFFFAOYSA-N 0 0 392.278 3.202 10 30 GGEERN C[C@@](CO)(NC(=O)Nc1ccc(C#N)c(F)c1)c1ccc(Br)cc1 ZINC000589349929 567177337 /nfs/dbraw/zinc/17/73/37/567177337.db2.gz FRAJCQCZPQEQOH-KRWDZBQOSA-N 0 0 392.228 3.489 10 30 GGEERN N#CC1(NC(=O)CCC[S@@](=O)c2ccc(Br)cc2)CCCC1 ZINC000523951384 567177981 /nfs/dbraw/zinc/17/79/81/567177981.db2.gz VOKBLUUNAFTKPF-JOCHJYFZSA-N 0 0 383.311 3.289 10 30 GGEERN C[C@@H](NS(=O)(=O)CC1(C#N)CCC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000474581995 567180833 /nfs/dbraw/zinc/18/08/33/567180833.db2.gz VQDGZUXRJDBDBP-LLVKDONJSA-N 0 0 380.857 3.064 10 30 GGEERN Cc1sc(CCNS(=O)(=O)CC2(C#N)CCC2)nc1-c1ccccc1 ZINC000474581627 567181079 /nfs/dbraw/zinc/18/10/79/567181079.db2.gz DIMGPMFTHCEEEQ-UHFFFAOYSA-N 0 0 375.519 3.274 10 30 GGEERN N#Cc1ccc(S(=O)(=O)Nc2ncc(C3CCC3)cc2Br)cn1 ZINC000566719555 567182958 /nfs/dbraw/zinc/18/29/58/567182958.db2.gz JUJWGBUYWXYNOV-UHFFFAOYSA-N 0 0 393.266 3.179 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCCc1ccc(Br)cc1Cl ZINC000615405111 567183548 /nfs/dbraw/zinc/18/35/48/567183548.db2.gz AESURYFYCIHXRY-OAHLLOKOSA-N 0 0 387.705 3.232 10 30 GGEERN N#C[C@@]1(F)CCN(C(=O)CSCc2ccc(Br)cc2F)C1 ZINC000615591674 567191587 /nfs/dbraw/zinc/19/15/87/567191587.db2.gz QYVPZMNPJWHJTK-AWEZNQCLSA-N 0 0 375.238 3.286 10 30 GGEERN N#Cc1cccc(C(=O)NC2(c3ccc(Br)cc3)CCOCC2)n1 ZINC000589755861 567193940 /nfs/dbraw/zinc/19/39/40/567193940.db2.gz ZBWAGGYHYWWLSK-UHFFFAOYSA-N 0 0 386.249 3.151 10 30 GGEERN Cn1cc(Br)c(CN2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000432818287 567195019 /nfs/dbraw/zinc/19/50/19/567195019.db2.gz JZPGRNVMKJZZMH-UHFFFAOYSA-N 0 0 375.270 3.098 10 30 GGEERN Cn1cc(Br)c(CNC(=O)N[C@H](CCC#N)c2ccccc2)n1 ZINC000454729331 567197952 /nfs/dbraw/zinc/19/79/52/567197952.db2.gz XHMBECXTGXWAEC-CQSZACIVSA-N 0 0 376.258 3.027 10 30 GGEERN N#Cc1cnc(N2CCN(c3ccc(Br)cn3)CC2)c(Cl)c1 ZINC000524493707 567200913 /nfs/dbraw/zinc/20/09/13/567200913.db2.gz PTQACHSWLQMRJK-UHFFFAOYSA-N 0 0 378.661 3.091 10 30 GGEERN N#C[C@@H](NC(=O)c1cnn(CC(F)(F)F)c1)c1cccc(Br)c1 ZINC000615742190 567203381 /nfs/dbraw/zinc/20/33/81/567203381.db2.gz KHXCVWRMLIHYAY-GFCCVEGCSA-N 0 0 387.159 3.203 10 30 GGEERN COc1cc(C#N)ccc1NC(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000547417697 567207635 /nfs/dbraw/zinc/20/76/35/567207635.db2.gz VHJIKGDLADICBC-OAHLLOKOSA-N 0 0 390.237 3.184 10 30 GGEERN N#C[C@H](NC(=O)Cn1cc(-c2ccccc2)nn1)c1ccc(Br)cc1 ZINC000474905135 567208114 /nfs/dbraw/zinc/20/81/14/567208114.db2.gz FRHGSWUZGIRBCY-INIZCTEOSA-N 0 0 396.248 3.089 10 30 GGEERN N#CC1(CS(=O)(=O)NCCc2ccc(Br)s2)CCCC1 ZINC000498889872 567208663 /nfs/dbraw/zinc/20/86/63/567208663.db2.gz CDBJSGISHWOTPW-UHFFFAOYSA-N 0 0 377.329 3.056 10 30 GGEERN O=S(=O)(NC1CCCC1)[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000566993397 567209676 /nfs/dbraw/zinc/20/96/76/567209676.db2.gz YOZYKPBAXYSMSH-IBGZPJMESA-N 0 0 380.941 3.018 10 30 GGEERN CN(Cc1ccc(Br)s1)S(=O)(=O)CC1(C#N)CCCC1 ZINC000498895132 567210425 /nfs/dbraw/zinc/21/04/25/567210425.db2.gz VVYUDUFVTUVKNW-UHFFFAOYSA-N 0 0 377.329 3.356 10 30 GGEERN CCOC(=O)c1csc(CCNC(=O)c2c(Cl)cc(C#N)cc2Cl)n1 ZINC000615852355 567211463 /nfs/dbraw/zinc/21/14/63/567211463.db2.gz QYWZBCZKJRLGFM-UHFFFAOYSA-N 0 0 398.271 3.471 10 30 GGEERN N#CC1(CC(=O)Nc2ccc(F)c([N-]S(=O)(=O)c3cccs3)c2)CC1 ZINC000590158534 567211430 /nfs/dbraw/zinc/21/14/30/567211430.db2.gz BEBXQWQTFRCBLH-UHFFFAOYSA-N 0 0 379.438 3.320 10 30 GGEERN C[C@H](C#N)CN(C(=O)CNC(=O)c1sc2ccccc2c1Cl)C1CC1 ZINC000547458638 567211947 /nfs/dbraw/zinc/21/19/47/567211947.db2.gz ZOIMXBLYDLCRSU-LLVKDONJSA-N 0 0 375.881 3.435 10 30 GGEERN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)c(Br)c1 ZINC000590165726 567211920 /nfs/dbraw/zinc/21/19/20/567211920.db2.gz FFGIXXNQIMSLFC-JTQLQIEISA-N 0 0 383.242 3.499 10 30 GGEERN N#CC1(CC(=O)NCC2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000590204457 567213500 /nfs/dbraw/zinc/21/35/00/567213500.db2.gz UAQWTCJRIZYKFH-UHFFFAOYSA-N 0 0 377.282 3.307 10 30 GGEERN N#CC1(CC(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)CC1 ZINC000590203792 567213617 /nfs/dbraw/zinc/21/36/17/567213617.db2.gz AJWOPXUPJXGDQI-UHFFFAOYSA-N 0 0 390.281 3.320 10 30 GGEERN N#CC1(Cc2nc(Cc3cc(Br)c4c(c3)OCCCO4)no2)CC1 ZINC000590267444 567217665 /nfs/dbraw/zinc/21/76/65/567217665.db2.gz HDUNHLXQYODVDK-UHFFFAOYSA-N 0 0 390.237 3.430 10 30 GGEERN C=CCn1c(SCC(=O)NCC2CSC2)nnc1-c1ccc(Cl)cc1 ZINC000616065367 567224065 /nfs/dbraw/zinc/22/40/65/567224065.db2.gz BGJZBPBIZKZJRM-UHFFFAOYSA-N 0 0 394.953 3.356 10 30 GGEERN CCO[C@@H]1C[C@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)[C@@H]1n1cccn1 ZINC000590534842 567229908 /nfs/dbraw/zinc/22/99/08/567229908.db2.gz QUWFYTLVPSZXTI-LZWOXQAQSA-N 0 0 379.247 3.210 10 30 GGEERN CCO[C@@H]1C[C@@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)[C@@H]1n1cccn1 ZINC000590534840 567229967 /nfs/dbraw/zinc/22/99/67/567229967.db2.gz QUWFYTLVPSZXTI-FMKPAKJESA-N 0 0 379.247 3.210 10 30 GGEERN Cc1ccc(NC(=O)[C@H](C#N)c2nc3ccc(Br)cc3c(=O)[nH]2)cn1 ZINC000616177096 567230912 /nfs/dbraw/zinc/23/09/12/567230912.db2.gz ORSUPTGFSVNSMS-CYBMUJFWSA-N 0 0 398.220 3.047 10 30 GGEERN COCCOc1ccc(Br)cc1NC(=O)N(C)CC(C)(C)C#N ZINC000455098937 567234636 /nfs/dbraw/zinc/23/46/36/567234636.db2.gz YBMOKZNSTZHKEJ-UHFFFAOYSA-N 0 0 384.274 3.488 10 30 GGEERN C[C@@H](NC(=O)c1c(F)c(F)c(Br)c(F)c1F)[C@@H](O)C(F)(F)F ZINC000616248081 567235212 /nfs/dbraw/zinc/23/52/12/567235212.db2.gz HEWQKAGIMMZKRH-DUTTYOFASA-N 0 0 398.072 3.047 10 30 GGEERN CS(=O)(=O)N(Cc1ccc(C#N)c(F)c1)c1ccccc1Br ZINC000616265939 567236258 /nfs/dbraw/zinc/23/62/58/567236258.db2.gz HJKOXVSFKNOWBM-UHFFFAOYSA-N 0 0 383.242 3.426 10 30 GGEERN N#Cc1ccc(N2CCC(Nc3ncc(Br)cc3C#N)CC2)nc1 ZINC000590688243 567239580 /nfs/dbraw/zinc/23/95/80/567239580.db2.gz WZMDLRSVQPTNJR-UHFFFAOYSA-N 0 0 383.253 3.063 10 30 GGEERN C[C@@H](NC(=O)c1cccs1)C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000499391409 567243568 /nfs/dbraw/zinc/24/35/68/567243568.db2.gz WPYXJLNFSLQRPP-ZWNOBZJWSA-N 0 0 392.278 3.010 10 30 GGEERN N#C[C@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc(Br)cc1 ZINC000499395862 567243859 /nfs/dbraw/zinc/24/38/59/567243859.db2.gz YUHRIEVDBXEXDQ-INIZCTEOSA-N 0 0 384.233 3.328 10 30 GGEERN COc1cccc(OCC(=O)N[C@@H](C#N)c2ccc(Br)cc2)c1 ZINC000499407532 567244845 /nfs/dbraw/zinc/24/48/45/567244845.db2.gz LWOMBGWANYNIGL-INIZCTEOSA-N 0 0 375.222 3.218 10 30 GGEERN N#C[C@@H](NC(=O)[C@H](O)Cc1ccccc1Cl)c1ccc(Br)cc1 ZINC000475396759 567245023 /nfs/dbraw/zinc/24/50/23/567245023.db2.gz VORQSVCGIIPIDG-HZPDHXFCSA-N 0 0 393.668 3.387 10 30 GGEERN CCOc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000590760273 567245126 /nfs/dbraw/zinc/24/51/26/567245126.db2.gz KCRHYHQYNKLQJU-AAEUAGOBSA-N 0 0 387.299 3.208 10 30 GGEERN N#Cc1cccc(CC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC000567416681 567245175 /nfs/dbraw/zinc/24/51/75/567245175.db2.gz TWSLEXXHBQJBSK-QGZVFWFLSA-N 0 0 384.277 3.258 10 30 GGEERN N#C[C@@H](NC(=O)[C@@H](O)Cc1ccccc1Cl)c1ccc(Br)cc1 ZINC000475396757 567245142 /nfs/dbraw/zinc/24/51/42/567245142.db2.gz VORQSVCGIIPIDG-CVEARBPZSA-N 0 0 393.668 3.387 10 30 GGEERN N#C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000499408226 567245319 /nfs/dbraw/zinc/24/53/19/567245319.db2.gz XPLASBCHBJMMCN-CQSZACIVSA-N 0 0 389.209 3.150 10 30 GGEERN COCCOc1ccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc1 ZINC000499407457 567245404 /nfs/dbraw/zinc/24/54/04/567245404.db2.gz UXWLBDVCXIHQPS-KRWDZBQOSA-N 0 0 389.249 3.469 10 30 GGEERN COc1ccc(CC(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1OC ZINC000499408866 567245559 /nfs/dbraw/zinc/24/55/59/567245559.db2.gz QUHPPEXNSAGNAV-OAHLLOKOSA-N 0 0 389.249 3.390 10 30 GGEERN CC(=O)NCc1ccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)s1 ZINC000499408319 567245619 /nfs/dbraw/zinc/24/56/19/567245619.db2.gz OYRPCWFCYYOWED-CQSZACIVSA-N 0 0 392.278 3.141 10 30 GGEERN Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000499405078 567245653 /nfs/dbraw/zinc/24/56/53/567245653.db2.gz LTRWEGHIIOXKDM-MEBBXXQBSA-N 0 0 375.270 3.284 10 30 GGEERN N#C[C@H](NC(=O)CNC(=O)CCC1CCCC1)c1ccc(Br)cc1 ZINC000499405096 567245687 /nfs/dbraw/zinc/24/56/87/567245687.db2.gz FFWTXFMBMUQWCM-INIZCTEOSA-N 0 0 392.297 3.217 10 30 GGEERN Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000499405076 567245766 /nfs/dbraw/zinc/24/57/66/567245766.db2.gz LTRWEGHIIOXKDM-BONVTDFDSA-N 0 0 375.270 3.284 10 30 GGEERN N#C[C@H](NC(=O)c1ccc(OC(F)F)cn1)c1ccc(Br)cc1 ZINC000475392254 567245846 /nfs/dbraw/zinc/24/58/46/567245846.db2.gz OJERYDFLKDJFJY-ZDUSSCGKSA-N 0 0 382.164 3.440 10 30 GGEERN N#C[C@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000499416446 567246380 /nfs/dbraw/zinc/24/63/80/567246380.db2.gz FPVSWABWBPWCIX-HNNXBMFYSA-N 0 0 390.193 3.117 10 30 GGEERN Cc1cc2ncc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)c(C)n2n1 ZINC000499416074 567246506 /nfs/dbraw/zinc/24/65/06/567246506.db2.gz SRWOXUZFKRQQAN-HNNXBMFYSA-N 0 0 384.237 3.103 10 30 GGEERN N#C[C@H](NC(=O)c1cc(=O)c2ccccc2[nH]1)c1ccc(Br)cc1 ZINC000499417623 567246541 /nfs/dbraw/zinc/24/65/41/567246541.db2.gz HVKGEEHVGDIPIY-INIZCTEOSA-N 0 0 382.217 3.285 10 30 GGEERN C=CCCOCC(=O)N1CC[C@H](Cc2cccc(I)c2)C1 ZINC000590767867 567246619 /nfs/dbraw/zinc/24/66/19/567246619.db2.gz SEABEKNWOXCQIR-OAHLLOKOSA-N 0 0 399.272 3.275 10 30 GGEERN N#C[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 ZINC000499417526 567246776 /nfs/dbraw/zinc/24/67/76/567246776.db2.gz HGEWEVUVEKNIQF-HNNXBMFYSA-N 0 0 387.233 3.144 10 30 GGEERN Cn1ncc(Br)c1CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000475425404 567246840 /nfs/dbraw/zinc/24/68/40/567246840.db2.gz SFOGZDSDMVQALE-UHFFFAOYSA-N 0 0 375.270 3.098 10 30 GGEERN Cc1nc2ccccc2n1CC(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000499419059 567246954 /nfs/dbraw/zinc/24/69/54/567246954.db2.gz ZALCQABJNHXFOC-MRXNPFEDSA-N 0 0 383.249 3.488 10 30 GGEERN Cc1[nH]nc2nc(C)cc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)c12 ZINC000499419821 567247127 /nfs/dbraw/zinc/24/71/27/567247127.db2.gz LPTMUMDLTKEFLE-AWEZNQCLSA-N 0 0 384.237 3.332 10 30 GGEERN N#C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000499441095 567247721 /nfs/dbraw/zinc/24/77/21/567247721.db2.gz YUWCMXCAUOAYLQ-AWEZNQCLSA-N 0 0 378.157 3.491 10 30 GGEERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000499433546 567248100 /nfs/dbraw/zinc/24/81/00/567248100.db2.gz QYRRYTDUAAQKEN-CQSZACIVSA-N 0 0 375.182 3.055 10 30 GGEERN N#C[C@H](NC(=O)c1ccc(N2CCCC2)nc1)c1ccc(Br)cc1 ZINC000499437332 567248107 /nfs/dbraw/zinc/24/81/07/567248107.db2.gz ROCXJEXLROQKSH-INIZCTEOSA-N 0 0 385.265 3.439 10 30 GGEERN CCC(CC)N1C[C@H](C(=O)N[C@@H](C#N)c2ccc(Br)cc2)CC1=O ZINC000499441957 567249873 /nfs/dbraw/zinc/24/98/73/567249873.db2.gz HRJMBADOVYJAPM-CJNGLKHVSA-N 0 0 392.297 3.167 10 30 GGEERN CCC[C@H](C)N1C[C@H](C(=O)N[C@H](C#N)c2ccc(Br)cc2)CC1=O ZINC000499446571 567249906 /nfs/dbraw/zinc/24/99/06/567249906.db2.gz VGERKEXCUBUWSB-JGGQBBKZSA-N 0 0 392.297 3.167 10 30 GGEERN C[C@H](O)CN(CC(F)F)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000455245834 567251690 /nfs/dbraw/zinc/25/16/90/567251690.db2.gz VMTFWOTVKMBAMD-JVXZTZIISA-N 0 0 376.272 3.226 10 30 GGEERN C[C@@H](O)CN(CC(F)F)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000455245835 567251746 /nfs/dbraw/zinc/25/17/46/567251746.db2.gz VMTFWOTVKMBAMD-KRTXAFLBSA-N 0 0 376.272 3.226 10 30 GGEERN CCn1c(CNC(=O)c2ccc(C#N)cn2)nc2cc(Br)ccc21 ZINC000567557606 567256334 /nfs/dbraw/zinc/25/63/34/567256334.db2.gz HZKTVMYLJRGCJG-UHFFFAOYSA-N 0 0 384.237 3.015 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)C1 ZINC000455275210 567256832 /nfs/dbraw/zinc/25/68/32/567256832.db2.gz QDSOXTPMEIHETN-ITDIGPHOSA-N 0 0 384.249 3.003 10 30 GGEERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1ccc(Br)cc1C#N ZINC000590993026 567259418 /nfs/dbraw/zinc/25/94/18/567259418.db2.gz KIQDTTNDWHISQF-PRHODGIISA-N 0 0 377.160 3.113 10 30 GGEERN Cc1nsc(NC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)c1C#N ZINC000590991919 567259881 /nfs/dbraw/zinc/25/98/81/567259881.db2.gz RQFZAIOVXCHHCM-UHFFFAOYSA-N 0 0 378.841 3.182 10 30 GGEERN COC(=O)[C@H](C)N(C(=O)CC1(C#N)CC1)c1ccc(Br)cc1C ZINC000590991749 567260301 /nfs/dbraw/zinc/26/03/01/567260301.db2.gz NBNQSLJTFPUQHJ-LBPRGKRZSA-N 0 0 379.254 3.346 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@H]2CCOc3c(Br)cccc32)cc1 ZINC000499652979 567263379 /nfs/dbraw/zinc/26/33/79/567263379.db2.gz JOLDSHVCDBCZIG-HNNXBMFYSA-N 0 0 393.262 3.123 10 30 GGEERN C[C@@H](C#N)CN(C)C(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000499674557 567264225 /nfs/dbraw/zinc/26/42/25/567264225.db2.gz FYQRMQKYYDNYIF-NSHDSACASA-N 0 0 388.269 3.139 10 30 GGEERN O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCO[C@H](CC(F)(F)F)C1 ZINC000660132218 567265982 /nfs/dbraw/zinc/26/59/82/567265982.db2.gz HLCQYWXDVKTREO-MRVPVSSYSA-N 0 0 395.296 3.186 10 30 GGEERN C=CCN(CCc1ccccc1)C(=O)NCc1nn(C)cc1Br ZINC000455380923 567267996 /nfs/dbraw/zinc/26/79/96/567267996.db2.gz UKLNHFVUVDXGEO-UHFFFAOYSA-N 0 0 377.286 3.123 10 30 GGEERN C[C@@H](C#N)CN(C)C(=O)NCc1ccc(I)cc1Cl ZINC000475684639 567268464 /nfs/dbraw/zinc/26/84/64/567268464.db2.gz KSKMULDEVCJUEL-VIFPVBQESA-N 0 0 391.640 3.246 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1c(C)[nH]c2ccc(Br)cc21 ZINC000567695035 567268993 /nfs/dbraw/zinc/26/89/93/567268993.db2.gz SYTZJJGZQVFFKW-SJCJKPOMSA-N 0 0 377.282 3.489 10 30 GGEERN N#CC1(CCC[N@@H+](CCO)Cc2cc(Br)cs2)CCOCC1 ZINC000499736497 567269675 /nfs/dbraw/zinc/26/96/75/567269675.db2.gz VUZGSGBLCKCMSY-UHFFFAOYSA-N 0 0 387.343 3.405 10 30 GGEERN N#CC1(CC(=O)N(CCCn2ccnc2)c2ccc(Br)cn2)CC1 ZINC000591313450 567274585 /nfs/dbraw/zinc/27/45/85/567274585.db2.gz FWWATXALUBUGKB-UHFFFAOYSA-N 0 0 388.269 3.158 10 30 GGEERN CN(CCOc1ccc(Cl)cc1)S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000567768439 567275879 /nfs/dbraw/zinc/27/58/79/567275879.db2.gz NPEZTTWATBDNMN-UHFFFAOYSA-N 0 0 378.881 3.247 10 30 GGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1ccc(Br)s1 ZINC000617043025 567278051 /nfs/dbraw/zinc/27/80/51/567278051.db2.gz YRBGIIKPPPEJQI-NEPJUHHUSA-N 0 0 385.327 3.492 10 30 GGEERN CCn1cc(Br)c(=O)c(NC(=O)C2(c3ccc(C#N)cc3)CC2)c1 ZINC000548078115 567278405 /nfs/dbraw/zinc/27/84/05/567278405.db2.gz OZYZWNFSBIUJFP-UHFFFAOYSA-N 0 0 386.249 3.173 10 30 GGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000617038480 567278398 /nfs/dbraw/zinc/27/83/98/567278398.db2.gz XPXUQIZUEKCITR-STQMWFEESA-N 0 0 383.286 3.365 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@H](c2cccnc2)C2CC2)cc1Br ZINC000433856744 567278832 /nfs/dbraw/zinc/27/88/32/567278832.db2.gz BFJDRSIFKJJACC-INIZCTEOSA-N 0 0 392.278 3.145 10 30 GGEERN CC[C@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)c1nccs1 ZINC000433872714 567279648 /nfs/dbraw/zinc/27/96/48/567279648.db2.gz AFENTJBUKSREIQ-LBPRGKRZSA-N 0 0 386.296 3.207 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCC(F)(F)C2)cc1Br ZINC000433865068 567280148 /nfs/dbraw/zinc/28/01/48/567280148.db2.gz NJUXOVYDTZKXKG-SNVBAGLBSA-N 0 0 379.226 3.177 10 30 GGEERN N#CC[C@@H]1CC[C@H](N2C(=O)[C@H]3Cc4c(Br)cccc4CN3C2=O)C1 ZINC000591422915 567281441 /nfs/dbraw/zinc/28/14/41/567281441.db2.gz KOYXZZXRQXPAQR-DETPVDSQSA-N 0 0 388.265 3.220 10 30 GGEERN C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCSC2)C1 ZINC000567859225 567284970 /nfs/dbraw/zinc/28/49/70/567284970.db2.gz YERRRJIYSSKFSA-GOSISDBHSA-N 0 0 376.913 3.497 10 30 GGEERN Cc1cc(Br)cc2c1CN([C@@H](C)C(=O)NC1(C#N)CCC1)CC2 ZINC000526057939 567286526 /nfs/dbraw/zinc/28/65/26/567286526.db2.gz BMIIFKKNCMJAPF-ZDUSSCGKSA-N 0 0 376.298 3.067 10 30 GGEERN CN(C)S(=O)(=O)c1ccc(COc2ccc(C(F)(F)F)c(C#N)c2)s1 ZINC000591600531 567288267 /nfs/dbraw/zinc/28/82/67/567288267.db2.gz LWDNDWXJGUNFMS-UHFFFAOYSA-N 0 0 390.408 3.468 10 30 GGEERN C=C[C@@](C)(O)CC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000685659906 567292295 /nfs/dbraw/zinc/29/22/95/567292295.db2.gz BLBWSEPYPGUTKV-GOSISDBHSA-N 0 0 381.259 3.469 10 30 GGEERN Cc1nccc(NC(=O)CSCc2ccc(C#N)cc2)c1Br ZINC000526099931 567293436 /nfs/dbraw/zinc/29/34/36/567293436.db2.gz QZGDCHMLULVOLU-UHFFFAOYSA-N 0 0 376.279 3.318 10 30 GGEERN C=CCCO[C@@H](C)C(=O)N[C@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000476105940 567297072 /nfs/dbraw/zinc/29/70/72/567297072.db2.gz DDQUGWDLNAQEKD-SCLBCKFNSA-N 0 0 398.297 3.325 10 30 GGEERN COc1ccc(NC(=O)N(C[C@@H](C)C#N)C2CC2)c(I)c1 ZINC000434171366 567297275 /nfs/dbraw/zinc/29/72/75/567297275.db2.gz YJONYEHDIDMUCX-JTQLQIEISA-N 0 0 399.232 3.456 10 30 GGEERN Cc1c(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)ccc(Br)c1C#N ZINC000591862612 567302524 /nfs/dbraw/zinc/30/25/24/567302524.db2.gz LDGGBAIBZDSJMR-BBRMVZONSA-N 0 0 394.294 3.022 10 30 GGEERN C=CCCC1(CNC(=O)CNC(=O)c2ccc(Br)o2)CCCC1 ZINC000617415285 567305672 /nfs/dbraw/zinc/30/56/72/567305672.db2.gz FNHMFYNTGYNFCM-UHFFFAOYSA-N 0 0 383.286 3.415 10 30 GGEERN CC(C)(C)OC(=O)C1(CNc2ncc(Br)cc2C#N)CCOCC1 ZINC000591970393 567306692 /nfs/dbraw/zinc/30/66/92/567306692.db2.gz CVYMEJYTFRDUGX-UHFFFAOYSA-N 0 0 396.285 3.266 10 30 GGEERN C=CCCC1(CNC(=O)c2nc3ncc(Br)cn3n2)CCCC1 ZINC000617416604 567307598 /nfs/dbraw/zinc/30/75/98/567307598.db2.gz YGUCENFDFRVXJN-UHFFFAOYSA-N 0 0 378.274 3.143 10 30 GGEERN C=CCCC1(CNC(=O)c2cc(Cl)sc2S(N)(=O)=O)CCCC1 ZINC000617417734 567307624 /nfs/dbraw/zinc/30/76/24/567307624.db2.gz DFWDUYWNTBBAJQ-UHFFFAOYSA-N 0 0 376.931 3.305 10 30 GGEERN COCCN(Cc1ccc(Br)s1)C(=O)c1cc(O)cc(C#N)c1 ZINC000617419196 567308225 /nfs/dbraw/zinc/30/82/25/567308225.db2.gz YNVXKQUYKNOMKM-UHFFFAOYSA-N 0 0 395.278 3.377 10 30 GGEERN CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cnc(OC)c(Cl)c1 ZINC000592017077 567308623 /nfs/dbraw/zinc/30/86/23/567308623.db2.gz FDGSJXOOJQWIER-LBPRGKRZSA-N 0 0 379.869 3.387 10 30 GGEERN CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cnc(OC)c(Cl)c1 ZINC000592017065 567308669 /nfs/dbraw/zinc/30/86/69/567308669.db2.gz FDGSJXOOJQWIER-GFCCVEGCSA-N 0 0 379.869 3.387 10 30 GGEERN CCOc1cc(C#N)cc(Br)c1OCC(=O)NC1(C(F)F)CC1 ZINC000500255506 567309807 /nfs/dbraw/zinc/30/98/07/567309807.db2.gz BIQBYKLFWZKDNZ-UHFFFAOYSA-N 0 0 389.196 3.012 10 30 GGEERN C[C@H](NS(=O)(=O)Cc1ccc(CC#N)cc1)c1ccc(Br)cn1 ZINC000592048443 567311026 /nfs/dbraw/zinc/31/10/26/567311026.db2.gz QHIJPEGJXAQKNM-LBPRGKRZSA-N 0 0 394.294 3.091 10 30 GGEERN COc1ncc(S(=O)(=O)N[C@H](CCCC#N)c2ccccc2)cc1Cl ZINC000592054098 567311111 /nfs/dbraw/zinc/31/11/11/567311111.db2.gz MIBCMAVAGAEWCS-MRXNPFEDSA-N 0 0 379.869 3.457 10 30 GGEERN CN(CC(C)(C)C#N)S(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000592054266 567311235 /nfs/dbraw/zinc/31/12/35/567311235.db2.gz XANJOYPOIGSQGW-UHFFFAOYSA-N 0 0 384.299 3.111 10 30 GGEERN N#Cc1cccc(CC(=O)NCc2nc(-c3cccc(Br)c3)no2)c1 ZINC000548398404 567312465 /nfs/dbraw/zinc/31/24/65/567312465.db2.gz JMBPIULFFZOQHW-UHFFFAOYSA-N 0 0 397.232 3.230 10 30 GGEERN C[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)[C@H]1Oc2ccccc2[C@H]1C ZINC000476312027 567313603 /nfs/dbraw/zinc/31/36/03/567313603.db2.gz RBMBXXUFRRZWDT-SOZUMNATSA-N 0 0 376.865 3.443 10 30 GGEERN C=CCN(C)C(=O)C(=O)Nc1cc(Cl)cc(Br)c1OCC ZINC000527094858 567313952 /nfs/dbraw/zinc/31/39/52/567313952.db2.gz ZFPNSKFXXJQKKF-UHFFFAOYSA-N 0 0 375.650 3.084 10 30 GGEERN CCCCN([C@@H]1CCc2ncsc2C1)S(=O)(=O)c1ccccc1C#N ZINC000592108809 567314271 /nfs/dbraw/zinc/31/42/71/567314271.db2.gz SOUSFSXRZHVVQY-OAHLLOKOSA-N 0 0 375.519 3.363 10 30 GGEERN Cc1cc(Br)ccc1CN(C)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000434612581 567315509 /nfs/dbraw/zinc/31/55/09/567315509.db2.gz UFQCSOSFXITUMJ-UHFFFAOYSA-N 0 0 386.249 3.226 10 30 GGEERN CC(C)(C)OC(=O)[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000592117010 567316012 /nfs/dbraw/zinc/31/60/12/567316012.db2.gz PFGQAVTWPSBUER-YPMHNXCESA-N 0 0 384.885 3.000 10 30 GGEERN COc1ccc(Br)cc1C1(NCC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000592137598 567316071 /nfs/dbraw/zinc/31/60/71/567316071.db2.gz JQLQLFSDWIFGFM-QGZVFWFLSA-N 0 0 394.313 3.091 10 30 GGEERN CC(C)(C)OC(=O)[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000592115723 567316178 /nfs/dbraw/zinc/31/61/78/567316178.db2.gz ITXIZBZMSNBLLH-OLZOCXBDSA-N 0 0 384.885 3.000 10 30 GGEERN COc1ccccc1[C@]1(C)C[C@@H]1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476337137 567316339 /nfs/dbraw/zinc/31/63/39/567316339.db2.gz JWWAPKTVMNOQEA-ROUUACIJSA-N 0 0 376.865 3.229 10 30 GGEERN C[C@H]([C@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476409255 567321471 /nfs/dbraw/zinc/32/14/71/567321471.db2.gz KDPPSHQPTRKXHH-SJKOYZFVSA-N 0 0 376.865 3.224 10 30 GGEERN N#Cc1ccc(NC(=O)N2CCO[C@@]3(CCSC3)C2)cc1Br ZINC000592258766 567326749 /nfs/dbraw/zinc/32/67/49/567326749.db2.gz WKNXJYXYGSUUTB-HNNXBMFYSA-N 0 0 382.283 3.061 10 30 GGEERN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000434769419 567327285 /nfs/dbraw/zinc/32/72/85/567327285.db2.gz VXENJJMRTXTBJK-GFCCVEGCSA-N 0 0 375.519 3.483 10 30 GGEERN N#CC1(CS(=O)(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)CCC1 ZINC000568446729 567328831 /nfs/dbraw/zinc/32/88/31/567328831.db2.gz SBQPVDSMXPBNKD-AWEZNQCLSA-N 0 0 375.519 3.499 10 30 GGEERN CN(C1(C#N)CCCC1)S(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000592382117 567333635 /nfs/dbraw/zinc/33/36/35/567333635.db2.gz JXJMWUCMMQMWAN-UHFFFAOYSA-N 0 0 396.310 3.398 10 30 GGEERN CC(C)[C@@H](CC(F)(F)F)NC(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000527345033 567333850 /nfs/dbraw/zinc/33/38/50/567333850.db2.gz IRUJCMGHJUDNTF-SNVBAGLBSA-N 0 0 381.336 3.191 10 30 GGEERN N#Cc1ccc(NS(=O)(=O)CCCC2CCOCC2)cc1Br ZINC000592384335 567334939 /nfs/dbraw/zinc/33/49/39/567334939.db2.gz SEDCNCGJLONOMJ-UHFFFAOYSA-N 0 0 387.299 3.269 10 30 GGEERN N#CC1(NC(=O)c2ncccc2Br)CCN(Cc2ccccc2)CC1 ZINC000476555227 567335101 /nfs/dbraw/zinc/33/51/01/567335101.db2.gz ZQLMQGXRVBQKPS-UHFFFAOYSA-N 0 0 399.292 3.132 10 30 GGEERN N#Cc1cc(Br)ccc1C(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000456083497 567338598 /nfs/dbraw/zinc/33/85/98/567338598.db2.gz BIDMWRNICJVKQG-BBWFWOEESA-N 0 0 377.282 3.476 10 30 GGEERN C=CCOCCCNC(=O)N[C@@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000660987153 567338637 /nfs/dbraw/zinc/33/86/37/567338637.db2.gz RAZHGBKYKOLCIF-BBRMVZONSA-N 0 0 385.302 3.417 10 30 GGEERN C=CCOCCCNC(=O)N[C@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC000660987155 567338887 /nfs/dbraw/zinc/33/88/87/567338887.db2.gz RAZHGBKYKOLCIF-CZUORRHYSA-N 0 0 385.302 3.417 10 30 GGEERN N#Cc1cc(Br)c(OC[C@@H](O)C(F)(F)F)c(Br)c1 ZINC000592446739 567339701 /nfs/dbraw/zinc/33/97/01/567339701.db2.gz SXHZSYAKYOOACX-MRVPVSSYSA-N 0 0 388.965 3.385 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)c(F)c1 ZINC000568585160 567340382 /nfs/dbraw/zinc/34/03/82/567340382.db2.gz WUMGVJJRMWYYNR-AWEZNQCLSA-N 0 0 376.306 3.260 10 30 GGEERN Cc1cc(Br)cc2c1CN(Cc1cnc3c(C#N)cnn3c1)CC2 ZINC000592504639 567342381 /nfs/dbraw/zinc/34/23/81/567342381.db2.gz AXSNHWUPBIDUFH-UHFFFAOYSA-N 0 0 382.265 3.230 10 30 GGEERN COc1ccc(Br)cc1C1(NCc2cnc3c(C#N)cnn3c2)CC1 ZINC000592518955 567344493 /nfs/dbraw/zinc/34/44/93/567344493.db2.gz APSPJZOZDCIAPX-UHFFFAOYSA-N 0 0 398.264 3.151 10 30 GGEERN C=CCOCCCNC(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000661074363 567345777 /nfs/dbraw/zinc/34/57/77/567345777.db2.gz SKNRWQYYRQWVEJ-UHFFFAOYSA-N 0 0 393.285 3.027 10 30 GGEERN C[C@@H](CCc1ccc(I)cc1)CC(=O)N(CC#N)CC#N ZINC000592595204 567347750 /nfs/dbraw/zinc/34/77/50/567347750.db2.gz VZUQMWNGTIDWPH-ZDUSSCGKSA-N 0 0 395.244 3.126 10 30 GGEERN C[C@H](CCc1ccc(I)cc1)CC(=O)NC1(C#N)CC1 ZINC000592609054 567349266 /nfs/dbraw/zinc/34/92/66/567349266.db2.gz CZOHYGBDYQTSIV-GFCCVEGCSA-N 0 0 382.245 3.422 10 30 GGEERN CC(C)[C@@](C)(C#N)NC(=O)CN1CCc2ccc(F)c(Br)c2C1 ZINC000527621407 567350292 /nfs/dbraw/zinc/35/02/92/567350292.db2.gz LDXJMZFHSKBOEK-QGZVFWFLSA-N 0 0 382.277 3.001 10 30 GGEERN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCc2ccc(F)c(Br)c2C1 ZINC000527621211 567350522 /nfs/dbraw/zinc/35/05/22/567350522.db2.gz HZODZKFVFULSLV-KZULUSFZSA-N 0 0 396.304 3.389 10 30 GGEERN Cc1c(C#N)c(NC(=O)CCOc2ccc(Cl)cc2Br)nn1C ZINC000592644959 567352460 /nfs/dbraw/zinc/35/24/60/567352460.db2.gz ABIDVGLLOSKEKP-UHFFFAOYSA-N 0 0 397.660 3.424 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)c1ccc(Br)cc1OC ZINC000568755959 567353855 /nfs/dbraw/zinc/35/38/55/567353855.db2.gz VRKKOFPIMAKERS-XUJVJEKNSA-N 0 0 383.286 3.409 10 30 GGEERN C[C@H](C#N)CN(C(=O)C(=O)Nc1cccc(Br)c1Cl)C1CC1 ZINC000568773017 567355065 /nfs/dbraw/zinc/35/50/65/567355065.db2.gz DGFMKTAMPCZBAU-SECBINFHSA-N 0 0 384.661 3.192 10 30 GGEERN C[C@@H](C#N)CN(C(=O)C(=O)Nc1cccc(Br)c1Cl)C1CC1 ZINC000568773021 567355202 /nfs/dbraw/zinc/35/52/02/567355202.db2.gz DGFMKTAMPCZBAU-VIFPVBQESA-N 0 0 384.661 3.192 10 30 GGEERN CC[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1csc(C)c1 ZINC000592729949 567358241 /nfs/dbraw/zinc/35/82/41/567358241.db2.gz ONZQHKODCBQNBL-QGZVFWFLSA-N 0 0 376.503 3.111 10 30 GGEERN CCn1nc(C(F)(F)F)c(C(=O)NCCO[C@@H]2CC2(F)F)c1C(F)F ZINC000618131686 567358805 /nfs/dbraw/zinc/35/88/05/567358805.db2.gz JKKLQEMKCFXJMI-ZCFIWIBFSA-N 0 0 377.260 3.013 10 30 GGEERN CCn1nc(C(F)(F)F)c(C(=O)NCCO[C@H]2CC2(F)F)c1C(F)F ZINC000618131685 567358912 /nfs/dbraw/zinc/35/89/12/567358912.db2.gz JKKLQEMKCFXJMI-LURJTMIESA-N 0 0 377.260 3.013 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2cccs2)C1 ZINC000592745912 567359668 /nfs/dbraw/zinc/35/96/68/567359668.db2.gz LEIFNHRJKOUFLF-UHFFFAOYSA-N 0 0 376.279 3.135 10 30 GGEERN N#Cc1cccc(N2CCN(Cc3c(F)ccc(Br)c3F)CC2)n1 ZINC000501036665 567359876 /nfs/dbraw/zinc/35/98/76/567359876.db2.gz NNIDYEGSEDUXSG-UHFFFAOYSA-N 0 0 393.235 3.316 10 30 GGEERN Cc1noc(C)c1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592755507 567360671 /nfs/dbraw/zinc/36/06/71/567360671.db2.gz SCKSMKVWBLPIHX-UHFFFAOYSA-N 0 0 375.226 3.001 10 30 GGEERN CC[C@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1ccncc1 ZINC000592770128 567361961 /nfs/dbraw/zinc/36/19/61/567361961.db2.gz SCJDTANFRANMFX-KRWDZBQOSA-N 0 0 399.292 3.419 10 30 GGEERN N#CC1CCC(CNC(=O)c2cccc(F)c2I)CC1 ZINC000548926335 567361963 /nfs/dbraw/zinc/36/19/63/567361963.db2.gz AGXVSTVJVSDQEG-UHFFFAOYSA-N 0 0 386.208 3.490 10 30 GGEERN CCc1noc(C)c1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592780525 567362078 /nfs/dbraw/zinc/36/20/78/567362078.db2.gz ZXSPXBGZNHGPAA-UHFFFAOYSA-N 0 0 389.253 3.255 10 30 GGEERN C[C@@H](CC(F)(F)F)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592787478 567362174 /nfs/dbraw/zinc/36/21/74/567362174.db2.gz FLZQMJAXXUUTDS-VIFPVBQESA-N 0 0 390.203 3.214 10 30 GGEERN N#Cc1ccsc1C(=O)Nc1cc(N2CCOCC2)ccc1Br ZINC000456319360 567362209 /nfs/dbraw/zinc/36/22/09/567362209.db2.gz ZXSQFMZYSBWUDN-UHFFFAOYSA-N 0 0 392.278 3.471 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H]2CCC(F)(F)C2)C1 ZINC000592775084 567362286 /nfs/dbraw/zinc/36/22/86/567362286.db2.gz FVNKTIULPFCOKO-CYBMUJFWSA-N 0 0 384.224 3.061 10 30 GGEERN Cc1nc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cs1 ZINC000592780453 567362354 /nfs/dbraw/zinc/36/23/54/567362354.db2.gz XBKXDTXEUOTGJE-UHFFFAOYSA-N 0 0 377.267 3.161 10 30 GGEERN N#CCN1CCC(CNC(=O)c2cc3c(cncc3Br)s2)CC1 ZINC000592766673 567362361 /nfs/dbraw/zinc/36/23/61/567362361.db2.gz BRYUIMLTXZLKMY-UHFFFAOYSA-N 0 0 393.310 3.024 10 30 GGEERN Cc1cccc(N(C)C(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1 ZINC000592766273 567362592 /nfs/dbraw/zinc/36/25/92/567362592.db2.gz NWFRWIIBVPJNIY-UHFFFAOYSA-N 0 0 385.265 3.123 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H]2CCCC2(F)F)C1 ZINC000592799912 567363663 /nfs/dbraw/zinc/36/36/63/567363663.db2.gz ODTWUVIGPXSUPC-CQSZACIVSA-N 0 0 384.224 3.061 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)NCCC2CC(F)(F)C2)C1 ZINC000592804961 567363812 /nfs/dbraw/zinc/36/38/12/567363812.db2.gz WWUVPYMBAFBAPE-UHFFFAOYSA-N 0 0 398.251 3.309 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H]2CCCC2(F)F)C1 ZINC000592799911 567364127 /nfs/dbraw/zinc/36/41/27/567364127.db2.gz ODTWUVIGPXSUPC-AWEZNQCLSA-N 0 0 384.224 3.061 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCC(Oc3ccc(F)cc3F)CC2)s1 ZINC000435431076 567365067 /nfs/dbraw/zinc/36/50/67/567365067.db2.gz GQPXSQHXKZDIJQ-UHFFFAOYSA-N 0 0 384.429 3.130 10 30 GGEERN C=CCC1(NC(=O)Cc2noc3ccc(Br)cc23)CCOCC1 ZINC000618251132 567367102 /nfs/dbraw/zinc/36/71/02/567367102.db2.gz AFJOZIYPUGGYGM-UHFFFAOYSA-N 0 0 379.254 3.374 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000661336272 567367220 /nfs/dbraw/zinc/36/72/20/567367220.db2.gz JWNAQDGWXUEZFF-GUYCJALGSA-N 0 0 384.307 3.416 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)s1 ZINC000435442145 567367463 /nfs/dbraw/zinc/36/74/63/567367463.db2.gz GXRJQFRCLJBIAL-JTQLQIEISA-N 0 0 375.258 3.339 10 30 GGEERN Cc1ccc(C)c([C@@H]2CN(S(=O)(=O)c3ccc(C#N)s3)[C@H](C)CO2)c1 ZINC000435440241 567368703 /nfs/dbraw/zinc/36/87/03/567368703.db2.gz UXUIIRRVSNHRLO-PBHICJAKSA-N 0 0 376.503 3.387 10 30 GGEERN C=CCOc1c(Br)cc(CNCc2cnn(CC)n2)cc1OCC ZINC000527733125 567370206 /nfs/dbraw/zinc/37/02/06/567370206.db2.gz HOFHYZCHNJLWOA-UHFFFAOYSA-N 0 0 395.301 3.314 10 30 GGEERN Cc1cc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)sn1 ZINC000592946219 567374175 /nfs/dbraw/zinc/37/41/75/567374175.db2.gz WUCWRHAGFMXYLT-UHFFFAOYSA-N 0 0 377.267 3.161 10 30 GGEERN N#Cc1cc(C(=O)NCc2ccc(I)c(Cl)c2)ccn1 ZINC000501253157 567374734 /nfs/dbraw/zinc/37/47/34/567374734.db2.gz LJFDERJBIXUSKG-UHFFFAOYSA-N 0 0 397.603 3.141 10 30 GGEERN C=C(C)[C@@H]1OCC[C@H]1CNc1ncnc2cccc(I)c21 ZINC000435583907 567375377 /nfs/dbraw/zinc/37/53/77/567375377.db2.gz IVSWIEGCXDIGME-NHYWBVRUSA-N 0 0 395.244 3.049 10 30 GGEERN C=C(C)[C@H]1OCC[C@@H]1CNc1ncnc2cccc(I)c21 ZINC000435583906 567375728 /nfs/dbraw/zinc/37/57/28/567375728.db2.gz IVSWIEGCXDIGME-IAQYHMDHSA-N 0 0 395.244 3.049 10 30 GGEERN C=C(C)[C@@H]1OCC[C@@H]1CNc1ncnc2cccc(I)c21 ZINC000435583905 567375884 /nfs/dbraw/zinc/37/58/84/567375884.db2.gz IVSWIEGCXDIGME-ABAIWWIYSA-N 0 0 395.244 3.049 10 30 GGEERN N#Cc1ccncc1N1CCN(CCOc2c(Cl)cccc2Cl)CC1 ZINC000569062259 567377221 /nfs/dbraw/zinc/37/72/21/567377221.db2.gz DPGJAHPCWLGXSM-UHFFFAOYSA-N 0 0 377.275 3.461 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NCc1ccnc(N2CCCC2)c1 ZINC000593019128 567378372 /nfs/dbraw/zinc/37/83/72/567378372.db2.gz ONZPHRVIWNINHD-UHFFFAOYSA-N 0 0 399.292 3.175 10 30 GGEERN N#CCCN(CCC#N)C(=O)CNC1(c2ccccc2Br)CCC1 ZINC000593039373 567380897 /nfs/dbraw/zinc/38/08/97/567380897.db2.gz KMSBXCWOLHNJRZ-UHFFFAOYSA-N 0 0 389.297 3.074 10 30 GGEERN Cc1cc(NC(=O)[C@H]2CCOc3ccc(Br)cc32)n(CCC#N)n1 ZINC000593040635 567380908 /nfs/dbraw/zinc/38/09/08/567380908.db2.gz XDSUTRFQVZKZDG-ZDUSSCGKSA-N 0 0 389.253 3.373 10 30 GGEERN C[C@](C#N)(NC(=O)CNC1(c2ccccc2Br)CCC1)C1CC1 ZINC000593041139 567381116 /nfs/dbraw/zinc/38/11/16/567381116.db2.gz WZESJBQXHRLUAJ-QGZVFWFLSA-N 0 0 376.298 3.226 10 30 GGEERN CCn1nc(C)c(CNC(=O)Cc2ccc(Br)cc2C#N)c1C ZINC000593048908 567381188 /nfs/dbraw/zinc/38/11/88/567381188.db2.gz MCBNGACZSJKAEB-UHFFFAOYSA-N 0 0 375.270 3.013 10 30 GGEERN CCN(c1cccnc1C)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000435642918 567381786 /nfs/dbraw/zinc/38/17/86/567381786.db2.gz ASYVKPFGNLUXJD-UHFFFAOYSA-N 0 0 380.267 3.239 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NC[C@@H]1OCCc2ccccc21 ZINC000593059852 567382368 /nfs/dbraw/zinc/38/23/68/567382368.db2.gz MVEUOUGVFGJPGQ-SFHVURJKSA-N 0 0 385.261 3.293 10 30 GGEERN N#Cc1ccc(Sc2nnc3ccc(Br)cn32)cc1[N+](=O)[O-] ZINC000549270128 567382754 /nfs/dbraw/zinc/38/27/54/567382754.db2.gz ZXEUETFLCSMJRZ-UHFFFAOYSA-N 0 0 376.195 3.423 10 30 GGEERN C[C@@H](NC(=O)Cc1ccc(Br)cc1C#N)c1nc(C(C)(C)C)no1 ZINC000593075120 567383866 /nfs/dbraw/zinc/38/38/66/567383866.db2.gz BDTKSLFXLRBFNL-SNVBAGLBSA-N 0 0 391.269 3.421 10 30 GGEERN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593080679 567383998 /nfs/dbraw/zinc/38/39/98/567383998.db2.gz OXTDWPFOAKZQEO-LNPFQXMTSA-N 0 0 397.338 3.059 10 30 GGEERN CCO[C@H]1C[C@H](NC(=O)Cc2ccc(Br)cc2C#N)C12CCC2 ZINC000593069429 567384518 /nfs/dbraw/zinc/38/45/18/567384518.db2.gz LXNABEBHDCKJBG-HOTGVXAUSA-N 0 0 377.282 3.327 10 30 GGEERN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593080682 567384522 /nfs/dbraw/zinc/38/45/22/567384522.db2.gz OXTDWPFOAKZQEO-SYJLOODJSA-N 0 0 397.338 3.059 10 30 GGEERN CC(C)(C)n1cc(C#N)c(NC(=O)Cc2ccc(Br)cc2C#N)n1 ZINC000593079194 567384528 /nfs/dbraw/zinc/38/45/28/567384528.db2.gz BJZJMDOELYZMHM-UHFFFAOYSA-N 0 0 386.253 3.325 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000593099371 567385025 /nfs/dbraw/zinc/38/50/25/567385025.db2.gz IVRVPHCVRQDJIV-INIZCTEOSA-N 0 0 377.282 3.471 10 30 GGEERN CC[C@@H](NC(=O)Cc1ccc(Br)cc1C#N)C(=O)OC(C)(C)C ZINC000593093521 567385158 /nfs/dbraw/zinc/38/51/58/567385158.db2.gz BQXZILZEGGFYOO-CQSZACIVSA-N 0 0 381.270 3.100 10 30 GGEERN CCC(CC)(CC(=O)OC)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593082223 567385649 /nfs/dbraw/zinc/38/56/49/567385649.db2.gz UEMSBSFJJFKSIJ-UHFFFAOYSA-N 0 0 381.270 3.101 10 30 GGEERN COCCN(Cc1ccc(C)o1)C(=O)Cc1ccc(Br)cc1C#N ZINC000593089012 567385627 /nfs/dbraw/zinc/38/56/27/567385627.db2.gz HBRJHCHZZPNCBE-UHFFFAOYSA-N 0 0 391.265 3.440 10 30 GGEERN COC[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593084485 567385849 /nfs/dbraw/zinc/38/58/49/567385849.db2.gz QSOFBSNYWUDBHO-GOSISDBHSA-N 0 0 387.277 3.237 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000593103585 567386459 /nfs/dbraw/zinc/38/64/59/567386459.db2.gz SHWNUNPNAXGFDI-NXHRZFHOSA-N 0 0 389.293 3.327 10 30 GGEERN N#CC1(NC(=O)[C@@H]2CCOc3ccc(Br)cc32)CCSCC1 ZINC000593107655 567386495 /nfs/dbraw/zinc/38/64/95/567386495.db2.gz MCOZIVLXSIOOCT-GFCCVEGCSA-N 0 0 381.295 3.221 10 30 GGEERN CCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C[C@@H](C)C#N ZINC000549341067 567386658 /nfs/dbraw/zinc/38/66/58/567386658.db2.gz HWQFCYSMQNHWNV-NSHDSACASA-N 0 0 378.274 3.332 10 30 GGEERN N#CC1(NC(=O)[C@H]2CCOc3ccc(Br)cc32)CCSCC1 ZINC000593107656 567387023 /nfs/dbraw/zinc/38/70/23/567387023.db2.gz MCOZIVLXSIOOCT-LBPRGKRZSA-N 0 0 381.295 3.221 10 30 GGEERN CN(C(=O)Cc1ccc(Br)cc1C#N)[C@H]1CCCc2c1cnn2C ZINC000593104656 567387044 /nfs/dbraw/zinc/38/70/44/567387044.db2.gz HELNRXUWTGJFSO-INIZCTEOSA-N 0 0 387.281 3.133 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000593104892 567387136 /nfs/dbraw/zinc/38/71/36/567387136.db2.gz LNSAYNABOJYVTR-CABCVRRESA-N 0 0 377.282 3.138 10 30 GGEERN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CSC1(C)C ZINC000549334218 567387103 /nfs/dbraw/zinc/38/71/03/567387103.db2.gz DNRCYHUUGNYBMW-CYBMUJFWSA-N 0 0 399.310 3.108 10 30 GGEERN COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593108488 567387330 /nfs/dbraw/zinc/38/73/30/567387330.db2.gz WLHYJUVKGCKBCH-CRAIPNDOSA-N 0 0 393.281 3.101 10 30 GGEERN N#Cc1cccc2c1CN([C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000593125232 567388469 /nfs/dbraw/zinc/38/84/69/567388469.db2.gz BXYDDBQQVXQMHD-SFHVURJKSA-N 0 0 382.261 3.442 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(Br)c(F)c1F ZINC000528026269 567389262 /nfs/dbraw/zinc/38/92/62/567389262.db2.gz OFJVDMRTUAETJX-CABZTGNLSA-N 0 0 375.213 3.118 10 30 GGEERN Cn1nc([C@H]2CCCO2)cc1NC(=O)Cc1ccc(Br)cc1C#N ZINC000593141739 567390078 /nfs/dbraw/zinc/39/00/78/567390078.db2.gz VZZDDWWEQNILCI-OAHLLOKOSA-N 0 0 389.253 3.087 10 30 GGEERN C=CCN(CC=C)C(=O)CN1CCOC[C@@H]1c1cccc(Br)c1 ZINC000661729276 567390464 /nfs/dbraw/zinc/39/04/64/567390464.db2.gz LOHVLGLIAXYQTM-QGZVFWFLSA-N 0 0 379.298 3.023 10 30 GGEERN C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593152551 567391013 /nfs/dbraw/zinc/39/10/13/567391013.db2.gz AODARAVLLXUVMF-ZANVPECISA-N 0 0 391.187 3.041 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCOC[C@@H](C2CCC2)C1 ZINC000593162581 567391094 /nfs/dbraw/zinc/39/10/94/567391094.db2.gz KXYABNKKUHKMNF-INIZCTEOSA-N 0 0 377.282 3.138 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000593159706 567391616 /nfs/dbraw/zinc/39/16/16/567391616.db2.gz HZCGTPGUYFANGN-WMZOPIPTSA-N 0 0 389.293 3.423 10 30 GGEERN CCOC(=O)C(CC)(CC)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593163244 567391771 /nfs/dbraw/zinc/39/17/71/567391771.db2.gz PJKVPLNIHUVTDK-UHFFFAOYSA-N 0 0 381.270 3.101 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCOCC12CCCCC2 ZINC000593169507 567392104 /nfs/dbraw/zinc/39/21/04/567392104.db2.gz ZJLAZUFGUFJHDK-UHFFFAOYSA-N 0 0 377.282 3.425 10 30 GGEERN CC(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1 ZINC000549451480 567392424 /nfs/dbraw/zinc/39/24/24/567392424.db2.gz LSNJBZSESFRFMO-OAHLLOKOSA-N 0 0 390.285 3.092 10 30 GGEERN COc1cccc2c1CN(C(=O)Cc1ccc(Br)cc1C#N)CC2 ZINC000593168944 567392422 /nfs/dbraw/zinc/39/24/22/567392422.db2.gz DGMNERGVFBMEHG-UHFFFAOYSA-N 0 0 385.261 3.457 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1NC[C@H](CO)c1cccnc1 ZINC000569284307 567392540 /nfs/dbraw/zinc/39/25/40/567392540.db2.gz CMUQNHMCHFCBTK-CQSZACIVSA-N 0 0 383.249 3.452 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCOC[C@H]1CC1CCC1 ZINC000593165357 567392475 /nfs/dbraw/zinc/39/24/75/567392475.db2.gz DWNVHOFXAMOZCR-QGZVFWFLSA-N 0 0 377.282 3.281 10 30 GGEERN CC(C)[C@@H]1C[C@H](CNC(=O)Cc2ccc(Br)cc2C#N)CCO1 ZINC000593167689 567392840 /nfs/dbraw/zinc/39/28/40/567392840.db2.gz DNOXZLOKJDHXFD-DYVFJYSZSA-N 0 0 379.298 3.431 10 30 GGEERN N#Cc1sccc1S(=O)(=O)[N-]c1ccc(C(=O)NC2CCCC2)cc1 ZINC000593193694 567394244 /nfs/dbraw/zinc/39/42/44/567394244.db2.gz HEBHFISPYOHOAN-UHFFFAOYSA-N 0 0 375.475 3.093 10 30 GGEERN C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)CC2(CCCC2)O1 ZINC000593181054 567394401 /nfs/dbraw/zinc/39/44/01/567394401.db2.gz GFMSKJJFOFZJGJ-CYBMUJFWSA-N 0 0 377.282 3.423 10 30 GGEERN C=CCC[C@H](NC(=O)c1c(F)ccc(Br)c1F)C(=O)OCC ZINC000456601348 567394683 /nfs/dbraw/zinc/39/46/83/567394683.db2.gz FYHRRHFZWQTBEP-NSHDSACASA-N 0 0 376.197 3.355 10 30 GGEERN C=C(C)C[C@H](C)C(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000456592083 567394794 /nfs/dbraw/zinc/39/47/94/567394794.db2.gz PMXMPVWMWIEGKW-ZDUSSCGKSA-N 0 0 381.318 3.137 10 30 GGEERN COc1ccc(CN2c3ccc(Br)cc3CS2(=O)=O)cc1C#N ZINC000549514613 567395359 /nfs/dbraw/zinc/39/53/59/567395359.db2.gz UPHMCPVDEJEVEJ-UHFFFAOYSA-N 0 0 393.262 3.179 10 30 GGEERN N#Cc1cncnc1N1CC[C@H](Cc2cccc(I)c2)C1 ZINC000569335609 567396105 /nfs/dbraw/zinc/39/61/05/567396105.db2.gz ZANRBBPUFBZJTP-CYBMUJFWSA-N 0 0 390.228 3.022 10 30 GGEERN C=CCOCCCNC(=O)C1(c2ccc(Br)cc2)CCOCC1 ZINC000618522811 567396423 /nfs/dbraw/zinc/39/64/23/567396423.db2.gz UWKPQMIQNUOYKI-UHFFFAOYSA-N 0 0 382.298 3.206 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N1CCN(CC(F)(F)F)c2ccccc21 ZINC000593206695 567396405 /nfs/dbraw/zinc/39/64/05/567396405.db2.gz MUPLYXZHBNQDMU-UHFFFAOYSA-N 0 0 387.408 3.197 10 30 GGEERN C=CCOCCCNC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000618526029 567396916 /nfs/dbraw/zinc/39/69/16/567396916.db2.gz LILYPLSYKFFYKP-QGZVFWFLSA-N 0 0 387.307 3.076 10 30 GGEERN CCOc1c(Br)cc(C(=O)Nc2cc(C#N)ccn2)cc1OC ZINC000435991412 567399413 /nfs/dbraw/zinc/39/94/13/567399413.db2.gz DSPZWOAFBRKQEB-UHFFFAOYSA-N 0 0 376.210 3.375 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000618543955 567399721 /nfs/dbraw/zinc/39/97/21/567399721.db2.gz HTGRGKBNRPUMDM-QGZVFWFLSA-N 0 0 393.325 3.359 10 30 GGEERN CN1C(=O)N(CC2(C#N)CCCC2)C(=O)[C@@H]1c1cccc(Br)c1 ZINC000593230332 567399921 /nfs/dbraw/zinc/39/99/21/567399921.db2.gz SHOOIMIGXQQMFH-AWEZNQCLSA-N 0 0 376.254 3.468 10 30 GGEERN C[C@@H](NS(=O)(=O)CC1(C#N)CCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000477523539 567400509 /nfs/dbraw/zinc/40/05/09/567400509.db2.gz PZEQTCGWFUNVBG-GFCCVEGCSA-N 0 0 376.400 3.302 10 30 GGEERN N#Cc1cc2c(nc1NCc1ccc(Br)c(F)c1F)CCOC2 ZINC000528185340 567400803 /nfs/dbraw/zinc/40/08/03/567400803.db2.gz RPDURHUIWOHHET-UHFFFAOYSA-N 0 0 380.192 3.101 10 30 GGEERN N#Cc1ccnc(NC(=O)c2ccc(I)c(Cl)c2)c1 ZINC000436009906 567401143 /nfs/dbraw/zinc/40/11/43/567401143.db2.gz WQIYDCZVJFNGJV-UHFFFAOYSA-N 0 0 383.576 3.464 10 30 GGEERN Cc1cc(C(=O)Nc2cc(C#N)ccn2)nn1-c1ccc(Br)cc1 ZINC000436001478 567401374 /nfs/dbraw/zinc/40/13/74/567401374.db2.gz OFKROSKZBNSDDP-UHFFFAOYSA-N 0 0 382.221 3.462 10 30 GGEERN CCOC[C@@H]1CN(c2c(C#N)cnc3c(Br)cccc32)CCO1 ZINC000528191339 567401406 /nfs/dbraw/zinc/40/14/06/567401406.db2.gz XCGFOWWSTODTJM-ZDUSSCGKSA-N 0 0 376.254 3.111 10 30 GGEERN CCCN1C[C@H](c2noc(Cc3ccc(Br)cc3C#N)n2)CC1=O ZINC000593302321 567404231 /nfs/dbraw/zinc/40/42/31/567404231.db2.gz PYIHEJPQWHIODR-CYBMUJFWSA-N 0 0 389.253 3.020 10 30 GGEERN N#CC1(CNC(=O)NCc2cc(Br)c3c(c2)OCCO3)CCCC1 ZINC000593327012 567407012 /nfs/dbraw/zinc/40/70/12/567407012.db2.gz MBBVOHPDGOYZBX-UHFFFAOYSA-N 0 0 394.269 3.103 10 30 GGEERN CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)Cc1ccc(Br)cc1C#N ZINC000593364510 567409340 /nfs/dbraw/zinc/40/93/40/567409340.db2.gz DUDYBLUJSAJLMQ-HNNXBMFYSA-N 0 0 395.297 3.442 10 30 GGEERN N#CC1(CNC(=O)N[C@@H](CCO)c2ccccc2Br)CCCC1 ZINC000593428930 567411481 /nfs/dbraw/zinc/41/14/81/567411481.db2.gz RZRYQLCFLSXHDF-HNNXBMFYSA-N 0 0 380.286 3.256 10 30 GGEERN N#CC1(CNC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)CCCC1 ZINC000593427758 567411649 /nfs/dbraw/zinc/41/16/49/567411649.db2.gz QYZSRQWCCWPZTC-GFCCVEGCSA-N 0 0 386.279 3.116 10 30 GGEERN N#CC1(CNC(=O)N(CCO)Cc2cc(Br)ccc2F)CCCC1 ZINC000593428500 567412553 /nfs/dbraw/zinc/41/25/53/567412553.db2.gz ZREZZTHHGZJYCA-UHFFFAOYSA-N 0 0 398.276 3.176 10 30 GGEERN N#Cc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2I)[nH]1 ZINC000502020911 567415966 /nfs/dbraw/zinc/41/59/66/567415966.db2.gz FSFHXZINBJKIJV-OAHLLOKOSA-N 0 0 391.212 3.468 10 30 GGEERN CC1(C)CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@](C)(C(F)(F)F)O1 ZINC000549901195 567416737 /nfs/dbraw/zinc/41/67/37/567416737.db2.gz UAFRECDDWQKEGC-CQSZACIVSA-N 0 0 396.818 3.332 10 30 GGEERN N#Cc1ccc(CC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cn1 ZINC000528383320 567417757 /nfs/dbraw/zinc/41/77/57/567417757.db2.gz SGYMUCFGZWXQNE-KRWDZBQOSA-N 0 0 376.243 3.403 10 30 GGEERN C[C@H](NC(=O)C(=O)NCc1ccc(Cl)cc1Cl)c1ccc(C#N)cc1 ZINC000549919560 567418030 /nfs/dbraw/zinc/41/80/30/567418030.db2.gz XWNHRPJUIAIQBF-NSHDSACASA-N 0 0 376.243 3.359 10 30 GGEERN N#Cc1ccc(CC(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cn1 ZINC000528383324 567418071 /nfs/dbraw/zinc/41/80/71/567418071.db2.gz SGYMUCFGZWXQNE-QGZVFWFLSA-N 0 0 376.243 3.403 10 30 GGEERN N#Cc1c(Br)cccc1S(=O)(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000549911013 567418119 /nfs/dbraw/zinc/41/81/19/567418119.db2.gz RGHLJDVLVPLCPQ-KBPBESRZSA-N 0 0 391.290 3.403 10 30 GGEERN CC(C)(C)c1cnc(CNC(=O)Cc2ccc(Br)cc2C#N)o1 ZINC000593503205 567419483 /nfs/dbraw/zinc/41/94/83/567419483.db2.gz QDODQHQUCOZCKE-UHFFFAOYSA-N 0 0 376.254 3.465 10 30 GGEERN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000662229592 567419518 /nfs/dbraw/zinc/41/95/18/567419518.db2.gz KIHGBRIDDBDAIX-KGLIPLIRSA-N 0 0 376.444 3.304 10 30 GGEERN C[C@@H]1CCN(C(=O)Cc2ccc(Br)cc2C#N)C[C@H]1n1ccnc1 ZINC000593523954 567420675 /nfs/dbraw/zinc/42/06/75/567420675.db2.gz ZENOGYZZRWKICN-CXAGYDPISA-N 0 0 387.281 3.169 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1NCC[C@@]1(O)CCCOC1 ZINC000593517051 567420716 /nfs/dbraw/zinc/42/07/16/567420716.db2.gz CISBRZAATRYZFD-KRWDZBQOSA-N 0 0 376.254 3.212 10 30 GGEERN COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccsc2C#N)cc1OC ZINC000593528066 567420794 /nfs/dbraw/zinc/42/07/94/567420794.db2.gz YRAXBGPVPXJXSS-ZDUSSCGKSA-N 0 0 378.475 3.163 10 30 GGEERN C[C@@H]1CCN(C(=O)Cc2ccc(Br)cc2C#N)C[C@@H]1n1ccnc1 ZINC000593523956 567421011 /nfs/dbraw/zinc/42/10/11/567421011.db2.gz ZENOGYZZRWKICN-DYVFJYSZSA-N 0 0 387.281 3.169 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1NCC[C@]1(O)CCCOC1 ZINC000593517052 567421131 /nfs/dbraw/zinc/42/11/31/567421131.db2.gz CISBRZAATRYZFD-QGZVFWFLSA-N 0 0 376.254 3.212 10 30 GGEERN C[C@H](c1ccccc1Cl)N1CCN(S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593528583 567421214 /nfs/dbraw/zinc/42/12/14/567421214.db2.gz DPGFJYGVOWRNQN-CYBMUJFWSA-N 0 0 395.937 3.341 10 30 GGEERN COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)c1cc(C)sc1C ZINC000593530570 567421320 /nfs/dbraw/zinc/42/13/20/567421320.db2.gz KHGPDFMCLPBUSV-NSHDSACASA-N 0 0 378.475 3.063 10 30 GGEERN CCOc1cc(CNS(=O)(=O)c2ccsc2C#N)ccc1OC(F)F ZINC000593534255 567421970 /nfs/dbraw/zinc/42/19/70/567421970.db2.gz HLXBWQFHSXBWJS-UHFFFAOYSA-N 0 0 388.417 3.098 10 30 GGEERN N#Cc1sccc1S(=O)(=O)NCC1(c2cccc(Cl)c2)CCOCC1 ZINC000593534459 567422037 /nfs/dbraw/zinc/42/20/37/567422037.db2.gz ALAZQMGMNCEJQJ-UHFFFAOYSA-N 0 0 396.921 3.300 10 30 GGEERN N#Cc1cc(Cl)cc(Br)c1N1CCC(Cn2ccnn2)CC1 ZINC000618898247 567422053 /nfs/dbraw/zinc/42/20/53/567422053.db2.gz SUSNCFZXRNPFOC-UHFFFAOYSA-N 0 0 380.677 3.482 10 30 GGEERN COCCN(Cc1ccc(F)cc1Cl)S(=O)(=O)c1ccsc1C#N ZINC000593544530 567422263 /nfs/dbraw/zinc/42/22/63/567422263.db2.gz UNICQEZVABVETH-UHFFFAOYSA-N 0 0 388.873 3.250 10 30 GGEERN Cc1ccc(Cl)cc1N1CC[C@H](CNS(=O)(=O)c2ccsc2C#N)C1 ZINC000593540181 567422338 /nfs/dbraw/zinc/42/23/38/567422338.db2.gz MZQLIUJEQWVWAE-CYBMUJFWSA-N 0 0 395.937 3.386 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NCCC[C@@H]1CCCC[C@H]1O ZINC000593538643 567422705 /nfs/dbraw/zinc/42/27/05/567422705.db2.gz OHNAIBINQYVBFU-SUMWQHHRSA-N 0 0 379.298 3.311 10 30 GGEERN COC[C@H](NS(=O)(=O)c1ccsc1C#N)c1cccc(C(F)(F)F)c1 ZINC000593546857 567423634 /nfs/dbraw/zinc/42/36/34/567423634.db2.gz LFCLIHVDDPTASC-LBPRGKRZSA-N 0 0 390.408 3.305 10 30 GGEERN Cc1ccc(C)c([C@H]2CN(S(=O)(=O)c3ccsc3C#N)[C@@H](C)CO2)c1 ZINC000593556211 567423721 /nfs/dbraw/zinc/42/37/21/567423721.db2.gz LPKGNKHVZCGTGV-GOEBONIOSA-N 0 0 376.503 3.387 10 30 GGEERN CC(C)(C#N)c1ccc(S(=O)(=O)NCc2nc(C(F)(F)F)cs2)cc1 ZINC000593555344 567424444 /nfs/dbraw/zinc/42/44/44/567424444.db2.gz ANSSURNATVXKMC-UHFFFAOYSA-N 0 0 389.424 3.442 10 30 GGEERN Cc1c(C(=O)N[C@H](C#N)c2ccc(Br)cc2)sc2nccn12 ZINC000502226194 567424552 /nfs/dbraw/zinc/42/45/52/567424552.db2.gz JYWQUYPDSBVDSK-GFCCVEGCSA-N 0 0 375.251 3.461 10 30 GGEERN CC[C@](C)(COc1ncccc1Cl)NS(=O)(=O)c1ccsc1C#N ZINC000593567166 567425868 /nfs/dbraw/zinc/42/58/68/567425868.db2.gz OXIMFCMUKUQOAJ-OAHLLOKOSA-N 0 0 385.898 3.194 10 30 GGEERN N#Cc1sccc1S(=O)(=O)NCc1cccc(COCC(F)(F)F)c1 ZINC000593566310 567425981 /nfs/dbraw/zinc/42/59/81/567425981.db2.gz FBMQBTKXPFKNSX-UHFFFAOYSA-N 0 0 390.408 3.177 10 30 GGEERN N#Cc1cc(F)ccc1CS(=O)(=O)N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000528461599 567426062 /nfs/dbraw/zinc/42/60/62/567426062.db2.gz ILNIZFDIQLXQMP-FGTMMUONSA-N 0 0 376.840 3.108 10 30 GGEERN CC(C)(C)[C@H]1CCN(C(=O)Cc2ccc(Br)cc2C#N)C[C@H]1O ZINC000593582952 567426410 /nfs/dbraw/zinc/42/64/10/567426410.db2.gz PYJKIEQKKKSJNG-JKSUJKDBSA-N 0 0 379.298 3.119 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC([C@H]2CCOC2)CC1 ZINC000593596031 567426474 /nfs/dbraw/zinc/42/64/74/567426474.db2.gz LTGXBPRKMGDUIS-HNNXBMFYSA-N 0 0 377.282 3.138 10 30 GGEERN C[C@H](CCO)C1(CNC(=O)Cc2ccc(Br)cc2C#N)CCC1 ZINC000593582612 567426930 /nfs/dbraw/zinc/42/69/30/567426930.db2.gz VQLIQNPHCSXGKB-CYBMUJFWSA-N 0 0 379.298 3.168 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000593595060 567427027 /nfs/dbraw/zinc/42/70/27/567427027.db2.gz AFDZSIRBBILQFQ-LBPRGKRZSA-N 0 0 378.479 3.186 10 30 GGEERN CC(C)(C)[C@@H]1CCN(C(=O)Cc2ccc(Br)cc2C#N)C[C@H]1O ZINC000593582949 567427048 /nfs/dbraw/zinc/42/70/48/567427048.db2.gz PYJKIEQKKKSJNG-HZPDHXFCSA-N 0 0 379.298 3.119 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC000593592158 567427294 /nfs/dbraw/zinc/42/72/94/567427294.db2.gz GIKPLRPBNGTZMM-CQSZACIVSA-N 0 0 398.307 3.207 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC000593592157 567427350 /nfs/dbraw/zinc/42/73/50/567427350.db2.gz GIKPLRPBNGTZMM-AWEZNQCLSA-N 0 0 398.307 3.207 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000593613338 567427929 /nfs/dbraw/zinc/42/79/29/567427929.db2.gz NQYPOKPRGMEZJF-GFCCVEGCSA-N 0 0 386.857 3.174 10 30 GGEERN Cc1cncn1C1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593615221 567428005 /nfs/dbraw/zinc/42/80/05/567428005.db2.gz OECOZDATXSKLOH-UHFFFAOYSA-N 0 0 387.281 3.232 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000593609782 567428078 /nfs/dbraw/zinc/42/80/78/567428078.db2.gz ZIXDMNPKXNQTGH-GFCCVEGCSA-N 0 0 398.307 3.303 10 30 GGEERN Cc1nsc(NC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)c1C#N ZINC000436483449 567428474 /nfs/dbraw/zinc/42/84/74/567428474.db2.gz CWFPNBCSDIGETD-UHFFFAOYSA-N 0 0 397.291 3.379 10 30 GGEERN N#CCC1(CS(=O)(=O)NC2(c3ccccc3Br)CCC2)CC1 ZINC000593617412 567428574 /nfs/dbraw/zinc/42/85/74/567428574.db2.gz VHZXZCNQSSVPAQ-UHFFFAOYSA-N 0 0 383.311 3.442 10 30 GGEERN COC(=O)c1sc2ccccc2c1S(=O)(=O)NCC1(C#N)CCCC1 ZINC000593619552 567428665 /nfs/dbraw/zinc/42/86/65/567428665.db2.gz BLEAYMXRSDNBTE-UHFFFAOYSA-N 0 0 378.475 3.050 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N1CCO[C@H](c2c(F)cccc2Cl)C1 ZINC000593613339 567428684 /nfs/dbraw/zinc/42/86/84/567428684.db2.gz NQYPOKPRGMEZJF-LBPRGKRZSA-N 0 0 386.857 3.174 10 30 GGEERN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000593621484 567428739 /nfs/dbraw/zinc/42/87/39/567428739.db2.gz NWCCJSWTMRUOOF-IAQYHMDHSA-N 0 0 384.885 3.095 10 30 GGEERN C[C@]1(Br)C[C@@H]1C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000528489305 567428965 /nfs/dbraw/zinc/42/89/65/567428965.db2.gz HNSHGIFMQJGJOC-WZRBSPASSA-N 0 0 377.160 3.440 10 30 GGEERN C[C@]1(Br)C[C@H]1C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000528489287 567429220 /nfs/dbraw/zinc/42/92/20/567429220.db2.gz HNSHGIFMQJGJOC-LOWVWBTDSA-N 0 0 377.160 3.440 10 30 GGEERN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000593623266 567429504 /nfs/dbraw/zinc/42/95/04/567429504.db2.gz WQURSSGSVIOGTG-BXUZGUMPSA-N 0 0 384.885 3.095 10 30 GGEERN CCC(C)(C)OC1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000528490939 567429344 /nfs/dbraw/zinc/42/93/44/567429344.db2.gz UHKBPVVQOFLHFU-UHFFFAOYSA-N 0 0 376.400 3.155 10 30 GGEERN C[C@]1(Cc2cccc(Cl)c2)CCCN1S(=O)(=O)c1cccnc1C#N ZINC000593623314 567429725 /nfs/dbraw/zinc/42/97/25/567429725.db2.gz ZHTMTDSIIJHUIQ-GOSISDBHSA-N 0 0 375.881 3.393 10 30 GGEERN Cc1cc(F)c(Br)cc1S(=O)(=O)NCC1(C#N)CCCC1 ZINC000593622942 567429785 /nfs/dbraw/zinc/42/97/85/567429785.db2.gz FDTABCHLOLGFEU-UHFFFAOYSA-N 0 0 375.263 3.259 10 30 GGEERN CN(CC1(O)CCCCCC1)C(=O)Cc1ccc(Br)cc1C#N ZINC000593622578 567430052 /nfs/dbraw/zinc/43/00/52/567430052.db2.gz ZLYIBNYOZZFRSY-UHFFFAOYSA-N 0 0 379.298 3.407 10 30 GGEERN Cc1cc(S(=O)(=O)NCC2(C#N)CCCC2)c(F)cc1Br ZINC000593623808 567430159 /nfs/dbraw/zinc/43/01/59/567430159.db2.gz QJMWIAJHFSHKTD-UHFFFAOYSA-N 0 0 375.263 3.259 10 30 GGEERN N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000593626478 567430238 /nfs/dbraw/zinc/43/02/38/567430238.db2.gz AEONETDMMBGERA-UHFFFAOYSA-N 0 0 382.766 3.267 10 30 GGEERN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC1(C#N)CCCC1 ZINC000593623833 567430326 /nfs/dbraw/zinc/43/03/26/567430326.db2.gz QSMWEGQXQRSJMY-UHFFFAOYSA-N 0 0 391.276 3.142 10 30 GGEERN CC[C@@H](C)c1nnc([C@H](C)NC(=O)Cc2ccc(Br)cc2C#N)[nH]1 ZINC000593651009 567431206 /nfs/dbraw/zinc/43/12/06/567431206.db2.gz OTMQECFJIRZONY-MNOVXSKESA-N 0 0 390.285 3.372 10 30 GGEERN CC(C)C[C@@]1(CO)CCCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593645215 567431684 /nfs/dbraw/zinc/43/16/84/567431684.db2.gz FXZIEGMBKAFIFC-GOSISDBHSA-N 0 0 379.298 3.263 10 30 GGEERN N#CC1(CNC(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CCCC1 ZINC000593671228 567434869 /nfs/dbraw/zinc/43/48/69/567434869.db2.gz GQYHOKZEBJSOIL-UHFFFAOYSA-N 0 0 384.661 3.241 10 30 GGEERN Cc1cc(NC(=O)C(=O)NCC2(C#N)CCCC2)c(F)cc1Br ZINC000593676016 567435029 /nfs/dbraw/zinc/43/50/29/567435029.db2.gz ZSTRYNUHHSXPDR-UHFFFAOYSA-N 0 0 382.233 3.035 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1C[C@H](CO)Cc2ccccc21 ZINC000593717682 567435754 /nfs/dbraw/zinc/43/57/54/567435754.db2.gz FPXOFAPXTBLLKM-CYBMUJFWSA-N 0 0 385.261 3.061 10 30 GGEERN Cc1c(Br)ccc(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c1F ZINC000619110563 567435877 /nfs/dbraw/zinc/43/58/77/567435877.db2.gz QEBGIXQCJGJCAX-HNNXBMFYSA-N 0 0 382.277 3.203 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000593740337 567437426 /nfs/dbraw/zinc/43/74/26/567437426.db2.gz KWUUYBVSUMEWOA-BRWVUGGUSA-N 0 0 377.282 3.015 10 30 GGEERN C[C@H](NC(=O)Cc1ccc(Br)cc1C#N)c1noc(C(F)F)n1 ZINC000593739661 567437567 /nfs/dbraw/zinc/43/75/67/567437567.db2.gz GHWBBHUECGGWTO-ZETCQYMHSA-N 0 0 385.168 3.061 10 30 GGEERN C=CCC[C@@H](NC(=O)[C@@H]1CCOc2ccc(Br)cc21)C(=O)OCC ZINC000593738843 567437985 /nfs/dbraw/zinc/43/79/85/567437985.db2.gz MAZQMSDEQIEXJT-UKRRQHHQSA-N 0 0 396.281 3.329 10 30 GGEERN N#Cc1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c(F)c1 ZINC000619175380 567438303 /nfs/dbraw/zinc/43/83/03/567438303.db2.gz TUWNUIUJLXJLFZ-UHFFFAOYSA-N 0 0 376.306 3.334 10 30 GGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)C[C@H]1C(C)(C)C1(F)F ZINC000641491095 567438864 /nfs/dbraw/zinc/43/88/64/567438864.db2.gz MQKBLKGEQNPUTH-HNNXBMFYSA-N 0 0 375.485 3.463 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@@H]1[C@H]1CCCOC1 ZINC000593753168 567439344 /nfs/dbraw/zinc/43/93/44/567439344.db2.gz QXSJSQCCWUBJRT-WMLDXEAASA-N 0 0 377.282 3.281 10 30 GGEERN N#CC1(CNC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)CCCC1 ZINC000593782218 567440541 /nfs/dbraw/zinc/44/05/41/567440541.db2.gz IWVRZADLMVSCTQ-SFHVURJKSA-N 0 0 375.881 3.469 10 30 GGEERN N#CC1(CNC(=O)c2cc(Br)cnc2OCC2CC2)CCCC1 ZINC000593774459 567440764 /nfs/dbraw/zinc/44/07/64/567440764.db2.gz AVSDSMIJFXAXSP-UHFFFAOYSA-N 0 0 378.270 3.447 10 30 GGEERN N#CC1(CNC(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CCCC1 ZINC000593782836 567440846 /nfs/dbraw/zinc/44/08/46/567440846.db2.gz SYOMKYNJCFTIBA-UHFFFAOYSA-N 0 0 379.913 3.454 10 30 GGEERN N#CC1(CNC(=O)CCOc2ccccc2I)CCCC1 ZINC000593787151 567440984 /nfs/dbraw/zinc/44/09/84/567440984.db2.gz RSBIENXBHFKODW-UHFFFAOYSA-N 0 0 398.244 3.260 10 30 GGEERN N#Cc1cncc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Br)s2)c1 ZINC000569891886 567441720 /nfs/dbraw/zinc/44/17/20/567441720.db2.gz SZFDXPVOFZBPIS-GFCCVEGCSA-N 0 0 398.307 3.303 10 30 GGEERN COc1ccc([C@@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)C2CC2)cn1 ZINC000528593145 567441915 /nfs/dbraw/zinc/44/19/15/567441915.db2.gz QRSYBZIKXSWBLK-KRWDZBQOSA-N 0 0 377.853 3.045 10 30 GGEERN CC(C)(C(=O)N=c1ccn(CCC#N)[nH]1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000528611814 567442734 /nfs/dbraw/zinc/44/27/34/567442734.db2.gz WFYLFTJGFGHEAR-OAHLLOKOSA-N 0 0 381.263 3.224 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@]3(CC3(F)F)C2)C1 ZINC000593885060 567444581 /nfs/dbraw/zinc/44/45/81/567444581.db2.gz ADUOQCSSWATXRZ-INIZCTEOSA-N 0 0 396.235 3.015 10 30 GGEERN N#Cc1cc(Br)ccc1CN1CC2(CCOCC2)CC[C@@H]1CO ZINC000528637714 567444531 /nfs/dbraw/zinc/44/45/31/567444531.db2.gz FRIGPWRVNFOSDQ-QGZVFWFLSA-N 0 0 379.298 3.074 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@@]3(CC3(F)F)C2)C1 ZINC000593885061 567444937 /nfs/dbraw/zinc/44/49/37/567444937.db2.gz ADUOQCSSWATXRZ-MRXNPFEDSA-N 0 0 396.235 3.015 10 30 GGEERN N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCc3c2ccc(Cl)c3Cl)nc1 ZINC000550417618 567445786 /nfs/dbraw/zinc/44/57/86/567445786.db2.gz CVAQTGTUFCQTCW-CYBMUJFWSA-N 0 0 375.215 3.002 10 30 GGEERN N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCc3c2ccc(Cl)c3Cl)nc1 ZINC000550417619 567445861 /nfs/dbraw/zinc/44/58/61/567445861.db2.gz CVAQTGTUFCQTCW-ZDUSSCGKSA-N 0 0 375.215 3.002 10 30 GGEERN N#Cc1cccnc1-n1cc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cn1 ZINC000569959389 567446383 /nfs/dbraw/zinc/44/63/83/567446383.db2.gz IICIXIXHLBJTNB-UHFFFAOYSA-N 0 0 394.243 3.247 10 30 GGEERN C=CCCn1cc(C[S@@](=O)Cc2noc(-c3ccc(Cl)cc3)n2)nn1 ZINC000593935417 567447663 /nfs/dbraw/zinc/44/76/63/567447663.db2.gz CTDWAGKFDBAMQV-RUZDIDTESA-N 0 0 377.857 3.007 10 30 GGEERN C=CCCn1cc(C[S@](=O)Cc2cc(Br)ccc2OC)nn1 ZINC000593936609 567447921 /nfs/dbraw/zinc/44/79/21/567447921.db2.gz VAHUWLPVANPRDY-JOCHJYFZSA-N 0 0 384.299 3.074 10 30 GGEERN C=CCCn1cc(C[S@](=O)CCCc2ccccc2Br)nn1 ZINC000593938109 567448021 /nfs/dbraw/zinc/44/80/21/567448021.db2.gz GJYRFLRZKJPIMM-JOCHJYFZSA-N 0 0 382.327 3.498 10 30 GGEERN C=CCCn1cc(C[S@](=O)CC(=O)Nc2ccc(Cl)cc2Cl)nn1 ZINC000593938569 567448043 /nfs/dbraw/zinc/44/80/43/567448043.db2.gz NFFOVTDJACHQET-DEOSSOPVSA-N 0 0 387.292 3.048 10 30 GGEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1cc(Br)ccc1F ZINC000502735584 567448192 /nfs/dbraw/zinc/44/81/92/567448192.db2.gz APTSZEFUOVLLHW-KRWDZBQOSA-N 0 0 399.260 3.466 10 30 GGEERN C=CCCn1cc(C[S@@](=O)[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)nn1 ZINC000593938082 567448110 /nfs/dbraw/zinc/44/81/10/567448110.db2.gz FOZMNQVVYDEEMU-ZJWNCGCPSA-N 0 0 380.901 3.092 10 30 GGEERN N#Cc1ccc(C[S@@](=O)Cc2ccc(OCC(F)(F)F)nn2)c(Cl)c1 ZINC000593940596 567448815 /nfs/dbraw/zinc/44/88/15/567448815.db2.gz LYTODTPEKRWZKH-RUZDIDTESA-N 0 0 389.786 3.392 10 30 GGEERN C=CCCn1cc(C[S@](=O)[C@H](C)C(=O)Nc2cccc(Cl)c2C)nn1 ZINC000593939254 567449072 /nfs/dbraw/zinc/44/90/72/567449072.db2.gz VYQURTSEVSHHOW-SHZVTRLKSA-N 0 0 380.901 3.092 10 30 GGEERN N#Cc1cscc1C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000550488950 567449395 /nfs/dbraw/zinc/44/93/95/567449395.db2.gz AFAXHAXWNPBKPO-KRWDZBQOSA-N 0 0 375.881 3.076 10 30 GGEERN C=CCCn1cc(C[S@](=O)CC(=O)Nc2cc(Cl)ccc2Cl)nn1 ZINC000593942032 567449504 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CC[C@H](C#N)N(C)C(=O)c1ccc2cc(I)ccc2n1 ZINC000594087170 567458599 /nfs/dbraw/zinc/45/85/99/567458599.db2.gz JNTIHKDPEUORHF-GFCCVEGCSA-N 0 0 379.201 3.214 10 30 GGEERN CCO[C@H](C)c1nc(CN(C)S(=O)(=O)c2cccc(CC#N)c2)cs1 ZINC000619487495 567459420 /nfs/dbraw/zinc/45/94/20/567459420.db2.gz KGFYSIZLGSYAOK-CYBMUJFWSA-N 0 0 379.507 3.127 10 30 GGEERN N#Cc1cccnc1N1CCN(CCOc2cc(Cl)ccc2Cl)CC1 ZINC000619510076 567459987 /nfs/dbraw/zinc/45/99/87/567459987.db2.gz KQNDDAZIIDYMNL-UHFFFAOYSA-N 0 0 377.275 3.461 10 30 GGEERN COc1cc(Br)ccc1CNS(=O)(=O)c1cccc(CC#N)c1 ZINC000619498067 567460172 /nfs/dbraw/zinc/46/01/72/567460172.db2.gz QAXVNYIXPKVPJN-UHFFFAOYSA-N 0 0 395.278 3.002 10 30 GGEERN CC(C)(C#N)CNC(=O)c1ccc2cc(I)ccc2n1 ZINC000619503228 567460439 /nfs/dbraw/zinc/46/04/39/567460439.db2.gz HRBBWHJJMFGCNJ-UHFFFAOYSA-N 0 0 379.201 3.119 10 30 GGEERN CC[C@@H](NC(=O)COc1ccc(C#N)c(Br)c1)[C@@H]1CCCCO1 ZINC000594173643 567462846 /nfs/dbraw/zinc/46/28/46/567462846.db2.gz CSMQUEIOUOQDNY-CVEARBPZSA-N 0 0 381.270 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ZINC000594727585 567504919 /nfs/dbraw/zinc/50/49/19/567504919.db2.gz OVQNHJFWYAKOBM-JTQLQIEISA-N 0 0 380.267 3.062 10 30 GGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(Br)cc1OC ZINC000437768681 567507531 /nfs/dbraw/zinc/50/75/31/567507531.db2.gz CEHYLNGQPSRYNS-CJNGLKHVSA-N 0 0 383.286 3.238 10 30 GGEERN C[C@]1(Br)C[C@H]1C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000529371031 567510334 /nfs/dbraw/zinc/51/03/34/567510334.db2.gz KLFPZSSYSNHMTF-GUYCJALGSA-N 0 0 381.245 3.241 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@@H](c2cncc(Br)c2)C2CC2)CCCC1 ZINC000551481286 567510590 /nfs/dbraw/zinc/51/05/90/567510590.db2.gz VPXTYOGQEZJOQU-OAHLLOKOSA-N 0 0 398.326 3.299 10 30 GGEERN CCn1c(CNC(=O)N(C)C[C@@H](C)C#N)nc2cc(Br)ccc21 ZINC000479165833 567511075 /nfs/dbraw/zinc/51/10/75/567511075.db2.gz XNJDYSFEULLPBB-NSHDSACASA-N 0 0 378.274 3.120 10 30 GGEERN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCOC[C@H]1CC(F)F ZINC000594777321 567511572 /nfs/dbraw/zinc/51/15/72/567511572.db2.gz ATXXTBKYAXTIEZ-GFCCVEGCSA-N 0 0 386.445 3.126 10 30 GGEERN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCC(C2(O)CC2)CC1 ZINC000594792944 567513007 /nfs/dbraw/zinc/51/30/07/567513007.db2.gz FDJVSZVIADZXLG-UHFFFAOYSA-N 0 0 376.503 3.007 10 30 GGEERN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCO[C@@](C)(C2CC2)C1 ZINC000594799159 567513376 /nfs/dbraw/zinc/51/33/76/567513376.db2.gz PGVWIBMZYFCING-GOSISDBHSA-N 0 0 376.503 3.271 10 30 GGEERN CCn1cc(Br)c(=O)c(NC(=O)c2cc(C#N)ccc2Cl)c1 ZINC000503938011 567513715 /nfs/dbraw/zinc/51/37/15/567513715.db2.gz WGYNOUYKOAYOOT-UHFFFAOYSA-N 0 0 380.629 3.408 10 30 GGEERN CC[C@@H](COCC1CC1)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000594800047 567514424 /nfs/dbraw/zinc/51/44/24/567514424.db2.gz BJFOBNHDVIAALW-ZDUSSCGKSA-N 0 0 376.400 3.061 10 30 GGEERN N#CC[C@@H]1CCCN(S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000594807373 567515040 /nfs/dbraw/zinc/51/50/40/567515040.db2.gz YCYYRGCJIVOLSN-JTQLQIEISA-N 0 0 377.691 3.417 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC)Cc1ccc(Br)cc1 ZINC000620337774 567515030 /nfs/dbraw/zinc/51/50/30/567515030.db2.gz 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567546997 /nfs/dbraw/zinc/54/69/97/567546997.db2.gz BVBVFYCBJVJVFJ-ZBOXLXRLSA-N 0 0 396.260 3.292 10 30 GGEERN C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1Br)C1CCC(F)CC1 ZINC000595195025 567547087 /nfs/dbraw/zinc/54/70/87/567547087.db2.gz XDNIGNUDZRSACJ-XSRFYTQQSA-N 0 0 396.260 3.292 10 30 GGEERN C=CCCC(C)(C)NC(=O)C(=O)Nc1ccc(Br)cc1C(=O)OC ZINC000595229678 567548397 /nfs/dbraw/zinc/54/83/97/567548397.db2.gz AQXXEBVWTMDWTQ-UHFFFAOYSA-N 0 0 397.269 3.035 10 30 GGEERN C[C@@H](NC(=O)[C@@H](C)S(=O)(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000479630987 567548536 /nfs/dbraw/zinc/54/85/36/567548536.db2.gz CUAYSQAXCCQSLU-CHWSQXEVSA-N 0 0 376.865 3.251 10 30 GGEERN N#Cc1ccc([C@@H](O)C(=O)N2CC3(CC3)c3ccc(Br)cc32)cc1 ZINC000529821712 567548609 /nfs/dbraw/zinc/54/86/09/567548609.db2.gz NJWKAWBTYJMFIG-QGZVFWFLSA-N 0 0 383.245 3.433 10 30 GGEERN CC(C)(C)C(F)(F)CNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000595219222 567548714 /nfs/dbraw/zinc/54/87/14/567548714.db2.gz CZBMPKKLDMSAFN-UHFFFAOYSA-N 0 0 388.212 3.057 10 30 GGEERN 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/nfs/dbraw/zinc/56/62/71/567566271.db2.gz WOPQDOOICQSBRS-UHFFFAOYSA-N 0 0 375.222 3.349 10 30 GGEERN N#Cc1ccc(C2(NC(=O)c3cc(Br)co3)CCOCC2)cc1 ZINC000530059005 567566369 /nfs/dbraw/zinc/56/63/69/567566369.db2.gz IDUMTOOFMFJGEQ-UHFFFAOYSA-N 0 0 375.222 3.349 10 30 GGEERN C[C@@]1(C#N)CCN(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000595465131 567566868 /nfs/dbraw/zinc/56/68/68/567566868.db2.gz FZQHPSJXDQPDGU-KSSFIOAISA-N 0 0 391.313 3.221 10 30 GGEERN C[C@@]1(C#N)CCN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000595474452 567566900 /nfs/dbraw/zinc/56/69/00/567566900.db2.gz LSSNITRDAJQGBR-KSSFIOAISA-N 0 0 391.313 3.221 10 30 GGEERN Cn1cc([C@@H](NCc2cc(C#N)ccc2Br)C2(CO)CCC2)cn1 ZINC000595494791 567568296 /nfs/dbraw/zinc/56/82/96/567568296.db2.gz PNRCALISEVZLIE-QGZVFWFLSA-N 0 0 389.297 3.048 10 30 GGEERN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[C@](C)(C#N)C1 ZINC000595573407 567572647 /nfs/dbraw/zinc/57/26/47/567572647.db2.gz VEAFJPMCQSXCBS-YLQAJVPDSA-N 0 0 380.286 3.470 10 30 GGEERN 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397.260 3.169 10 30 GGEERN N#CCCOCCN1CCc2cc(Br)c(Br)cc2C1 ZINC000595851173 567586603 /nfs/dbraw/zinc/58/66/03/567586603.db2.gz OWBFJTOVRFTCPR-UHFFFAOYSA-N 0 0 388.103 3.500 10 30 GGEERN Cc1ccc2c(c1Br)CN(C[C@H](O)COc1ccc(C#N)cc1)C2 ZINC000595878404 567587902 /nfs/dbraw/zinc/58/79/02/567587902.db2.gz NWQGUBOZLKCCIS-INIZCTEOSA-N 0 0 387.277 3.385 10 30 GGEERN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCOc2cc(Br)ccc2C1 ZINC000595877032 567588111 /nfs/dbraw/zinc/58/81/11/567588111.db2.gz NSPMFNHWJKGBBT-SCLBCKFNSA-N 0 0 394.313 3.086 10 30 GGEERN C[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H](CC(F)(F)F)O1 ZINC000595889131 567589613 /nfs/dbraw/zinc/58/96/13/567589613.db2.gz HHABKQLKTKBRMC-GWCFXTLKSA-N 0 0 375.778 3.192 10 30 GGEERN Cc1sc(NC(=O)CN2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)c(C#N)c1C ZINC000595894548 567590214 /nfs/dbraw/zinc/59/02/14/567590214.db2.gz ZXMIJRJHDQTMSO-JOYOIKCWSA-N 0 0 375.416 3.217 10 30 GGEERN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCO[C@H](CC(F)(F)F)C1 ZINC000595888307 567590410 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/nfs/dbraw/zinc/76/36/10/567763610.db2.gz RZOIZEZLSDKTHC-KSSFIOAISA-N 0 0 380.535 3.113 10 30 GGEERN C[C@]1(C#N)CCN(C(=O)[C@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)C1 ZINC000598412115 567763629 /nfs/dbraw/zinc/76/36/29/567763629.db2.gz RHNLZTLSIWZDBW-FUHWJXTLSA-N 0 0 382.291 3.129 10 30 GGEERN C[C@]1(C#N)CCN(C(=O)[C@@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)C1 ZINC000598412118 567763681 /nfs/dbraw/zinc/76/36/81/567763681.db2.gz RHNLZTLSIWZDBW-SJLPKXTDSA-N 0 0 382.291 3.129 10 30 GGEERN COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000598407801 567763943 /nfs/dbraw/zinc/76/39/43/567763943.db2.gz FSPCSWXBCFOLTK-YJBOKZPZSA-N 0 0 379.298 3.406 10 30 GGEERN C=CCCO[C@@H](C)C(=O)Nc1nc2cc(I)ccc2[nH]1 ZINC000598425519 567765988 /nfs/dbraw/zinc/76/59/88/567765988.db2.gz VPPKHSVFYAHRPM-VIFPVBQESA-N 0 0 385.205 3.087 10 30 GGEERN N#Cc1cnc(C(=O)NCCN2CCc3c(Cl)cccc3C2)c(Cl)c1 ZINC000443555758 567767129 /nfs/dbraw/zinc/76/71/29/567767129.db2.gz CYONGNYVOQPCAH-UHFFFAOYSA-N 0 0 375.259 3.048 10 30 GGEERN C[C@@H](C(=O)N[C@H]1CCCCc2cc(Br)ccc21)n1cnc(C#N)n1 ZINC000598454143 567770139 /nfs/dbraw/zinc/77/01/39/567770139.db2.gz VLTBJHFPUQKZJL-NHYWBVRUSA-N 0 0 388.269 3.057 10 30 GGEERN COc1ccc(CSCCOc2cccc(S(C)(=O)=O)c2)cc1C#N ZINC000533468939 567770630 /nfs/dbraw/zinc/77/06/30/567770630.db2.gz UGEJEUKVBWFXCJ-UHFFFAOYSA-N 0 0 377.487 3.283 10 30 GGEERN C=CCn1c(Cc2ccsc2)nnc1N1CC[S@@](=O)C(CC)(CC)C1 ZINC000508881952 567771668 /nfs/dbraw/zinc/77/16/68/567771668.db2.gz ULJQHDLEXOWJEW-RUZDIDTESA-N 0 0 378.567 3.244 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000598507997 567772533 /nfs/dbraw/zinc/77/25/33/567772533.db2.gz ANUCUOGRXDTXMN-ZDUSSCGKSA-N 0 0 391.187 3.043 10 30 GGEERN C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1 ZINC000555243160 567776148 /nfs/dbraw/zinc/77/61/48/567776148.db2.gz IZBYCAKMVLWGHD-OAHLLOKOSA-N 0 0 388.269 3.012 10 30 GGEERN COc1cc(C)c(Br)cc1S(=O)(=O)N(C[C@@H](C)C#N)C1CC1 ZINC000533584395 567776616 /nfs/dbraw/zinc/77/66/16/567776616.db2.gz ZTGGHGPZCNRHCH-JTQLQIEISA-N 0 0 387.299 3.079 10 30 GGEERN C[C@H](C#N)CN(C[C@H](O)COc1ccc(Cl)cc1Br)C1CC1 ZINC000533596917 567778125 /nfs/dbraw/zinc/77/81/25/567778125.db2.gz RWNQBDOHHDXELT-RISCZKNCSA-N 0 0 387.705 3.466 10 30 GGEERN CCN(CCC#N)S(=O)(=O)NC1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000598622534 567779766 /nfs/dbraw/zinc/77/97/66/567779766.db2.gz QCVKZHRBBAIDGM-UHFFFAOYSA-N 0 0 375.416 3.155 10 30 GGEERN Cc1cc(S(=O)(=O)N2CCc3cccc(Br)c3C2)ccc1C#N ZINC000443907545 567780180 /nfs/dbraw/zinc/78/01/80/567780180.db2.gz JJJYRTHNIZAPHX-UHFFFAOYSA-N 0 0 391.290 3.376 10 30 GGEERN CN1C(=O)C[C@H](Nc2ccc(Cl)c(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533638333 567780291 /nfs/dbraw/zinc/78/02/91/567780291.db2.gz PUPCCTLNVCMNGC-SUMWQHHRSA-N 0 0 379.222 3.205 10 30 GGEERN C=CC[C@@H]1N(S(=O)(=O)c2ccc(S(=O)(=O)CC)cc2)CCCC1(C)C ZINC000443972901 567783480 /nfs/dbraw/zinc/78/34/80/567783480.db2.gz XYWXUFNAZGUJPM-KRWDZBQOSA-N 0 0 385.551 3.236 10 30 GGEERN Cc1cc(S(=O)(=O)NCc2cc(F)cc(Br)c2)ccc1C#N ZINC000443971579 567783619 /nfs/dbraw/zinc/78/36/19/567783619.db2.gz LBHLNQSCRNHTBL-UHFFFAOYSA-N 0 0 383.242 3.247 10 30 GGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CCCN(c2nccs2)CC1 ZINC000574564432 567785309 /nfs/dbraw/zinc/78/53/09/567785309.db2.gz IJJBHRRKMDLKMF-AWEZNQCLSA-N 0 0 376.555 3.205 10 30 GGEERN Cc1nsc(N2CCN(C(=O)c3cscc3C(F)(F)F)CC2)c1C#N ZINC000598734616 567786501 /nfs/dbraw/zinc/78/65/01/567786501.db2.gz DQMVGBIPOUTEOY-UHFFFAOYSA-N 0 0 386.424 3.366 10 30 GGEERN COc1cc(C#N)cc(Br)c1OC[C@@H](O)COc1ccccc1F ZINC000555566946 567788714 /nfs/dbraw/zinc/78/87/14/567788714.db2.gz ZHNHNBMRSFHZNG-LBPRGKRZSA-N 0 0 396.212 3.287 10 30 GGEERN C[C@H](CC#N)C(=O)N(C)c1ccc(NC(=O)[C@@H](C)CC#N)cc1Br ZINC000598821617 567792172 /nfs/dbraw/zinc/79/21/72/567792172.db2.gz MMGZYMNGRWQOJQ-NWDGAFQWSA-N 0 0 391.269 3.450 10 30 GGEERN CC(C)(C)OC(=O)[C@@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)C1CC1 ZINC000598824271 567792468 /nfs/dbraw/zinc/79/24/68/567792468.db2.gz ONGACHCUJAYJCK-HUUCEWRRSA-N 0 0 393.281 3.498 10 30 GGEERN C[C@H](CC#N)C(=O)Nc1ccc(N(C)C(=O)[C@H](C)CC#N)c(Br)c1 ZINC000598821619 567792498 /nfs/dbraw/zinc/79/24/98/567792498.db2.gz MMGZYMNGRWQOJQ-VXGBXAGGSA-N 0 0 391.269 3.450 10 30 GGEERN N#Cc1ccnc(C(=O)NC2(c3ccc(Br)cc3)CCOCC2)c1 ZINC000598808882 567792544 /nfs/dbraw/zinc/79/25/44/567792544.db2.gz REKLZBQTYNUZPK-UHFFFAOYSA-N 0 0 386.249 3.151 10 30 GGEERN N#Cc1cc(Br)cc(S(=O)(=O)N[C@H](c2cccnc2)C2CC2)c1 ZINC000533913468 567792848 /nfs/dbraw/zinc/79/28/48/567792848.db2.gz RXBRYPPDNQXOGI-INIZCTEOSA-N 0 0 392.278 3.145 10 30 GGEERN COCCCCN(C(=O)c1cc(C#N)ccn1)c1ccc(Br)cn1 ZINC000598831674 567793373 /nfs/dbraw/zinc/79/33/73/567793373.db2.gz NNDRSNUUSDAMJV-UHFFFAOYSA-N 0 0 389.253 3.184 10 30 GGEERN Cc1c(NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)ccc(Br)c1C#N ZINC000598841006 567794103 /nfs/dbraw/zinc/79/41/03/567794103.db2.gz GKIACRJHXNZRCC-HWWQOWPSSA-N 0 0 390.281 3.263 10 30 GGEERN Cc1nc(NC(=O)c2cc(Br)cc(N3CCCC3)c2)ccc1C#N ZINC000598841386 567794431 /nfs/dbraw/zinc/79/44/31/567794431.db2.gz LHBKOUNXUKSGNA-UHFFFAOYSA-N 0 0 385.265 3.299 10 30 GGEERN Cc1ncc(CNC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)s1 ZINC000444181837 567794995 /nfs/dbraw/zinc/79/49/95/567794995.db2.gz JWZYWNKUOIQXJV-UHFFFAOYSA-N 0 0 375.885 3.008 10 30 GGEERN CC(C)S(=O)(=O)c1c(Cl)cccc1NC(=O)CC1(C#N)CCOCC1 ZINC000598847674 567795177 /nfs/dbraw/zinc/79/51/77/567795177.db2.gz PLPDWNHXLNJIPG-UHFFFAOYSA-N 0 0 384.885 3.171 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)c1nc(-c2cc(Br)c(=O)[nH]c2C)no1 ZINC000624693297 567795354 /nfs/dbraw/zinc/79/53/54/567795354.db2.gz DFMDLXLDNVKILW-GFCCVEGCSA-N 0 0 381.230 3.052 10 30 GGEERN Cc1cc(Br)ccc1NC(=O)CCNC(=O)c1cscc1C#N ZINC000555733004 567796331 /nfs/dbraw/zinc/79/63/31/567796331.db2.gz UBVBPWQIYDSWRI-UHFFFAOYSA-N 0 0 392.278 3.449 10 30 GGEERN COC(=O)C1(C(=O)N[C@@H](C#N)c2ccccc2Br)CC2(CCC2)C1 ZINC000598879366 567797077 /nfs/dbraw/zinc/79/70/77/567797077.db2.gz QEHBVMADZUKBQL-AWEZNQCLSA-N 0 0 391.265 3.253 10 30 GGEERN CC(C)(C)OC(=O)[C@@H](C(=O)N[C@@H](C#N)c1ccccc1Br)C1CC1 ZINC000598878331 567797205 /nfs/dbraw/zinc/79/72/05/567797205.db2.gz BNDBYJYSTBCSBN-LSDHHAIUSA-N 0 0 393.281 3.498 10 30 GGEERN CC(C)(C)OC(=O)[C@@H](C(=O)N[C@H](C#N)c1ccccc1Br)C1CC1 ZINC000598878329 567797346 /nfs/dbraw/zinc/79/73/46/567797346.db2.gz BNDBYJYSTBCSBN-HUUCEWRRSA-N 0 0 393.281 3.498 10 30 GGEERN CC(C)(COCC(F)F)C(=O)N[C@@H](C#N)c1ccccc1Br ZINC000598878624 567797376 /nfs/dbraw/zinc/79/73/76/567797376.db2.gz HERVNSNSZFSBCP-LBPRGKRZSA-N 0 0 375.213 3.438 10 30 GGEERN C[C@@H]1OCCN(C(=O)Cc2ccc(Br)cc2C#N)[C@@H]1C(F)(F)F ZINC000598890019 567797997 /nfs/dbraw/zinc/79/79/97/567797997.db2.gz IAQXFBYOVLVEDT-XPTSAGLGSA-N 0 0 391.187 3.041 10 30 GGEERN N#CC1(C[C@H](O)CN2CCc3ccc(F)c(Br)c3C2)CCOCC1 ZINC000598940497 567798771 /nfs/dbraw/zinc/79/87/71/567798771.db2.gz VVORFQJYSIIQGZ-AWEZNQCLSA-N 0 0 397.288 3.018 10 30 GGEERN N#Cc1ccc(CN(CCO)Cc2ccc(Br)s2)c([N+](=O)[O-])c1 ZINC000574815514 567799058 /nfs/dbraw/zinc/79/90/58/567799058.db2.gz YPIQITSNEOFQQE-UHFFFAOYSA-N 0 0 396.266 3.285 10 30 GGEERN N#CC1(C[C@@H](O)CN2CCc3ccc(F)c(Br)c3C2)CCOCC1 ZINC000598940510 567799158 /nfs/dbraw/zinc/79/91/58/567799158.db2.gz VVORFQJYSIIQGZ-CQSZACIVSA-N 0 0 397.288 3.018 10 30 GGEERN CC(C)c1ncc2c(n1)CCN(C(=O)Cc1ccc(Br)cc1C#N)C2 ZINC000598946478 567800182 /nfs/dbraw/zinc/80/01/82/567800182.db2.gz GMLLTCVVCNCRIE-UHFFFAOYSA-N 0 0 399.292 3.362 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CCCC1 ZINC000574867514 567801562 /nfs/dbraw/zinc/80/15/62/567801562.db2.gz LUSKMMCGHZXHKT-LSDHHAIUSA-N 0 0 383.311 3.308 10 30 GGEERN C=CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000624829260 567801775 /nfs/dbraw/zinc/80/17/75/567801775.db2.gz FMHUWNUPSJKBDR-KLPPZKSPSA-N 0 0 380.279 3.138 10 30 GGEERN C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CC2(C1)CCCO2 ZINC000624835348 567802888 /nfs/dbraw/zinc/80/28/88/567802888.db2.gz SFWHYAPFGXVUMH-UHFFFAOYSA-N 0 0 393.260 3.402 10 30 GGEERN C=CCCCN1C(=O)N[C@@H](Cc2c[nH]c3ccc(Br)cc23)C1=O ZINC000574933386 567804946 /nfs/dbraw/zinc/80/49/46/567804946.db2.gz PEKAOBARIDZRDU-HNNXBMFYSA-N 0 0 376.254 3.360 10 30 GGEERN COC(=O)[C@@H](C[C@H]1CCCOC1)Nc1cc(Br)c(C#N)cc1F ZINC000599165623 567808601 /nfs/dbraw/zinc/80/86/01/567808601.db2.gz OQRPQEBTNVUDHH-MEBBXXQBSA-N 0 0 385.233 3.230 10 30 GGEERN N#Cc1cc(Br)ccc1NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000599183712 567809510 /nfs/dbraw/zinc/80/95/10/567809510.db2.gz RHXNLZWZXHEUFK-KRWDZBQOSA-N 0 0 387.281 3.029 10 30 GGEERN N#CCc1cccc2c1CCN(c1ccc(I)cn1)C2 ZINC000599195662 567810317 /nfs/dbraw/zinc/81/03/17/567810317.db2.gz ULSDSFQOGOAHAP-UHFFFAOYSA-N 0 0 375.213 3.315 10 30 GGEERN CS(=O)(=O)[C@@H]1CN(Cc2ccc(F)cc2C(F)(F)F)C[C@H]1C(F)(F)F ZINC000668469590 567810785 /nfs/dbraw/zinc/81/07/85/567810785.db2.gz JESMAQZTBQRVJZ-VXGBXAGGSA-N 0 0 393.324 3.252 10 30 GGEERN N#CC1(C[C@@H](O)C[N@H+](Cc2cccc(Br)c2)C2CC2)CCOCC1 ZINC000599259922 567811937 /nfs/dbraw/zinc/81/19/37/567811937.db2.gz RVURYLDHXSGYJG-GOSISDBHSA-N 0 0 393.325 3.485 10 30 GGEERN Cc1cc(Br)c(F)c(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c1 ZINC000599248293 567812002 /nfs/dbraw/zinc/81/20/02/567812002.db2.gz LVMRDQUIPIHUHS-HNNXBMFYSA-N 0 0 382.277 3.203 10 30 GGEERN Cc1cn(CC(=O)Nc2nc(C)c(SCC#N)s2)nc1C(F)(F)F ZINC000599247612 567812075 /nfs/dbraw/zinc/81/20/75/567812075.db2.gz FYYBAFZKNPMPDC-UHFFFAOYSA-N 0 0 375.401 3.230 10 30 GGEERN C=C(C)[C@@H](CC(=O)N1CCN(Cc2ccc(Br)cc2)CC1)OCC ZINC000534452424 567812220 /nfs/dbraw/zinc/81/22/20/567812220.db2.gz QZOITJFPAYVXLK-GOSISDBHSA-N 0 0 395.341 3.465 10 30 GGEERN C=CCOc1c(Br)cc(CN2CC[C@@H](O)C(F)(F)C2)cc1OC ZINC000668500528 567812781 /nfs/dbraw/zinc/81/27/81/567812781.db2.gz AMRRHVHEQZQDCL-CQSZACIVSA-N 0 0 392.240 3.224 10 30 GGEERN N#C[C@H](NC(=O)c1ccc(C(=O)NC2CC2)cc1)c1ccc(Br)cc1 ZINC000534500511 567813301 /nfs/dbraw/zinc/81/33/01/567813301.db2.gz OYXIENIZXTXLBG-KRWDZBQOSA-N 0 0 398.260 3.336 10 30 GGEERN C=CCOc1c(Br)cc(CN2C[C@@H]3COC[C@]3(C)C2)cc1OC ZINC000668595397 567814326 /nfs/dbraw/zinc/81/43/26/567814326.db2.gz NDWOIPSJESCQRF-KDOFPFPSSA-N 0 0 382.298 3.491 10 30 GGEERN C=CCOc1c(Br)cc(CN2CC[C@@]3(O)C[C@H]3C2)cc1OCC ZINC000668597317 567814383 /nfs/dbraw/zinc/81/43/83/567814383.db2.gz ATQBFXGRGXWSFW-KBXCAEBGSA-N 0 0 382.298 3.369 10 30 GGEERN COc1cc(NC(=NC(=O)c2ccccc2)NCc2ccccn2)cc(OC)c1 ZINC000046126636 570210196 /nfs/dbraw/zinc/21/01/96/570210196.db2.gz WTWDTVIRGOIKAQ-UHFFFAOYSA-N 0 0 390.443 3.497 10 30 GGEERN COc1cccc(C(=O)N=C(NCc2cccnc2)Nc2ccccc2OC)c1 ZINC000046127889 570210498 /nfs/dbraw/zinc/21/04/98/570210498.db2.gz CCKBGUGKSNLRAW-UHFFFAOYSA-N 0 0 390.443 3.497 10 30 GGEERN CCOc1ccc(NC(=NC(=O)c2cccc(OC)c2)NC[C@@H]2CCCO2)cc1 ZINC000046129053 570210819 /nfs/dbraw/zinc/21/08/19/570210819.db2.gz CZZTYONHMQVKDS-FQEVSTJZSA-N 0 0 397.475 3.471 10 30 GGEERN CC(=O)Nc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccccc2)cc1 ZINC000046128860 570210883 /nfs/dbraw/zinc/21/08/83/570210883.db2.gz LXCKDIXEABRNQK-IBGZPJMESA-N 0 0 380.448 3.022 10 30 GGEERN COc1cccc(NC(=NC(=O)c2cccc(OC)c2)NC[C@@H]2CCCO2)c1 ZINC000046129595 570211188 /nfs/dbraw/zinc/21/11/88/570211188.db2.gz GOAVORHIAJQWNM-IBGZPJMESA-N 0 0 383.448 3.081 10 30 GGEERN Cc1ccc(NC(=NC(=O)c2cccc(N(C)C)c2)NC[C@@H]2CCCO2)cc1 ZINC000046130281 570211288 /nfs/dbraw/zinc/21/12/88/570211288.db2.gz DFOPUILNRBFYLO-FQEVSTJZSA-N 0 0 380.492 3.438 10 30 GGEERN CC(=O)Nc1cccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(C)cc2)c1 ZINC000046130395 570211346 /nfs/dbraw/zinc/21/13/46/570211346.db2.gz ABHWONZWKDTSND-FQEVSTJZSA-N 0 0 394.475 3.330 10 30 GGEERN CCOC(=O)c1ccc(NC(=NC(=O)c2ccccc2)NC[C@@H]2CCCO2)cc1 ZINC000046130257 570211403 /nfs/dbraw/zinc/21/14/03/570211403.db2.gz DHUZSYJJZJZUPN-IBGZPJMESA-N 0 0 395.459 3.240 10 30 GGEERN COc1ccccc1NC(=NC(=O)c1ccc(F)c(F)c1)NC[C@@H]1CCCO1 ZINC000046131001 570211633 /nfs/dbraw/zinc/21/16/33/570211633.db2.gz VEFQUJYNDPBCAU-AWEZNQCLSA-N 0 0 389.402 3.350 10 30 GGEERN COC(=O)c1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cccc(C)c2)cc1 ZINC000046130544 570211642 /nfs/dbraw/zinc/21/16/42/570211642.db2.gz WRHYWRXKNWUOPM-LJQANCHMSA-N 0 0 395.459 3.159 10 30 GGEERN COc1cc(NC(=NC(=O)c2ccccc2)NC[C@@H]2CCCO2)cc(OC)c1 ZINC000046132473 570212957 /nfs/dbraw/zinc/21/29/57/570212957.db2.gz JMEFCORKHRBELU-KRWDZBQOSA-N 0 0 383.448 3.081 10 30 GGEERN COc1ccc(NC(=NC(=O)c2ccccc2)NC[C@@H]2CCCO2)cc1OC ZINC000046132371 570213068 /nfs/dbraw/zinc/21/30/68/570213068.db2.gz STKRQQWXUOXGGT-KRWDZBQOSA-N 0 0 383.448 3.081 10 30 GGEERN Cc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc3c(c2)OCCO3)c1 ZINC000046132559 570213089 /nfs/dbraw/zinc/21/30/89/570213089.db2.gz GNQRIHFJMBNYHL-GOSISDBHSA-N 0 0 395.459 3.143 10 30 GGEERN CCOC(=O)c1c2c(C#N)c(CN3CCOCC3)cn2c2ccccc2c1C ZINC000048229440 570223340 /nfs/dbraw/zinc/22/33/40/570223340.db2.gz ZIMLBSGYJXQCPA-UHFFFAOYSA-N 0 0 377.444 3.282 10 30 GGEERN CCOC(=O)c1sc(N)c(C#N)c1COC(=O)c1ccc2ccccc2n1 ZINC000006122774 570263689 /nfs/dbraw/zinc/26/36/89/570263689.db2.gz ICVYJCRXXVPPBF-UHFFFAOYSA-N 0 0 381.413 3.284 10 30 GGEERN N#CC1(NC(=O)CSc2ccc(C(=O)N3CCCC3)cn2)CCCCCC1 ZINC000012863233 570268466 /nfs/dbraw/zinc/26/84/66/570268466.db2.gz VJTLEQPPLLGRBZ-UHFFFAOYSA-N 0 0 386.521 3.142 10 30 GGEERN COc1cc(C#N)cc(Cl)c1OC(=O)CCCn1cnc2ccccc2c1=O ZINC000024697707 570278975 /nfs/dbraw/zinc/27/89/75/570278975.db2.gz GDZZQFCARYUIRN-UHFFFAOYSA-N 0 0 397.818 3.316 10 30 GGEERN C=CCN1C(=O)N(c2cccc(F)c2)C(=O)[C@H]1CC(=O)Nc1cccc(F)c1 ZINC000020160860 570283160 /nfs/dbraw/zinc/28/31/60/570283160.db2.gz WIDLVJRVJJVCMP-QGZVFWFLSA-N 0 0 385.370 3.317 10 30 GGEERN C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012913852 570292114 /nfs/dbraw/zinc/29/21/14/570292114.db2.gz YCPFCJIUPTZMCZ-SJLPKXTDSA-N 0 0 376.460 3.236 10 30 GGEERN O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CCCN(c2cnccn2)C1 ZINC000029787090 570311127 /nfs/dbraw/zinc/31/11/27/570311127.db2.gz TYDWRCRPCQXUKO-IBGZPJMESA-N 0 0 383.455 3.127 10 30 GGEERN COc1ccccc1NC(=O)[C@H]1CC(=O)N(C)/C(=N\c2cccc(F)c2)S1 ZINC000100294643 570349815 /nfs/dbraw/zinc/34/98/15/570349815.db2.gz QEGAJNTWIKWJBB-QQMHEVNUSA-N 0 0 387.436 3.424 10 30 GGEERN N#CCCN(C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1F ZINC000004871571 570352152 /nfs/dbraw/zinc/35/21/52/570352152.db2.gz QIVQMCMTPXXOLI-UHFFFAOYSA-N 0 0 398.394 3.131 10 30 GGEERN CC[C@@H](C)c1ccccc1NC(=O)CN(c1cccc(C#N)c1)S(C)(=O)=O ZINC000024971534 570410506 /nfs/dbraw/zinc/41/05/06/570410506.db2.gz CHXNDGKZYKYRBF-OAHLLOKOSA-N 0 0 385.489 3.476 10 30 GGEERN CCc1noc(C)c1C(=O)OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000006510258 570462401 /nfs/dbraw/zinc/46/24/01/570462401.db2.gz VHRLFGSSLBNTCB-JTQLQIEISA-N 0 0 387.461 3.399 10 30 GGEERN CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1OC)C1=C(CCCC1=O)N2 ZINC000006001766 570463913 /nfs/dbraw/zinc/46/39/13/570463913.db2.gz JAYZOGUEWXGPNN-OAHLLOKOSA-N 0 0 383.473 3.455 10 30 GGEERN COc1ccc([C@@H]2c3c(=O)[nH]c(SC)nc3NC3=C2C(=O)CCC3)cc1OC ZINC000006009357 570464510 /nfs/dbraw/zinc/46/45/10/570464510.db2.gz JFOKUZSJUPUSLV-HNNXBMFYSA-N 0 0 399.472 3.074 10 30 GGEERN Cc1ccc(-c2csc(C3=C(N)N(NC(=O)c4cccs4)CC3=O)n2)cc1 ZINC000006550563 570473470 /nfs/dbraw/zinc/47/34/70/570473470.db2.gz BPGMEAPZLZLSQL-UHFFFAOYSA-N 0 0 396.497 3.037 10 30 GGEERN COc1ccccc1N=C1S[C@@H](C(=O)Nc2ccc(F)cc2)CC(=O)N1C ZINC000252602756 570478439 /nfs/dbraw/zinc/47/84/39/570478439.db2.gz FKXLYBFRCPUMMH-MRXNPFEDSA-N 0 0 387.436 3.424 10 30 GGEERN C[C@@H](Oc1cccc(C#N)c1)C(=O)Nc1n[nH]cc1-c1ccc2c(c1)OCO2 ZINC000072303603 570513956 /nfs/dbraw/zinc/51/39/56/570513956.db2.gz MROIAGLCNUHKOM-GFCCVEGCSA-N 0 0 376.372 3.083 10 30 GGEERN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CC(OCc2cccc3ccccc32)C1 ZINC000072308930 570529303 /nfs/dbraw/zinc/52/93/03/570529303.db2.gz VUUWCSVLUNXROH-SBUREZEXSA-N 0 0 379.504 3.484 10 30 GGEERN N#CCCn1c2ccccc2nc1SCC(=O)NC(=O)NCc1ccccc1 ZINC000005268100 570537176 /nfs/dbraw/zinc/53/71/76/570537176.db2.gz FMQGYOVPZGKCGG-UHFFFAOYSA-N 0 0 393.472 3.068 10 30 GGEERN C=CCOC[C@@H](O)CN(Cc1ccc(F)cc1)Cc1cccc(OC)c1OC ZINC000036103788 570540334 /nfs/dbraw/zinc/54/03/34/570540334.db2.gz DALMSHBEHAUKNG-FQEVSTJZSA-N 0 0 389.467 3.409 10 30 GGEERN C[C@@H]1CN(S(=O)(=O)c2ccc(/C=C\C(=O)c3ccccc3)s2)C[C@@H](C)O1 ZINC000169615803 570558980 /nfs/dbraw/zinc/55/89/80/570558980.db2.gz AFRGOOVDPLUBJM-XIQZNWFMSA-N 0 0 391.514 3.442 10 30 GGEERN N#Cc1cc2c(n(-c3ccc4c(c3)OCCO4)c1=O)C[C@H](c1ccccc1)CC2=O ZINC000032985442 570573537 /nfs/dbraw/zinc/57/35/37/570573537.db2.gz IYLWWRBVIOKKOO-INIZCTEOSA-N 0 0 398.418 3.393 10 30 GGEERN C=CCN1CCN(C(=O)CCc2cc(OC)c(OC)c(OC)c2)c2cccnc21 ZINC000064929688 570595614 /nfs/dbraw/zinc/59/56/14/570595614.db2.gz VEPNJMYTPTZHFV-UHFFFAOYSA-N 0 0 397.475 3.079 10 30 GGEERN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)CN(C)c2ccc(C#N)cn2)cc1 ZINC000062268482 570598214 /nfs/dbraw/zinc/59/82/14/570598214.db2.gz XKUWRBNGVXVCSX-MRXNPFEDSA-N 0 0 391.475 3.043 10 30 GGEERN C=CCNC(=O)[C@H]1Cc2ccc(OC)cc2N2CCN(c3ccc(F)cc3)C[C@@H]12 ZINC000169680752 570601507 /nfs/dbraw/zinc/60/15/07/570601507.db2.gz UXAILWAJOZMIOM-UNMCSNQZSA-N 0 0 395.478 3.004 10 30 GGEERN C=CCNC(=O)[C@@H]1Cc2ccc(OC)cc2N2CCN(c3ccc(F)cc3)C[C@@H]12 ZINC000169680751 570601672 /nfs/dbraw/zinc/60/16/72/570601672.db2.gz UXAILWAJOZMIOM-IRLDBZIGSA-N 0 0 395.478 3.004 10 30 GGEERN COc1cccc(Cl)c1CC(=O)NC[C@@H]1CCn2ncc(C(N)=O)c2C1 ZINC000328607935 570642702 /nfs/dbraw/zinc/64/27/02/570642702.db2.gz XPMTZLPIXZXXHJ-LLVKDONJSA-N 0 0 376.844 3.190 10 30 GGEERN COc1ccc(-c2nc(NC(=O)[C@H](C)Oc3cccc(C#N)c3)n[nH]2)c(OC)c1 ZINC000060330352 570647627 /nfs/dbraw/zinc/64/76/27/570647627.db2.gz HGMHCSPWOBQBJZ-LBPRGKRZSA-N 0 0 393.403 3.416 10 30 GGEERN COc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3cccc(C#N)c3)n[nH]2)c(OC)c1 ZINC000060330353 570647712 /nfs/dbraw/zinc/64/77/12/570647712.db2.gz HGMHCSPWOBQBJZ-GFCCVEGCSA-N 0 0 393.403 3.416 10 30 GGEERN COc1cc(C#N)ccc1OCC(=O)N1c2ccccc2NC(=O)C12CCCC2 ZINC000012401453 570654362 /nfs/dbraw/zinc/65/43/62/570654362.db2.gz PTXNJWBHUASBCL-UHFFFAOYSA-N 0 0 391.427 3.244 10 30 GGEERN N#Cc1ccc(Cc2cnc(NC(=O)CCNC(=O)c3ccccc3)s2)cc1 ZINC000025053500 570706841 /nfs/dbraw/zinc/70/68/41/570706841.db2.gz VBPSSLABSZCXEA-UHFFFAOYSA-N 0 0 390.468 3.364 10 30 GGEERN CC[C@@](C)(C#N)NC(=O)c1ccccc1SCc1nnnn1-c1ccccc1 ZINC000058169330 570714964 /nfs/dbraw/zinc/71/49/64/570714964.db2.gz VMDDBWVEAVYEIV-FQEVSTJZSA-N 0 0 392.488 3.377 10 30 GGEERN Cc1nc(SCc2c(C#N)c(C)nn2-c2ccccc2)sc1CC(N)=O ZINC000025078731 570723771 /nfs/dbraw/zinc/72/37/71/570723771.db2.gz VEVYOYIVJGKORU-UHFFFAOYSA-N 0 0 383.502 3.137 10 30 GGEERN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000025085382 570723792 /nfs/dbraw/zinc/72/37/92/570723792.db2.gz ZAXFOPMAEKFIFY-UHFFFAOYSA-N 0 0 398.470 3.217 10 30 GGEERN Cc1nn(C)c(C)c1/C=C/C(=O)OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000058369332 570729351 /nfs/dbraw/zinc/72/93/51/570729351.db2.gz VPRCJPIQMCLGOH-ZTODFXQUSA-N 0 0 393.487 3.474 10 30 GGEERN COC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccccc3C#N)o2)C1=O ZINC000000981875 570743426 /nfs/dbraw/zinc/74/34/26/570743426.db2.gz UACNFQRHUKIRGQ-RCEBRVLHSA-N 0 0 382.397 3.416 10 30 GGEERN N#Cc1c(Cl)nsc1N1CCC(C(=O)NCCc2ccccc2F)CC1 ZINC000052283769 570746003 /nfs/dbraw/zinc/74/60/03/570746003.db2.gz ALRVVTBYOQNUQO-UHFFFAOYSA-N 0 0 392.887 3.383 10 30 GGEERN CCOC(=O)c1cc(C#N)c(SCC(=O)Nc2ccc(N(C)C)cc2)nc1C ZINC000007058555 570775409 /nfs/dbraw/zinc/77/54/09/570775409.db2.gz BLHWRZHXKGUJLW-UHFFFAOYSA-N 0 0 398.488 3.235 10 30 GGEERN CC(=O)Nc1ccc(-c2cn(C3CCN(c4ncccc4C#N)CC3)nn2)cc1 ZINC000082096425 570790281 /nfs/dbraw/zinc/79/02/81/570790281.db2.gz YNTLOOZNWYIPNV-UHFFFAOYSA-N 0 0 387.447 3.012 10 30 GGEERN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)Cc3sc(N)nc3O)sc2C1 ZINC000005902562 570802025 /nfs/dbraw/zinc/80/20/25/570802025.db2.gz FNHZLOATHWWYPT-TVQRCGJNSA-N 0 0 390.534 3.056 10 30 GGEERN CCOC(=O)c1cc(C#N)c(SCC(=O)N2CCCC[C@H]2CC)nc1C ZINC000007149705 570807226 /nfs/dbraw/zinc/80/72/26/570807226.db2.gz NCIBKOVCRNQDED-OAHLLOKOSA-N 0 0 375.494 3.322 10 30 GGEERN CCOC(=O)c1cc(C#N)c(SCC(=O)N[C@@H](C)c2cccs2)nc1C ZINC000007149464 570807230 /nfs/dbraw/zinc/80/72/30/570807230.db2.gz MDPYRCDTYHJRKP-LBPRGKRZSA-N 0 0 389.502 3.469 10 30 GGEERN CCc1sc(C(=O)NCC(=O)Nc2n[nH]c(-c3ccc(OC)cc3)n2)cc1C ZINC000032786889 570809605 /nfs/dbraw/zinc/80/96/05/570809605.db2.gz UTVSYOKNNKKKBW-UHFFFAOYSA-N 0 0 399.476 3.431 10 30 GGEERN COc1ccc(NC(=NS(C)(=O)=O)Nc2cc(C)cc(C)c2)cc1OC ZINC000033116394 570813894 /nfs/dbraw/zinc/81/38/94/570813894.db2.gz KMULNMQSNUAJRR-UHFFFAOYSA-N 0 0 377.466 3.160 10 30 GGEERN CCOc1ccc(CNC(=NS(C)(=O)=O)Nc2ccc(OCC)cc2)cc1 ZINC000033116370 570814009 /nfs/dbraw/zinc/81/40/09/570814009.db2.gz CPBVMYNVPUEAFT-UHFFFAOYSA-N 0 0 391.493 3.001 10 30 GGEERN COc1ccc(NC(=NS(C)(=O)=O)Nc2ccc(C)c(C)c2)cc1OC ZINC000033116391 570814096 /nfs/dbraw/zinc/81/40/96/570814096.db2.gz PTZVNCBTSLRFCF-UHFFFAOYSA-N 0 0 377.466 3.160 10 30 GGEERN CCOC(=O)c1sc(N)c(C#N)c1COC(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC000007233241 570818709 /nfs/dbraw/zinc/81/87/09/570818709.db2.gz OYCCZAZZIHRWFB-SNVBAGLBSA-N 0 0 392.408 3.028 10 30 GGEERN C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000065453197 570820754 /nfs/dbraw/zinc/82/07/54/570820754.db2.gz LBNVFJUSJWYGNF-AWEZNQCLSA-N 0 0 392.484 3.366 10 30 GGEERN C[C@H](C#N)CSc1ccccc1NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000065453192 570820800 /nfs/dbraw/zinc/82/08/00/570820800.db2.gz LBNVFJUSJWYGNF-CQSZACIVSA-N 0 0 392.484 3.366 10 30 GGEERN CCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H](C)C1 ZINC000101451765 570823604 /nfs/dbraw/zinc/82/36/04/570823604.db2.gz OMHVDGXECMRTIY-ROUUACIJSA-N 0 0 381.561 3.136 10 30 GGEERN CCc1c(C)sc2nc(Sc3ncccc3C#N)n(CCOC)c(=O)c12 ZINC000012521927 570828050 /nfs/dbraw/zinc/82/80/50/570828050.db2.gz HRVLMKWORYWTRV-UHFFFAOYSA-N 0 0 386.502 3.393 10 30 GGEERN Cc1ccc(/C=C/C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)s1 ZINC000065562866 570830848 /nfs/dbraw/zinc/83/08/48/570830848.db2.gz QRFBSXMXBZUMAV-IJDCCNJMSA-N 0 0 383.498 3.482 10 30 GGEERN CN(Cc1nc2ccccc2n1C(F)F)S(=O)(=O)c1cccc(C#N)c1 ZINC000012535304 570835296 /nfs/dbraw/zinc/83/52/96/570835296.db2.gz LEIQAJZBSMZHAY-UHFFFAOYSA-N 0 0 376.388 3.124 10 30 GGEERN N#Cc1ccc(C(=O)N[C@@H](c2nnc(N3CCCCC3)o2)c2ccccc2)cc1 ZINC000065209582 570847138 /nfs/dbraw/zinc/84/71/38/570847138.db2.gz WEVWTPIKAUSMHR-LJQANCHMSA-N 0 0 387.443 3.451 10 30 GGEERN N#Cc1ccc(NC2CCN(C(=O)Cc3ccc(Br)cc3)CC2)nc1 ZINC000170597674 570855250 /nfs/dbraw/zinc/85/52/50/570855250.db2.gz FMRKQZXNEZGEHX-UHFFFAOYSA-N 0 0 399.292 3.361 10 30 GGEERN N#Cc1ccc(N2CC[C@@H](OC(=O)c3cc4c(cc3O)CCCC4)C2=O)cc1 ZINC000065687503 570857706 /nfs/dbraw/zinc/85/77/06/570857706.db2.gz CNBJAQXMWLZYAU-HXUWFJFHSA-N 0 0 376.412 3.105 10 30 GGEERN CCOC(=O)c1cc(C#N)c(S[C@H](C(=O)N(C)C)c2ccccc2)nc1C ZINC000007503744 570860230 /nfs/dbraw/zinc/86/02/30/570860230.db2.gz JLOPRUCYMZXAQR-KRWDZBQOSA-N 0 0 383.473 3.360 10 30 GGEERN CCC[NH+]=Cc1c(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]c1-c1ccc([N+](=O)[O-])cc1 ZINC000102909913 570871225 /nfs/dbraw/zinc/87/12/25/570871225.db2.gz DZNOOTAXJXSDTI-UDWIEESQSA-N 0 0 395.375 3.478 10 30 GGEERN N#Cc1ccccc1COC(=O)c1ccccc1S[C@H]1CCS(=O)(=O)C1 ZINC000007567316 570884191 /nfs/dbraw/zinc/88/41/91/570884191.db2.gz QFWRUUHUJDWLTE-INIZCTEOSA-N 0 0 387.482 3.194 10 30 GGEERN Cc1ccc(C(=O)N2CC[C@]3(C2)NCc2ccccc2NC3=NC(C)(C)C)cn1 ZINC000097111658 570897009 /nfs/dbraw/zinc/89/70/09/570897009.db2.gz SJDYRRILMOCZCF-HSZRJFAPSA-N 0 0 391.519 3.387 10 30 GGEERN Cc1cc(C)n(-c2ccc(SCCC(=O)Nc3ccccc3C#N)nn2)n1 ZINC000011248104 570903973 /nfs/dbraw/zinc/90/39/73/570903973.db2.gz VTBQRCGNWKBHGY-UHFFFAOYSA-N 0 0 378.461 3.272 10 30 GGEERN C=CCNC(=O)[C@H]1Cc2ccc(OC)cc2N2CCN(c3ccc(F)cc3)C[C@H]12 ZINC000104917324 570908514 /nfs/dbraw/zinc/90/85/14/570908514.db2.gz UXAILWAJOZMIOM-RBBKRZOGSA-N 0 0 395.478 3.004 10 30 GGEERN N#Cc1ccccc1N1CCCN(CC(=O)Nc2cccc3ncccc32)CC1 ZINC000052801285 570908738 /nfs/dbraw/zinc/90/87/38/570908738.db2.gz DKDQCLUSUHEJBI-UHFFFAOYSA-N 0 0 385.471 3.257 10 30 GGEERN Cn1cccc1C(=O)N1CCCC[C@@H]1CCOC(=O)c1ccc(CC#N)cc1 ZINC000089756715 570911686 /nfs/dbraw/zinc/91/16/86/570911686.db2.gz KEAQOELJTYCPQC-LJQANCHMSA-N 0 0 379.460 3.333 10 30 GGEERN COC1(c2nc(-c3ccccn3)no2)CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000550891421 570961067 /nfs/dbraw/zinc/96/10/67/570961067.db2.gz CIXKALQNVBPJDG-UHFFFAOYSA-N 0 0 393.422 3.280 10 30 GGEERN Cc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccc(C#N)cc2)c(C)c1 ZINC000004768204 570972496 /nfs/dbraw/zinc/97/24/96/570972496.db2.gz NSEHJBQHNHTKNM-CQSZACIVSA-N 0 0 378.461 3.270 10 30 GGEERN C=CCNC(=O)C1(NC(=O)Cc2csc(-c3ccc(C)o3)n2)CCCCC1 ZINC000058310300 570984757 /nfs/dbraw/zinc/98/47/57/570984757.db2.gz RQUHYNYVJUOUMZ-UHFFFAOYSA-N 0 0 387.505 3.375 10 30 GGEERN COc1cccc(NC(=NCc2ccncc2)NC(=O)c2cccc(F)c2)c1 ZINC000045939901 571001278 /nfs/dbraw/zinc/00/12/78/571001278.db2.gz SPDZXPKFOUKUGC-UHFFFAOYSA-N 0 0 378.407 3.437 10 30 GGEERN COc1cccc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1 ZINC000252595297 571003793 /nfs/dbraw/zinc/00/37/93/571003793.db2.gz BZDPCPBQAGPYDX-UHFFFAOYSA-N 0 0 395.511 3.307 10 30 GGEERN Cc1nn(-c2ccccc2)c(C)c1C=NNS(=O)(=O)c1ccc(Cl)cc1 ZINC000252599955 571005222 /nfs/dbraw/zinc/00/52/22/571005222.db2.gz DNMFUVMNDQODGE-UHFFFAOYSA-N 0 0 388.880 3.455 10 30 GGEERN COc1ccc(N2C(=O)C[C@H](SC(=N)NN=C(C)c3ccccc3)C2=O)cc1 ZINC000252609381 571009622 /nfs/dbraw/zinc/00/96/22/571009622.db2.gz HSUQUSVZOCYHFB-KRWDZBQOSA-N 0 0 396.472 3.009 10 30 GGEERN CCCN1CCN(C(Nc2cccc(C(=O)[O-])c2)=[NH+]Cc2ccccc2)CC1 ZINC000046021829 571012452 /nfs/dbraw/zinc/01/24/52/571012452.db2.gz PQYRYXCXXYCSBC-UHFFFAOYSA-N 0 0 380.492 3.190 10 30 GGEERN N#CC1(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CCCCC1 ZINC000084372820 571015451 /nfs/dbraw/zinc/01/54/51/571015451.db2.gz UMVBSEMYHCJQJM-ZDUSSCGKSA-N 0 0 379.382 3.401 10 30 GGEERN CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(CCC#N)c2ccc(F)cc2)c1C ZINC000002646988 1398316011 /nfs/dbraw/zinc/31/60/11/1398316011.db2.gz IAEPIDZAUOEBJY-UHFFFAOYSA-N 0 0 385.395 3.077 10 30 GGEERN CCOC(=O)c1ccc2c(c1)nc(SCC#N)n(Cc1ccccc1)c2=O ZINC000002969709 1398323552 /nfs/dbraw/zinc/32/35/52/1398323552.db2.gz YBBYKNVPRLLEJB-UHFFFAOYSA-N 0 0 379.441 3.237 10 30 GGEERN CCOC(=O)C(=NNc1cc(C(F)(F)F)ccc1Cl)NC[C@H]1CCCO1 ZINC000003179370 1398327954 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1408947458 /nfs/dbraw/zinc/94/74/58/1408947458.db2.gz RLQKNVIURFBHFH-CQSZACIVSA-N 0 0 376.453 3.348 10 30 GGEERN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)CN(C)c2ccc(C#N)cn2)cc1 ZINC000067806032 1409234247 /nfs/dbraw/zinc/23/42/47/1409234247.db2.gz XKUWRBNGVXVCSX-INIZCTEOSA-N 0 0 391.475 3.043 10 30 GGEERN N#Cc1cnn(-c2ccc(NC(=O)c3cc(F)c(F)c(F)c3F)cc2)c1N ZINC000071802090 1409824649 /nfs/dbraw/zinc/82/46/49/1409824649.db2.gz LEZHNWYZWNXQBN-UHFFFAOYSA-N 0 0 375.285 3.135 10 30 GGEERN CCOc1cccnc1C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 ZINC000079023919 1409951290 /nfs/dbraw/zinc/95/12/90/1409951290.db2.gz QRIGHTJPRRWBQB-UHFFFAOYSA-N 0 0 377.400 3.388 10 30 GGEERN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(F)F)c1ccccc1F ZINC000079071883 1409955038 /nfs/dbraw/zinc/95/50/38/1409955038.db2.gz HCJHCLDNACJKOL-UHFFFAOYSA-N 0 0 377.366 3.233 10 30 GGEERN CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccccc2OC2CCCC2)[C@@H](C#N)C1 ZINC000095939176 1410316111 /nfs/dbraw/zinc/31/61/11/1410316111.db2.gz GLLATAMYLMKWDS-YJBOKZPZSA-N 0 0 399.491 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/nfs/dbraw/zinc/45/60/14/1433456014.db2.gz TWLQIXAPRLCOOA-UHFFFAOYSA-N 0 0 386.459 3.435 10 30 GGEERN N#C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CCN1Cc1ccccc1 ZINC000246673769 1433648238 /nfs/dbraw/zinc/64/82/38/1433648238.db2.gz AVEPYAQOVMNSPU-NZSAHSFTSA-N 0 0 381.426 3.305 10 30 GGEERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3c(F)cc(C#N)cc3F)C[C@H]21 ZINC000248595837 1433810344 /nfs/dbraw/zinc/81/03/44/1433810344.db2.gz MJMFKFIQUODBHZ-WOSRLPQWSA-N 0 0 391.418 3.212 10 30 GGEERN COc1ccccc1CN=Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000252626649 1433863545 /nfs/dbraw/zinc/86/35/45/1433863545.db2.gz RCPLMHNLYOVJOJ-UHFFFAOYSA-N 0 0 395.511 3.307 10 30 GGEERN CN(N=Cc1ccccc1O)c1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000252678605 1433864213 /nfs/dbraw/zinc/86/42/13/1433864213.db2.gz GBVLITIYOQOMPZ-UHFFFAOYSA-N 0 0 395.511 3.028 10 30 GGEERN C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1cccc(C#Cc3ccccc3)c1)CS2 ZINC000253590449 1433869647 /nfs/dbraw/zinc/86/96/47/1433869647.db2.gz GQLDJJSUUQWGTB-DENIHFKCSA-N 0 0 376.481 3.479 10 30 GGEERN Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=NNC(N)=S ZINC000254304596 1433870828 /nfs/dbraw/zinc/87/08/28/1433870828.db2.gz LPFMCDUBLPRWAY-UHFFFAOYSA-N 0 0 376.700 3.367 10 30 GGEERN NS(=O)(=O)c1cccc(N=C2c3ccccc3N(Cc3ccccc3)C2=O)c1 ZINC000254294158 1433870841 /nfs/dbraw/zinc/87/08/41/1433870841.db2.gz XXTUQWNMJXRKSW-UHFFFAOYSA-N 0 0 391.452 3.002 10 30 GGEERN O=S(=O)(c1cccc(N=Cc2ccc(O)c(O)c2O)c1)N1CCCCCC1 ZINC000254308518 1433870873 /nfs/dbraw/zinc/87/08/73/1433870873.db2.gz LHURSPOHBUZUQU-UHFFFAOYSA-N 0 0 390.461 3.119 10 30 GGEERN COC(=O)c1ccccc1NC(=O)C=NOCc1cc(Cl)ccc1OC ZINC000254305076 1433870903 /nfs/dbraw/zinc/87/09/03/1433870903.db2.gz KNTMHRKNGCFYFO-UHFFFAOYSA-N 0 0 376.796 3.276 10 30 GGEERN COc1ccccc1NC(=S)NN=C1c2ccccc2N(CC(C)C)C1=O ZINC000254346383 1433871015 /nfs/dbraw/zinc/87/10/15/1433871015.db2.gz FJNWBEOOGRIZKY-UHFFFAOYSA-N 0 0 382.489 3.389 10 30 GGEERN CCCn1c(=O)c(=Cc2ccco2)sc1=C(C#N)c1nc2ccccc2s1 ZINC000254400743 1433871120 /nfs/dbraw/zinc/87/11/20/1433871120.db2.gz VATDDQXDWHTLDN-UHFFFAOYSA-N 0 0 393.493 3.074 10 30 GGEERN Cc1ccc(N=C2SCCCN2C(=O)[C@@H]2CCS(=O)(=O)C2)cc1Cl ZINC000254399456 1433871194 /nfs/dbraw/zinc/87/11/94/1433871194.db2.gz SCUDOMFTJYJCDL-GFCCVEGCSA-N 0 0 386.926 3.036 10 30 GGEERN Nc1ncnc(N=NCc2cn(Cc3ccccc3)c3ccccc23)c1[N+](=O)[O-] ZINC000254517260 1433871402 /nfs/dbraw/zinc/87/14/02/1433871402.db2.gz DWVJQJBDWTVWOW-UHFFFAOYSA-N 0 0 387.403 3.416 10 30 GGEERN COc1ccccc1CNC(=O)[C@H](C)ON=Cc1ccc(OC(F)F)cc1 ZINC000254497121 1433871407 /nfs/dbraw/zinc/87/14/07/1433871407.db2.gz ISRMXIYBVRJROG-ZDUSSCGKSA-N 0 0 378.375 3.352 10 30 GGEERN Cc1nn(-c2ccc(C)cc2)c(Cl)c1C=NNC(=S)NC[C@@H]1CCCO1 ZINC000254566529 1433871552 /nfs/dbraw/zinc/87/15/52/1433871552.db2.gz JKTZFZHPFUOMKJ-HNNXBMFYSA-N 0 0 391.928 3.120 10 30 GGEERN CN(C)c1ccc(C=c2sc3c(C#N)cc(C(=O)c4ccccc4)n3c2=O)cc1 ZINC000254704362 1433871679 /nfs/dbraw/zinc/87/16/79/1433871679.db2.gz PGHFRBQLGUBAMI-UHFFFAOYSA-N 0 0 399.475 3.077 10 30 GGEERN COc1ccc(CC(C)=NNS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000254742008 1433871844 /nfs/dbraw/zinc/87/18/44/1433871844.db2.gz JMOUVZGKNZAYLJ-UHFFFAOYSA-N 0 0 397.294 3.355 10 30 GGEERN CC(=NOCC(=O)OCC(=O)c1cc(C)ccc1C)c1ccc2c(c1)OCO2 ZINC000254759469 1433871875 /nfs/dbraw/zinc/87/18/75/1433871875.db2.gz WWPCGJLANABTIH-UHFFFAOYSA-N 0 0 383.400 3.199 10 30 GGEERN C=C(C)CNC(=S)NN=Cc1ccccc1OCc1ccc(C(=O)OC)cc1 ZINC000254821719 1433872107 /nfs/dbraw/zinc/87/21/07/1433872107.db2.gz DSQFFBDNZQFNKM-UHFFFAOYSA-N 0 0 397.500 3.426 10 30 GGEERN CC[C@H](ON=C(C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1cc(C)on1 ZINC000254849747 1433872125 /nfs/dbraw/zinc/87/21/25/1433872125.db2.gz TYSDMAGFIJPUQT-KRWDZBQOSA-N 0 0 384.436 3.489 10 30 GGEERN CCN(Cc1ccccc1)c1ccc(CN=Nc2ncnc(N)c2[N+](=O)[O-])cc1 ZINC000254850653 1433872256 /nfs/dbraw/zinc/87/22/56/1433872256.db2.gz AWGYZVINZYYZMY-UHFFFAOYSA-N 0 0 391.435 3.440 10 30 GGEERN CCOc1ccc(C=NOCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000254869105 1433872282 /nfs/dbraw/zinc/87/22/82/1433872282.db2.gz JMBJMXUFLPQFPI-OAHLLOKOSA-N 0 0 384.432 3.084 10 30 GGEERN O=C(CCNC(=O)C1N=CC=CC1=O)Nc1ccccc1Cc1ccccc1 ZINC000255031729 1433874619 /nfs/dbraw/zinc/87/46/19/1433874619.db2.gz BLGXUFJZBZWQNY-QURGRASLSA-N 0 0 375.428 3.132 10 30 GGEERN CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)S/C1=N/CCc1ccccn1 ZINC000255612889 1433886379 /nfs/dbraw/zinc/88/63/79/1433886379.db2.gz CCJAGTDHMPMKPA-MLSMKVKPSA-N 0 0 396.516 3.281 10 30 GGEERN C[C@H](NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1)C1CC1 ZINC000255675902 1433887781 /nfs/dbraw/zinc/88/77/81/1433887781.db2.gz BXJPZOARYVXQOA-RJHYDAJSSA-N 0 0 392.525 3.200 10 30 GGEERN COc1ccc(C=NOCC(=O)OCC(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000263627153 1434014070 /nfs/dbraw/zinc/01/40/70/1434014070.db2.gz RGKBPNYMZVOLDG-UHFFFAOYSA-N 0 0 381.428 3.351 10 30 GGEERN CC(C)(C)OC(=O)NCC1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000263992248 1434058771 /nfs/dbraw/zinc/05/87/71/1434058771.db2.gz AAZCVFHHWLCIIL-UHFFFAOYSA-N 0 0 376.432 3.466 10 30 GGEERN 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GGEERN C[C@H](OC(=O)[C@H]1COc2ccc(Cl)cc2C1)C(=O)Nc1sccc1C#N ZINC000007551743 221001525 /nfs/dbraw/zinc/00/15/25/221001525.db2.gz GZYNENFGZNSDCX-GXFFZTMASA-N 0 0 390.848 3.395 10 30 GGEERN N#Cc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008039975 221024886 /nfs/dbraw/zinc/02/48/86/221024886.db2.gz SAPFNTQYNCLHOT-QGZVFWFLSA-N 0 0 384.457 3.245 10 30 GGEERN Cn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccco1 ZINC000008189864 221030428 /nfs/dbraw/zinc/03/04/28/221030428.db2.gz VINOJUWPQYUAKL-UHFFFAOYSA-N 0 0 385.474 3.228 10 30 GGEERN N#CC1(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)CCCCC1 ZINC000008275274 221034047 /nfs/dbraw/zinc/03/40/47/221034047.db2.gz HCSGXWXRVGNUOL-SFHVURJKSA-N 0 0 383.492 3.327 10 30 GGEERN Cc1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C[C@@H]2CCCO2)s1 ZINC000008324328 221037048 /nfs/dbraw/zinc/03/70/48/221037048.db2.gz RWIQZDZUHGIRCF-ZDUSSCGKSA-N 0 0 391.522 3.046 10 30 GGEERN CCCCNS(=O)(=O)c1ccc2[nH]c(Sc3ncccc3C#N)nc2c1 ZINC000007985936 221019563 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COc1cc(OC)c(OC)cc1CNC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000012794117 221233127 /nfs/dbraw/zinc/23/31/27/221233127.db2.gz ONYPUTVBGOYPHI-UHFFFAOYSA-N 0 0 395.415 3.206 10 30 GGEERN COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)N[C@H]1c1cccc(C#N)c1 ZINC000012999242 221255869 /nfs/dbraw/zinc/25/58/69/221255869.db2.gz OHWWHICYWFJHNO-SFHVURJKSA-N 0 0 392.371 3.184 10 30 GGEERN CCOC(=O)c1cc(C#N)c(SCC(=O)N2C[C@H](C)C[C@H](C)C2)nc1C ZINC000013987470 221294545 /nfs/dbraw/zinc/29/45/45/221294545.db2.gz OEGMZGBPRRWKEK-BETUJISGSA-N 0 0 375.494 3.035 10 30 GGEERN COc1cc(Cl)ccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C#N)cc1 ZINC000014022922 221297062 /nfs/dbraw/zinc/29/70/62/221297062.db2.gz RTQBIYBOYDYEPX-GOSISDBHSA-N 0 0 396.834 3.487 10 30 GGEERN C=CCOc1ccc(/C=C2\CS(=O)(=O)c3c(F)cccc3C2=O)cc1OC ZINC000014020902 221297691 /nfs/dbraw/zinc/29/76/91/221297691.db2.gz OSVKKTSFZAFHDJ-GXDHUFHOSA-N 0 0 388.416 3.453 10 30 GGEERN Cc1nc(SCC(=O)Nc2ccc(C#N)c(Cl)c2)c(C(N)=O)c(C)c1C ZINC000014244624 221307160 /nfs/dbraw/zinc/30/71/60/221307160.db2.gz ABNBQSYHGCZERF-UHFFFAOYSA-N 0 0 388.880 3.362 10 30 GGEERN N#Cc1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)cc1 ZINC000065096223 136159089 /nfs/dbraw/zinc/15/90/89/136159089.db2.gz NNTDITWTIZAZJQ-UHFFFAOYSA-N 0 0 393.468 3.338 10 30 GGEERN N#Cc1ccc(N2CCC([C@@H]3CCCCCN3C(=O)C3CCOCC3)CC2)nc1 ZINC000069745058 136165296 /nfs/dbraw/zinc/16/52/96/136165296.db2.gz RLDYSDLPORGPAU-NRFANRHFSA-N 0 0 396.535 3.367 10 30 GGEERN CC(C)n1ncc2cc(CNc3ccc(N4CCC(O)CC4)c(C#N)c3)cnc21 ZINC000170642705 136199211 /nfs/dbraw/zinc/19/92/11/136199211.db2.gz IUIHNXKJQMPWAF-UHFFFAOYSA-N 0 0 390.491 3.457 10 30 GGEERN COc1ccc([C@H](C)NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc1F ZINC000024909654 221621317 /nfs/dbraw/zinc/62/13/17/221621317.db2.gz JEYOFDCVNICOOI-LBPRGKRZSA-N 0 0 395.438 3.176 10 30 GGEERN COc1cc(OC)cc(C(=O)NCCNc2nc3ccc(C)cc3cc2C#N)c1 ZINC000034262934 221798950 /nfs/dbraw/zinc/79/89/50/221798950.db2.gz QSKLLMQGRDUABS-UHFFFAOYSA-N 0 0 390.443 3.274 10 30 GGEERN Cc1[nH]c2c(C#N)cnn2c(=O)c1CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000040115042 221907844 /nfs/dbraw/zinc/90/78/44/221907844.db2.gz CDBBNXRRSVGPCX-LBPRGKRZSA-N 0 0 393.472 3.075 10 30 GGEERN Cc1ccc2c([nH]c3c(c2=O)CN(CC(=O)Nc2cccc(C#N)c2)CC3)c1C ZINC000065034927 222095829 /nfs/dbraw/zinc/09/58/29/222095829.db2.gz BSRYHFQEWAUDBM-UHFFFAOYSA-N 0 0 386.455 3.013 10 30 GGEERN CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000058132835 222039871 /nfs/dbraw/zinc/03/98/71/222039871.db2.gz QRCNADYEMNSBRW-UHFFFAOYSA-N 0 0 391.258 3.374 10 30 GGEERN Cc1oc(C2CCN(C(=O)c3cccc(C#N)c3)CC2)nc1C(=O)N1CCCC1 ZINC000065232209 222112881 /nfs/dbraw/zinc/11/28/81/222112881.db2.gz HBOWOSXIFNHZHF-UHFFFAOYSA-N 0 0 392.459 3.111 10 30 GGEERN Cc1ccccc1OCc1nc(CCN(C)C(=O)c2ccc(C#N)cc2)no1 ZINC000064841111 222084653 /nfs/dbraw/zinc/08/46/53/222084653.db2.gz GLGJNKLKLWOCMQ-UHFFFAOYSA-N 0 0 376.416 3.143 10 30 GGEERN CC(=O)N1CCCSc2ccc(S(=O)(=O)Nc3ccc(C#N)cc3)cc21 ZINC000064952083 222089261 /nfs/dbraw/zinc/08/92/61/222089261.db2.gz GBRRYUBYXAZJHZ-UHFFFAOYSA-N 0 0 387.486 3.208 10 30 GGEERN Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)Nc2cccc(C#N)c2)c1 ZINC000067246450 222142688 /nfs/dbraw/zinc/14/26/88/222142688.db2.gz HXWZJLVAAJFVRZ-UHFFFAOYSA-N 0 0 387.443 3.423 10 30 GGEERN CCOc1ccc(-c2cc(-c3sc(N)nc3C)nc(N)c2C#N)cc1CO ZINC000071589636 222185390 /nfs/dbraw/zinc/18/53/90/222185390.db2.gz WFHCFIPNNUXMKV-UHFFFAOYSA-N 0 0 381.461 3.108 10 30 GGEERN Cc1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(C#N)cc2)CCCN(C)C1 ZINC000085393399 222323561 /nfs/dbraw/zinc/32/35/61/222323561.db2.gz PMVNDCKYQDFAJK-UHFFFAOYSA-N 0 0 379.485 3.436 10 30 GGEERN CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000089340159 222328030 /nfs/dbraw/zinc/32/80/30/222328030.db2.gz FNRONSXLMRCDSA-QGZVFWFLSA-N 0 0 388.468 3.296 10 30 GGEERN CO[C@H]1CCN(Cc2ccc(F)cc2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000096006541 222371424 /nfs/dbraw/zinc/37/14/24/222371424.db2.gz AOXODUKPSCHDKW-MSOLQXFVSA-N 0 0 377.460 3.201 10 30 GGEERN COc1ccccc1-n1c2nnc(SCCC#N)n2c2ccccc2c1=O ZINC000015241176 533927705 /nfs/dbraw/zinc/92/77/05/533927705.db2.gz CGCJPJDTQRHCCL-UHFFFAOYSA-N 0 0 377.429 3.048 10 30 GGEERN COc1ccc(NC(=O)c2ccc(NCC(=O)NC3(C#N)CCCC3)cc2)cc1 ZINC000040162270 534171179 /nfs/dbraw/zinc/17/11/79/534171179.db2.gz HCPKESIAIALPPY-UHFFFAOYSA-N 0 0 392.459 3.312 10 30 GGEERN COC(=O)c1conc1C(C)(C)NC(=O)CCc1c(C)nc(SC)nc1C ZINC000328593382 534326410 /nfs/dbraw/zinc/32/64/10/534326410.db2.gz MEOFPXSHQSPWRA-UHFFFAOYSA-N 0 0 392.481 3.414 10 30 GGEERN C#CCN(CC(=O)Nc1sccc1C(=O)OCC)[C@H]1CCc2ccccc21 ZINC000032935652 518259046 /nfs/dbraw/zinc/25/90/46/518259046.db2.gz HUCDVLLIWHQKRS-SFHVURJKSA-N 0 0 382.485 3.486 10 30 GGEERN C#CCNC(=O)Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000032678953 518277879 /nfs/dbraw/zinc/27/78/79/518277879.db2.gz XXSCVBQVODJYPG-UHFFFAOYSA-N 0 0 397.283 3.086 10 30 GGEERN C#CCOc1c(Cl)cc(/C=C/C(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1OC ZINC000012772404 518316107 /nfs/dbraw/zinc/31/61/07/518316107.db2.gz GBMQNZSUKSXXDL-QPJJXVBHSA-N 0 0 382.803 3.426 10 30 GGEERN C=C(C)C(=O)Nc1ccc2c(c1)C(=O)N(c1ccc(C(=O)OCC)cc1)C2=O ZINC000003100197 518587662 /nfs/dbraw/zinc/58/76/62/518587662.db2.gz JACRCDNGRFDTKN-UHFFFAOYSA-N 0 0 378.384 3.179 10 30 GGEERN Cn1nnnc1-c1cccc(NC(=O)/C=C/c2cn(CCC#N)c3ccccc23)c1 ZINC000009905659 534367222 /nfs/dbraw/zinc/36/72/22/534367222.db2.gz NSJVTOWJTFGIGI-ZHACJKMWSA-N 0 0 397.442 3.397 10 30 GGEERN C=CCC1(CC=C)CCCN1C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1F ZINC000055166359 518689957 /nfs/dbraw/zinc/68/99/57/518689957.db2.gz IPGSGLCVARKOEU-HXUWFJFHSA-N 0 0 399.510 3.030 10 30 GGEERN C=CCN(C(=O)c1cccc(OC)c1)[C@@H](C)C(=O)c1c(C)[nH]c(C(=O)OC)c1C ZINC000036004254 518738824 /nfs/dbraw/zinc/73/88/24/518738824.db2.gz DCUDCQBXNVHUFC-HNNXBMFYSA-N 0 0 398.459 3.326 10 30 GGEERN C=CCN(C(=O)c1ccc(F)cc1)[C@@H](C)C(=O)c1c(C)[nH]c(C(=O)OC)c1C ZINC000036004228 518739323 /nfs/dbraw/zinc/73/93/23/518739323.db2.gz KEISCTLSSHGNPC-AWEZNQCLSA-N 0 0 386.423 3.457 10 30 GGEERN C=CCN(C(=O)c1cccs1)[C@H](C)C(=O)c1c(C)c(C(=O)OC)n(C)c1C ZINC000036018416 518740675 /nfs/dbraw/zinc/74/06/75/518740675.db2.gz JHIOOVQHXYDLOP-CQSZACIVSA-N 0 0 388.489 3.390 10 30 GGEERN C=CCN(CC(=O)Nc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000009376986 518757623 /nfs/dbraw/zinc/75/76/23/518757623.db2.gz TVULFLKJRWEDDE-UHFFFAOYSA-N 0 0 389.864 3.027 10 30 GGEERN C=CCN(CC(=O)c1c(C)c(C(=O)OC)n(C)c1C)C(=O)c1cccc(F)c1 ZINC000036014545 518760657 /nfs/dbraw/zinc/76/06/57/518760657.db2.gz JNSQDFCOMFWHRT-UHFFFAOYSA-N 0 0 386.423 3.079 10 30 GGEERN C=CCN(CC=C)C(=O)CSc1nc2ncccc2c(=O)n1-c1ccccc1 ZINC000014084071 518765288 /nfs/dbraw/zinc/76/52/88/518765288.db2.gz NNBYCSJAVOBRBY-UHFFFAOYSA-N 0 0 392.484 3.073 10 30 GGEERN C=CCN(Cc1cnc(Nc2ccccc2C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000023232067 518792394 /nfs/dbraw/zinc/79/23/94/518792394.db2.gz DVCVBAZRMPYKDB-OAHLLOKOSA-N 0 0 377.535 3.370 10 30 GGEERN C=CCN1C(=O)N[C@@H](c2ccsc2)C(C(=O)OCC)=C1CN1CCCCC1 ZINC000035991759 518841070 /nfs/dbraw/zinc/84/10/70/518841070.db2.gz MOAUFDDHVOOXKI-SFHVURJKSA-N 0 0 389.521 3.304 10 30 GGEERN C=CCNC(=O)C1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 ZINC000013352091 518884625 /nfs/dbraw/zinc/88/46/25/518884625.db2.gz FKVOZGXJBJZRBC-UHFFFAOYSA-N 0 0 391.471 3.093 10 30 GGEERN C=CCNC(=O)c1cccn(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)c1=O ZINC000065062753 518943515 /nfs/dbraw/zinc/94/35/15/518943515.db2.gz VVYDGLKGNSJDPF-UHFFFAOYSA-N 0 0 387.439 3.314 10 30 GGEERN C=CCNS(=O)(=O)c1cccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 ZINC000017062752 518957097 /nfs/dbraw/zinc/95/70/97/518957097.db2.gz YARQUFRPSCDBSR-UHFFFAOYSA-N 0 0 388.533 3.097 10 30 GGEERN C=CCNc1nnc(SCC(=O)N(CCC#N)c2ccc(F)cc2)s1 ZINC000008881990 518965730 /nfs/dbraw/zinc/96/57/30/518965730.db2.gz KFOZPAHICZBGMA-UHFFFAOYSA-N 0 0 377.470 3.314 10 30 GGEERN C=CCOC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C)O ZINC000097974722 518975410 /nfs/dbraw/zinc/97/54/10/518975410.db2.gz GLXCMMPBFKKXPV-XOBRGWDASA-N 0 0 381.428 3.004 10 30 GGEERN C=CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(=O)nc(SCCC)n2C ZINC000058111031 519073133 /nfs/dbraw/zinc/07/31/33/519073133.db2.gz XEOVJXNYJPAPIC-AWEZNQCLSA-N 0 0 385.489 3.321 10 30 GGEERN C=CCOc1ccccc1[C@H]1CC(=O)Nc2c1c(=O)nc(SCC=C)n2C ZINC000046017860 519073634 /nfs/dbraw/zinc/07/36/34/519073634.db2.gz RIBMEBRJBWDPIX-CQSZACIVSA-N 0 0 383.473 3.097 10 30 GGEERN C=CCOc1ccccc1[C@H]1CC(=O)Nc2c1c(=O)nc(SCCC)n2C ZINC000058111025 519074306 /nfs/dbraw/zinc/07/43/06/519074306.db2.gz XEOVJXNYJPAPIC-CQSZACIVSA-N 0 0 385.489 3.321 10 30 GGEERN C=CCn1c(SCC(=O)N(C)Cc2ccsc2)nc2sccc2c1=O ZINC000014198385 519198848 /nfs/dbraw/zinc/19/88/48/519198848.db2.gz HDXMYOUMPTZMFS-UHFFFAOYSA-N 0 0 391.543 3.456 10 30 GGEERN C=CCn1c(SCC(=O)NC(=O)Cc2ccccc2)nnc1-c1ccccc1 ZINC000002620625 519204604 /nfs/dbraw/zinc/20/46/04/519204604.db2.gz LCOHXCDBRAETJB-UHFFFAOYSA-N 0 0 392.484 3.109 10 30 GGEERN C=CCn1c(SCC(=O)Nc2ccnn2C(C)C)nc2ccsc2c1=O ZINC000023175823 519225763 /nfs/dbraw/zinc/22/57/63/519225763.db2.gz IMCZRJFPHSNUQN-UHFFFAOYSA-N 0 0 389.506 3.152 10 30 GGEERN CC(=O)C1=C(OC(=O)c2ccccc2)c2ccccc2S(=O)(=O)N1C(C)C ZINC000020894027 519369925 /nfs/dbraw/zinc/36/99/25/519369925.db2.gz BZUBRMUFJDWUQK-UHFFFAOYSA-N 0 0 385.441 3.214 10 30 GGEERN CC(C)N1c2ccccc2[C@](O)(CC(=O)C=Cc2ccc3c(c2)OCO3)C1=O ZINC000033563425 519699469 /nfs/dbraw/zinc/69/94/69/519699469.db2.gz INSZZTVJIIVLKE-QZQRZDCMSA-N 0 0 379.412 3.031 10 30 GGEERN CCCCC(=O)N[C@]1(C(F)(F)F)C(=O)N(Cc2ccco2)C(C)=C1C(C)=O ZINC000020070485 519914145 /nfs/dbraw/zinc/91/41/45/519914145.db2.gz FHVMNRRWNROKGV-KRWDZBQOSA-N 0 0 386.370 3.092 10 30 GGEERN CCCCCCCN1C(=O)[C@@H](CC(N)=O)S/C1=N\c1ccc(OC)cc1 ZINC000102407274 520050945 /nfs/dbraw/zinc/05/09/45/520050945.db2.gz DBYBZRMTKLNDAQ-BSBNDGSWSA-N 0 0 377.510 3.473 10 30 GGEERN CC/N=C1/S/C(=C\c2cc3c(cc2Br)OCO3)C(=O)N1CC ZINC000103476973 520206516 /nfs/dbraw/zinc/20/65/16/520206516.db2.gz FYFZWLJPJJVQNI-SOPGMWILSA-N 0 0 383.267 3.490 10 30 GGEERN CCCCN1C(C(C)=O)=C(OC(=O)c2ccco2)c2ccccc2S1(=O)=O ZINC000020893968 520568194 /nfs/dbraw/zinc/56/81/94/520568194.db2.gz LQQJIUZGWPITKJ-UHFFFAOYSA-N 0 0 389.429 3.199 10 30 GGEERN CCOC(=O)CCC(=O)[C@H](C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1 ZINC000032682264 520624691 /nfs/dbraw/zinc/62/46/91/520624691.db2.gz JMMUGAMNLMMGRA-ZDUSSCGKSA-N 0 0 388.445 3.347 10 30 GGEERN CCOc1ccc(C=NN2C(=S)N=NC2COc2ccccc2)cc1OC ZINC000001475914 520856110 /nfs/dbraw/zinc/85/61/10/520856110.db2.gz LGSHRAQSQLXYDY-NDENLUEZSA-N 0 0 384.461 3.435 10 30 GGEERN CCCCS[C@H](C)C(=O)[C@H](C#N)c1ccc(S(=O)(=O)N(CC)CC)cn1 ZINC000058159233 520975697 /nfs/dbraw/zinc/97/56/97/520975697.db2.gz WMNWRDXXFFVZTF-GDBMZVCRSA-N 0 0 397.566 3.210 10 30 GGEERN CCCCS[C@H](C)C(=O)[C@@H](C#N)c1ccc(S(=O)(=O)N(CC)CC)cn1 ZINC000058159231 520976776 /nfs/dbraw/zinc/97/67/76/520976776.db2.gz WMNWRDXXFFVZTF-ZBFHGGJFSA-N 0 0 397.566 3.210 10 30 GGEERN CCOC(=O)c1ccc(N2CCOCC2)c(/N=C/c2cccc(OC)c2O)c1 ZINC000001037227 521487220 /nfs/dbraw/zinc/48/72/20/521487220.db2.gz QCZMTKPQDWWPSR-HYARGMPZSA-N 0 0 384.432 3.165 10 30 GGEERN CCNC(=O)COc1ccc(/C=C\C(=O)c2ccc3c(c2)OCO3)cc1OCC ZINC000096766840 521738532 /nfs/dbraw/zinc/73/85/32/521738532.db2.gz HUOLRAPDLBSRRG-YVMONPNESA-N 0 0 397.427 3.225 10 30 GGEERN COc1c(Br)csc1C(=O)ONC(=N)c1ccc(F)cc1F ZINC000004324077 521777981 /nfs/dbraw/zinc/77/79/81/521777981.db2.gz ONRYGDIDMHWEDM-UHFFFAOYSA-N 0 0 391.193 3.275 10 30 GGEERN CN(C)S(=O)(=O)c1cccc(/N=C2\SCCN2Cc2ccccc2)c1 ZINC000018176677 521994928 /nfs/dbraw/zinc/99/49/28/521994928.db2.gz IBBZISQJUWRQRG-HNENSFHCSA-N 0 0 375.519 3.173 10 30 GGEERN CN(CCC#N)C(=O)COC(=O)c1ccccc1Sc1ccccc1C#N ZINC000003285460 522668760 /nfs/dbraw/zinc/66/87/60/522668760.db2.gz ITEQBYXTGWZQPZ-UHFFFAOYSA-N 0 0 379.441 3.238 10 30 GGEERN COC(=O)/C(=N/Nc1ccc(Cl)cc1)Sc1nnnn1-c1ccccc1 ZINC000002202430 522740539 /nfs/dbraw/zinc/74/05/39/522740539.db2.gz VSKSWPNWWLVQMD-RGEXLXHISA-N 0 0 388.840 3.006 10 30 GGEERN COC(=O)C1=C(Nc2ccc(OC)c(OC)c2)SC(=Cc2ccccn2)C1=O ZINC000036257582 522894770 /nfs/dbraw/zinc/89/47/70/522894770.db2.gz 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C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1cccc(Br)c1 ZINC000102962770 564940457 /nfs/dbraw/zinc/94/04/57/564940457.db2.gz JJACFXAEXOKJAQ-SNVBAGLBSA-N 0 0 390.212 3.276 10 30 GGEERN COc1ccc(Br)cc1S(=O)(=O)N(CCC#N)CCC(C)C ZINC000103496142 564949512 /nfs/dbraw/zinc/94/95/12/564949512.db2.gz CXDSGXGKGRRJHY-UHFFFAOYSA-N 0 0 389.315 3.408 10 30 GGEERN C=CCn1c(Sc2ncncc2Br)nnc1-c1ccccn1 ZINC000152392338 564958062 /nfs/dbraw/zinc/95/80/62/564958062.db2.gz IRYYWAUKXOHRLV-UHFFFAOYSA-N 0 0 375.255 3.230 10 30 GGEERN CCc1ccc(S(=O)(=O)N2CCC(Oc3cccc(C#N)c3)CC2)s1 ZINC000104746381 564959253 /nfs/dbraw/zinc/95/92/53/564959253.db2.gz XEOYTQVMFAZUSV-UHFFFAOYSA-N 0 0 376.503 3.414 10 30 GGEERN N#Cc1cn(Cc2nc(-c3ccoc3)no2)c2ccc(Br)cc2c1=O ZINC000105573777 564969018 /nfs/dbraw/zinc/96/90/18/564969018.db2.gz ILUUOGKPAJOTMZ-UHFFFAOYSA-N 0 0 397.188 3.327 10 30 GGEERN Cc1ccc(Br)cc1NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000105752438 564973851 /nfs/dbraw/zinc/97/38/51/564973851.db2.gz SLVBYLAIGQFDKQ-UHFFFAOYSA-N 0 0 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376.865 3.362 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)N1[C@H](C)CCC[C@H]1C ZINC000155387810 565066898 /nfs/dbraw/zinc/06/68/98/565066898.db2.gz AXBKPHHAZUEOOD-VXGBXAGGSA-N 0 0 381.270 3.498 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)N(CC(C)C)C1CC1 ZINC000155381004 565066921 /nfs/dbraw/zinc/06/69/21/565066921.db2.gz GWCPMTUOTMHTIP-UHFFFAOYSA-N 0 0 381.270 3.355 10 30 GGEERN N#Cc1cccc(C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)c1 ZINC000155381810 565066963 /nfs/dbraw/zinc/06/69/63/565066963.db2.gz KZNCRTAHPFLYQX-UHFFFAOYSA-N 0 0 384.277 3.279 10 30 GGEERN C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000112908211 565066977 /nfs/dbraw/zinc/06/69/77/565066977.db2.gz FPONCRAOUOYZPP-ABAIWWIYSA-N 0 0 376.243 3.493 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)NCC1CCCCC1 ZINC000155387389 565066989 /nfs/dbraw/zinc/06/69/89/565066989.db2.gz NTEMCQZMSHOQDR-UHFFFAOYSA-N 0 0 381.270 3.405 10 30 GGEERN C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000112908213 565067094 /nfs/dbraw/zinc/06/70/94/565067094.db2.gz FPONCRAOUOYZPP-IAQYHMDHSA-N 0 0 376.243 3.493 10 30 GGEERN CCS(=O)(=O)c1ccc(CC(=O)N[C@H](C#N)c2ccc(Cl)cc2)cc1 ZINC000113177379 565068208 /nfs/dbraw/zinc/06/82/08/565068208.db2.gz SPCAFYGUHPLYMD-QGZVFWFLSA-N 0 0 376.865 3.057 10 30 GGEERN C=CCCOCCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000155517774 565068416 /nfs/dbraw/zinc/06/84/16/565068416.db2.gz CKCYHLINPNZMOG-UHFFFAOYSA-N 0 0 378.270 3.266 10 30 GGEERN Cc1nn(C)c(C)c1[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000113862198 565071174 /nfs/dbraw/zinc/07/11/74/565071174.db2.gz IIBYTSSLITUURJ-HNNXBMFYSA-N 0 0 378.885 3.088 10 30 GGEERN Cc1nn(C)c(C)c1[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000113862200 565071176 /nfs/dbraw/zinc/07/11/76/565071176.db2.gz IIBYTSSLITUURJ-OAHLLOKOSA-N 0 0 378.885 3.088 10 30 GGEERN C=CCNC(=O)c1ccc(NC(=O)C(=O)c2ccc(Br)cc2)cc1 ZINC000114243851 565073168 /nfs/dbraw/zinc/07/31/68/565073168.db2.gz UXEXRZFCTMMLPI-UHFFFAOYSA-N 0 0 387.233 3.186 10 30 GGEERN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cncc(Br)c1 ZINC000156034259 565074231 /nfs/dbraw/zinc/07/42/31/565074231.db2.gz FYHLLWUXKHCRGM-UHFFFAOYSA-N 0 0 387.237 3.463 10 30 GGEERN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccc2c(c1)OCCO2 ZINC000156181619 565075673 /nfs/dbraw/zinc/07/56/73/565075673.db2.gz MEBCELDYXHAHJG-NSHDSACASA-N 0 0 378.837 3.022 10 30 GGEERN C=CC[C@H](CO)NC(=O)Nc1cc(Br)ccc1Br ZINC000183542333 565078632 /nfs/dbraw/zinc/07/86/32/565078632.db2.gz LCHAOKWQNONCFC-SECBINFHSA-N 0 0 378.064 3.270 10 30 GGEERN C[C@@]12CCN(S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)C[C@@H]1C2(F)F ZINC000291845016 565080381 /nfs/dbraw/zinc/08/03/81/565080381.db2.gz AXHMYBVGAFCQHZ-IXIIUGLYSA-N 0 0 377.281 3.048 10 30 GGEERN N#C[C@@H]1CN(C(=O)Nc2ccc(Br)cc2Cl)CCN1C1CC1 ZINC000369219177 565081064 /nfs/dbraw/zinc/08/10/64/565081064.db2.gz MQVYRSPYJWOKLQ-GFCCVEGCSA-N 0 0 383.677 3.307 10 30 GGEERN N#Cc1cccnc1-n1cc(NC(=O)c2c(F)cccc2Br)cn1 ZINC000183656201 565086273 /nfs/dbraw/zinc/08/62/73/565086273.db2.gz FQAAIWQLNFPVPQ-UHFFFAOYSA-N 0 0 386.184 3.293 10 30 GGEERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@H](C#N)c2ccc(Br)cc2)C1 ZINC000266824538 565092232 /nfs/dbraw/zinc/09/22/32/565092232.db2.gz LJRPVEVUJSDHBC-UMVBOHGHSA-N 0 0 379.254 3.109 10 30 GGEERN COc1ccc([C@@H](C)NS(=O)(=O)c2cccc(Cl)c2C#N)cc1OC ZINC000156573093 565094636 /nfs/dbraw/zinc/09/46/36/565094636.db2.gz NVIAUFWQAGGYKV-LLVKDONJSA-N 0 0 380.853 3.268 10 30 GGEERN C=CC[C@H](CO)NC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000183818322 565096395 /nfs/dbraw/zinc/09/63/95/565096395.db2.gz WDWOEEKKJJSACX-LLVKDONJSA-N 0 0 381.192 3.204 10 30 GGEERN C=CC[C@@H](CO)NC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000183818311 565096695 /nfs/dbraw/zinc/09/66/95/565096695.db2.gz WDWOEEKKJJSACX-NSHDSACASA-N 0 0 381.192 3.204 10 30 GGEERN CC(C)c1nnc(CCC(=O)N[C@H](C#N)c2ccc(Br)cc2)o1 ZINC000266956747 565098036 /nfs/dbraw/zinc/09/80/36/565098036.db2.gz XVIITGZNABOGOB-CYBMUJFWSA-N 0 0 377.242 3.269 10 30 GGEERN CC[C@H](CC#N)NC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000183885485 565100857 /nfs/dbraw/zinc/10/08/57/565100857.db2.gz AOGHKNUMHBAQKP-CYBMUJFWSA-N 0 0 388.269 3.329 10 30 GGEERN N#Cc1ccc(-c2nnc(CN[C@H](CO)c3cccc(Br)c3)o2)cc1 ZINC000183908982 565103005 /nfs/dbraw/zinc/10/30/05/565103005.db2.gz ARRMTNQLAXNYOU-MRXNPFEDSA-N 0 0 399.248 3.194 10 30 GGEERN N#Cc1ccc(CNC(=O)c2ncc(Br)cc2Br)cc1 ZINC000183952362 565105929 /nfs/dbraw/zinc/10/59/29/565105929.db2.gz KELXIQZDMLREBK-UHFFFAOYSA-N 0 0 395.054 3.408 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)ccc1F ZINC000184236915 565121620 /nfs/dbraw/zinc/12/16/20/565121620.db2.gz QCWSIRRCVLXXJX-QGZVFWFLSA-N 0 0 380.828 3.113 10 30 GGEERN COc1ccc(-c2nc(SCCOCCC#N)n[nH]2)cc1Br ZINC000292611536 565124487 /nfs/dbraw/zinc/12/44/87/565124487.db2.gz ITFYNNUETFGYJQ-UHFFFAOYSA-N 0 0 383.271 3.265 10 30 GGEERN C[C@@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184334525 565129901 /nfs/dbraw/zinc/12/99/01/565129901.db2.gz KQGUZZNXZIBTNB-DYVFJYSZSA-N 0 0 376.865 3.362 10 30 GGEERN N#C[C@@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000370257532 565136132 /nfs/dbraw/zinc/13/61/32/565136132.db2.gz RCYCKEONJGBAIG-UONOGXRCSA-N 0 0 377.447 3.117 10 30 GGEERN C[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1nc(C(C)(C)C)cs1 ZINC000184470037 565136598 /nfs/dbraw/zinc/13/65/98/565136598.db2.gz ICFVLYAGPPRQTL-ZDUSSCGKSA-N 0 0 377.535 3.437 10 30 GGEERN Cn1cc(C#N)cc1C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000184474642 565136871 /nfs/dbraw/zinc/13/68/71/565136871.db2.gz WDABTVZTNRLSJQ-MRXNPFEDSA-N 0 0 392.228 3.012 10 30 GGEERN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000370286632 565137131 /nfs/dbraw/zinc/13/71/31/565137131.db2.gz XJQRFKGCUADGJV-WFASDCNBSA-N 0 0 386.315 3.065 10 30 GGEERN Cn1cc(C#N)cc1C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000184474619 565137404 /nfs/dbraw/zinc/13/74/04/565137404.db2.gz WDABTVZTNRLSJQ-INIZCTEOSA-N 0 0 392.228 3.012 10 30 GGEERN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)c1cc(C#N)cn1C ZINC000157642768 565139561 /nfs/dbraw/zinc/13/95/61/565139561.db2.gz CEYDNIXWFYUKFX-YVEFUNNKSA-N 0 0 388.265 3.261 10 30 GGEERN C[C@@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)c1cc(C#N)cn1C ZINC000157642911 565140093 /nfs/dbraw/zinc/14/00/93/565140093.db2.gz CEYDNIXWFYUKFX-PXAZEXFGSA-N 0 0 388.265 3.261 10 30 GGEERN C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000268114016 565140973 /nfs/dbraw/zinc/14/09/73/565140973.db2.gz BEOZXXJNGTVENN-ZDUSSCGKSA-N 0 0 381.523 3.122 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCC(c3ccc(O)cc3)CC2)ccc1Cl ZINC000158253212 565162295 /nfs/dbraw/zinc/16/22/95/565162295.db2.gz NEGVISDVKDGRMC-UHFFFAOYSA-N 0 0 376.865 3.486 10 30 GGEERN N#C[C@@H]1CN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CCN1C1CC1 ZINC000370971727 565170193 /nfs/dbraw/zinc/17/01/93/565170193.db2.gz FTFKDCGBHHXXIQ-CYBMUJFWSA-N 0 0 392.937 3.266 10 30 GGEERN CCC1(CC)CN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC[S@@]1=O ZINC000185250445 565190386 /nfs/dbraw/zinc/19/03/86/565190386.db2.gz AKOLTJLYVBQGSM-CANCMXDXSA-N 0 0 381.929 3.162 10 30 GGEERN C[C@H](CC(=O)NC[C@H]1CCCN(CC#N)C1)c1ccc(Br)cc1 ZINC000269541567 565193969 /nfs/dbraw/zinc/19/39/69/565193969.db2.gz PYBNKYZSCBHKKH-HUUCEWRRSA-N 0 0 378.314 3.294 10 30 GGEERN Cc1cc(=NC(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)[nH]n1CCC#N ZINC000371513968 565197862 /nfs/dbraw/zinc/19/78/62/565197862.db2.gz JFRFBODKFGOJJR-GFCCVEGCSA-N 0 0 380.235 3.089 10 30 GGEERN COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)c1ccccc1Br ZINC000185398809 565199034 /nfs/dbraw/zinc/19/90/34/565199034.db2.gz NRADDAWBNFDNFX-NSHDSACASA-N 0 0 395.278 3.369 10 30 GGEERN COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)c1ccccc1Br ZINC000185398824 565199564 /nfs/dbraw/zinc/19/95/64/565199564.db2.gz NRADDAWBNFDNFX-LLVKDONJSA-N 0 0 395.278 3.369 10 30 GGEERN N#CC1(NC(=O)c2ccc(Br)o2)CCN(Cc2ccccc2)CC1 ZINC000371542149 565199864 /nfs/dbraw/zinc/19/98/64/565199864.db2.gz IIELXDXQRKWZHM-UHFFFAOYSA-N 0 0 388.265 3.330 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCSC[C@@H]2c2nccs2)ccc1Cl ZINC000185420506 565200217 /nfs/dbraw/zinc/20/02/17/565200217.db2.gz LBKZMNXUKBSSFK-CYBMUJFWSA-N 0 0 385.923 3.147 10 30 GGEERN N#C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)C1CCCC1)c1ccc(Cl)cc1 ZINC000159352649 565202913 /nfs/dbraw/zinc/20/29/13/565202913.db2.gz AJYIVSSUPYXXJN-CVEARBPZSA-N 0 0 377.897 3.113 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)c(Cl)c1 ZINC000371642137 565203450 /nfs/dbraw/zinc/20/34/50/565203450.db2.gz LRCBJMGZTYKTQA-MAUKXSAKSA-N 0 0 376.865 3.268 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)c(Cl)c1 ZINC000371642136 565203464 /nfs/dbraw/zinc/20/34/64/565203464.db2.gz LRCBJMGZTYKTQA-CRAIPNDOSA-N 0 0 376.865 3.268 10 30 GGEERN N#C[C@H](NC(=O)[C@@H]1CSCN1C(=O)C1CCCC1)c1ccc(Cl)cc1 ZINC000159352777 565203489 /nfs/dbraw/zinc/20/34/89/565203489.db2.gz AJYIVSSUPYXXJN-HOTGVXAUSA-N 0 0 377.897 3.113 10 30 GGEERN N#CCCn1ccc(=NC(=O)N2CCC[C@@H]2c2ccc(Br)s2)[nH]1 ZINC000371772686 565209460 /nfs/dbraw/zinc/20/94/60/565209460.db2.gz IZNYUGFNONDLTI-LLVKDONJSA-N 0 0 394.298 3.412 10 30 GGEERN C=CC[C@H](CO)NC(=O)c1ccc(COc2cccc(Br)c2)o1 ZINC000185710985 565218264 /nfs/dbraw/zinc/21/82/64/565218264.db2.gz KDAHOOYVEKKOIF-CYBMUJFWSA-N 0 0 380.238 3.288 10 30 GGEERN C=CC[C@@H](CO)NC(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000185741235 565218810 /nfs/dbraw/zinc/21/88/10/565218810.db2.gz JDUQNBSWJYWLGP-LBPRGKRZSA-N 0 0 379.254 3.090 10 30 GGEERN C=CC[C@@H](CO)NC(=O)CCCCc1ccc(I)cc1 ZINC000185814843 565222456 /nfs/dbraw/zinc/22/24/56/565222456.db2.gz MBDRIILXTKWMMP-HNNXBMFYSA-N 0 0 387.261 3.057 10 30 GGEERN C=CC[C@H](CO)NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C ZINC000185820652 565222977 /nfs/dbraw/zinc/22/29/77/565222977.db2.gz WSAOYKVKMCRALM-CQSZACIVSA-N 0 0 382.291 3.392 10 30 GGEERN CC[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1nccs1 ZINC000159924384 565223847 /nfs/dbraw/zinc/22/38/47/565223847.db2.gz XTOCFOHLKDHKCL-NSHDSACASA-N 0 0 375.397 3.463 10 30 GGEERN N#Cc1cccc(S(=O)(=O)CCN2CCO[C@H](c3ccc(Cl)s3)C2)c1 ZINC000372208120 565225612 /nfs/dbraw/zinc/22/56/12/565225612.db2.gz BEUHRTLJSSUTQV-HNNXBMFYSA-N 0 0 396.921 3.120 10 30 GGEERN C=CC[C@H](CO)NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1 ZINC000185880401 565226379 /nfs/dbraw/zinc/22/63/79/565226379.db2.gz IFNNLKBJBUCREQ-OAHLLOKOSA-N 0 0 376.503 3.146 10 30 GGEERN Cc1[nH]c2ccccc2c1C(=O)Cn1c(C)c(Br)cc(C#N)c1=O ZINC000185925553 565228524 /nfs/dbraw/zinc/22/85/24/565228524.db2.gz WKPKFAOUWASLPB-UHFFFAOYSA-N 0 0 384.233 3.464 10 30 GGEERN C=CC[C@H](CO)NC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000186092695 565239533 /nfs/dbraw/zinc/23/95/33/565239533.db2.gz DAFSQXAVPIXQQK-OAHLLOKOSA-N 0 0 386.323 3.194 10 30 GGEERN Cc1cc(NC(=O)c2cc(C)ccc2I)nn1CCC#N ZINC000271157485 565240275 /nfs/dbraw/zinc/24/02/75/565240275.db2.gz VFUIPLKZGIEIPX-UHFFFAOYSA-N 0 0 394.216 3.271 10 30 GGEERN COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000186125519 565242416 /nfs/dbraw/zinc/24/24/16/565242416.db2.gz ZJMJVJZSTJXQKA-NSHDSACASA-N 0 0 380.853 3.268 10 30 GGEERN N#Cc1cc(Br)ccc1C(=O)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000295152606 565248529 /nfs/dbraw/zinc/24/85/29/565248529.db2.gz NRGOBFJUEYHYHU-ZANVPECISA-N 0 0 391.187 3.096 10 30 GGEERN CCOC(=O)Cc1csc(S[C@H]2CCN(c3sccc3C#N)C2=O)n1 ZINC000372678616 565248824 /nfs/dbraw/zinc/24/88/24/565248824.db2.gz DXUUGFJGTLGSHX-LBPRGKRZSA-N 0 0 393.515 3.079 10 30 GGEERN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2ccc(Br)cc2C#N)C1 ZINC000295205583 565251952 /nfs/dbraw/zinc/25/19/52/565251952.db2.gz WPISYKNNBLYFJE-NSHDSACASA-N 0 0 379.254 3.125 10 30 GGEERN N#C[C@H]1CN(C(=O)Nc2ccc(Cl)cc2Br)CCN1C1CC1 ZINC000372780875 565254694 /nfs/dbraw/zinc/25/46/94/565254694.db2.gz AVVAFFUSFPHNDA-LBPRGKRZSA-N 0 0 383.677 3.307 10 30 GGEERN C#CC[C@@]1(C(=O)NCc2cnc(Cl)s2)CCCN1C(=O)OC(C)(C)C ZINC000295361021 565261387 /nfs/dbraw/zinc/26/13/87/565261387.db2.gz NSSHPUIVLUPOKF-KRWDZBQOSA-N 0 0 383.901 3.206 10 30 GGEERN N#Cc1ncccc1S(=O)(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000372953811 565262052 /nfs/dbraw/zinc/26/20/52/565262052.db2.gz KVBQBROQGOFCLW-HNNXBMFYSA-N 0 0 392.278 3.242 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000295511154 565270129 /nfs/dbraw/zinc/27/01/29/565270129.db2.gz HJRFPKALKFGPMD-NOLJZWGESA-N 0 0 390.281 3.001 10 30 GGEERN N#CC1(NC(=O)c2ccoc2Br)CCN(Cc2ccccc2)CC1 ZINC000373163160 565272928 /nfs/dbraw/zinc/27/29/28/565272928.db2.gz JRRZQDDGPKDCAQ-UHFFFAOYSA-N 0 0 388.265 3.330 10 30 GGEERN N#CC1(c2ccc(C(=O)N[C@H](CO)c3ccc(Br)cc3)cc2)CC1 ZINC000271955039 565273160 /nfs/dbraw/zinc/27/31/60/565273160.db2.gz DDECRFJDAQRRLR-QGZVFWFLSA-N 0 0 385.261 3.468 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000295618167 565277038 /nfs/dbraw/zinc/27/70/38/565277038.db2.gz VKIPPLSMEBDUPA-MELADBBJSA-N 0 0 390.281 3.001 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)c2ncc(Br)cc2Br)C1 ZINC000295643938 565278288 /nfs/dbraw/zinc/27/82/88/565278288.db2.gz YOWWSSBMOPFIRI-WPRPVWTQSA-N 0 0 387.075 3.419 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000373374081 565281203 /nfs/dbraw/zinc/28/12/03/565281203.db2.gz WFQZNMUKHHGHDZ-UHFFFAOYSA-N 0 0 382.221 3.462 10 30 GGEERN CC1(C#N)CCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000272404838 565286808 /nfs/dbraw/zinc/28/68/08/565286808.db2.gz BKKYOFOHIBZJPZ-HNNXBMFYSA-N 0 0 391.313 3.363 10 30 GGEERN N#CC[C@@H]1CC[C@H](NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000295880367 565291417 /nfs/dbraw/zinc/29/14/17/565291417.db2.gz ZRRQNTRWQZIQOA-IUCAKERBSA-N 0 0 378.237 3.262 10 30 GGEERN COc1cc(CNC(=O)N2CCC(C)(C#N)CC2)cc(Br)c1OC ZINC000272603023 565292234 /nfs/dbraw/zinc/29/22/34/565292234.db2.gz SNNRUFWSAOYCSJ-UHFFFAOYSA-N 0 0 396.285 3.302 10 30 GGEERN N#C[C@H](NC(=O)c1cccn1-c1cccc(I)c1)C1CC1 ZINC000161795451 565294440 /nfs/dbraw/zinc/29/44/40/565294440.db2.gz GBSKZNAATGLSOR-AWEZNQCLSA-N 0 0 391.212 3.114 10 30 GGEERN CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(Cl)c(Br)c2)CC1 ZINC000272708924 565295743 /nfs/dbraw/zinc/29/57/43/565295743.db2.gz RBEVQYYCFMXMMK-UHFFFAOYSA-N 0 0 384.661 3.193 10 30 GGEERN C=CCN(CCCCS(C)(=O)=O)Cc1cc(Br)ccc1F ZINC000162024157 565301430 /nfs/dbraw/zinc/30/14/30/565301430.db2.gz DEYPNHZGGNJUDT-UHFFFAOYSA-N 0 0 378.307 3.401 10 30 GGEERN N#CCC1(CNC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000373768153 565302028 /nfs/dbraw/zinc/30/20/28/565302028.db2.gz DBIXKXMZEODNFR-AWEZNQCLSA-N 0 0 391.313 3.268 10 30 GGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc2c(c1)CCO2 ZINC000187065757 565307048 /nfs/dbraw/zinc/30/70/48/565307048.db2.gz FFYVVYZQVXTVDL-UHFFFAOYSA-N 0 0 376.865 3.490 10 30 GGEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000162189046 565309046 /nfs/dbraw/zinc/30/90/46/565309046.db2.gz RWHIGQJODAJAMQ-BLLLJJGKSA-N 0 0 384.233 3.469 10 30 GGEERN CCS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC(C)(C#N)CC2)c1 ZINC000273153486 565310457 /nfs/dbraw/zinc/31/04/57/565310457.db2.gz XTXITIMGMZBARG-UHFFFAOYSA-N 0 0 399.310 3.009 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000296354068 565314003 /nfs/dbraw/zinc/31/40/03/565314003.db2.gz NHLAEPKQUBJOPK-CWRNSKLLSA-N 0 0 391.313 3.409 10 30 GGEERN C[C@@H]1C[C@]2(CCO1)CN(Cc1cc(C#N)ccc1Br)C[C@H](C)O2 ZINC000373972409 565314127 /nfs/dbraw/zinc/31/41/27/565314127.db2.gz NAZIEHGMVCVBIZ-QWQRMKEZSA-N 0 0 379.298 3.479 10 30 GGEERN C[C@@H]1CN(Cc2ccc(C#N)cc2Br)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374028611 565316538 /nfs/dbraw/zinc/31/65/38/565316538.db2.gz RENHPZIWNXFTNU-LBTNJELSSA-N 0 0 379.298 3.479 10 30 GGEERN Cc1cc(F)c(Br)cc1NC(=O)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000296459780 565317946 /nfs/dbraw/zinc/31/79/46/565317946.db2.gz INWOCWYLNQDWGO-QWRGUYRKSA-N 0 0 382.233 3.034 10 30 GGEERN CCS(=O)(=O)c1c(Cl)cccc1CNCCOc1ccc(C#N)cc1 ZINC000187267574 565320591 /nfs/dbraw/zinc/32/05/91/565320591.db2.gz HJHFAFQJWFATMB-UHFFFAOYSA-N 0 0 378.881 3.174 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000296526721 565321856 /nfs/dbraw/zinc/32/18/56/565321856.db2.gz ABPYUWWHTKOFBN-BPUTZDHNSA-N 0 0 391.313 3.409 10 30 GGEERN Cc1nc(C(F)(F)F)c(CN(C)S(=O)(=O)c2cccc(C#N)c2)s1 ZINC000273511324 565323940 /nfs/dbraw/zinc/32/39/40/565323940.db2.gz QCYUMXCXDKNVIW-UHFFFAOYSA-N 0 0 375.397 3.163 10 30 GGEERN N#CCc1ccc(OC[C@H](O)CSc2nnc(C(F)(F)F)s2)cc1 ZINC000187363570 565326819 /nfs/dbraw/zinc/32/68/19/565326819.db2.gz GBCQIUKMVSURNW-JTQLQIEISA-N 0 0 375.397 3.155 10 30 GGEERN COc1ccc(S(=O)(=O)N(C)C)cc1NCC#Cc1ccccc1Cl ZINC000163027718 565334817 /nfs/dbraw/zinc/33/48/17/565334817.db2.gz XTRLNZWSYKVGTI-UHFFFAOYSA-N 0 0 378.881 3.063 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)N[C@H]2COc3cc(F)c(Br)cc32)C1 ZINC000296799697 565337642 /nfs/dbraw/zinc/33/76/42/565337642.db2.gz IOFHUEDFGDMPLU-BHDSKKPTSA-N 0 0 382.233 3.403 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)C1 ZINC000296825107 565338691 /nfs/dbraw/zinc/33/86/91/565338691.db2.gz HDDKDZSKMZTMTB-VBNZEHGJSA-N 0 0 377.897 3.054 10 30 GGEERN Cc1c(Cl)cccc1S(=O)(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC000374458108 565340173 /nfs/dbraw/zinc/34/01/73/565340173.db2.gz IMSCQEIVBCDZQE-UHFFFAOYSA-N 0 0 375.881 3.290 10 30 GGEERN CS(=O)(=O)c1ccc(F)c(NC(=O)CSc2ccc(C#N)cc2Cl)c1 ZINC000163320243 565342276 /nfs/dbraw/zinc/34/22/76/565342276.db2.gz DGQHPLAAZULOCB-UHFFFAOYSA-N 0 0 398.868 3.485 10 30 GGEERN O=C(/C=C/c1cnc(N2CCOCC2)s1)c1cc(Br)ncc1F ZINC000273901361 565343283 /nfs/dbraw/zinc/34/32/83/565343283.db2.gz OETFBDNFOQCBPI-OWOJBTEDSA-N 0 0 398.257 3.172 10 30 GGEERN COc1ccc(C#N)cc1CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000163427389 565345376 /nfs/dbraw/zinc/34/53/76/565345376.db2.gz YFPMQLPPVUWFEZ-UHFFFAOYSA-N 0 0 395.278 3.296 10 30 GGEERN C=C[C@](C)(CCOC)C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000187688914 565350301 /nfs/dbraw/zinc/35/03/01/565350301.db2.gz KZMOSXFFGUIZGX-QGZVFWFLSA-N 0 0 393.285 3.079 10 30 GGEERN CC[C@H](NC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F)[C@@H](O)C(F)F ZINC000297032997 565352165 /nfs/dbraw/zinc/35/21/65/565352165.db2.gz WVOWCHYBHOHQDY-JMJZKYOTSA-N 0 0 376.272 3.272 10 30 GGEERN CN1CCN(c2ccc(Br)cc2C#N)C[C@@H]1c1nc(C2CC2)no1 ZINC000375258321 565377758 /nfs/dbraw/zinc/37/77/58/565377758.db2.gz NRQIXEHXWBMREX-OAHLLOKOSA-N 0 0 388.269 3.074 10 30 GGEERN Cc1cnc(CCN(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)s1 ZINC000167354961 565378438 /nfs/dbraw/zinc/37/84/38/565378438.db2.gz GCSMZCXMIVKPOY-UHFFFAOYSA-N 0 0 389.424 3.205 10 30 GGEERN CCN(C[C@H]1CCN(c2ncc(Br)cc2C#N)C1)CC(F)(F)F ZINC000297672214 565381655 /nfs/dbraw/zinc/38/16/55/565381655.db2.gz ZXEJLZBZEDWHPQ-LLVKDONJSA-N 0 0 391.235 3.426 10 30 GGEERN N#Cc1ccsc1C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000170716385 565389804 /nfs/dbraw/zinc/38/98/04/565389804.db2.gz GXJYMZWHUBAYRQ-INIZCTEOSA-N 0 0 375.881 3.076 10 30 GGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)CCc1ncc(C)s1 ZINC000297961688 565393852 /nfs/dbraw/zinc/39/38/52/565393852.db2.gz XHUIPRGRCLGJKN-UHFFFAOYSA-N 0 0 397.953 3.382 10 30 GGEERN C[C@](O)(CNC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)C(F)(F)F ZINC000275175939 565395663 /nfs/dbraw/zinc/39/56/63/565395663.db2.gz XVLYBTIQQYMWGP-PWSUYJOCSA-N 0 0 376.272 3.432 10 30 GGEERN Cc1ccc(Br)cc1S(=O)(=O)NCc1ccc(C#N)cc1F ZINC000170940669 565399163 /nfs/dbraw/zinc/39/91/63/565399163.db2.gz CLWWGMRSMHHMIO-UHFFFAOYSA-N 0 0 383.242 3.247 10 30 GGEERN N#Cc1ccc(CNC(=O)c2cc3c(c(Br)c2)OCO3)c(F)c1 ZINC000170931365 565399450 /nfs/dbraw/zinc/39/94/50/565399450.db2.gz AGSLSHQKMMWIQM-UHFFFAOYSA-N 0 0 377.169 3.119 10 30 GGEERN CN(C[C@@H](O)c1cccc(Br)c1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000298154884 565401419 /nfs/dbraw/zinc/40/14/19/565401419.db2.gz DBKPWQCSPHOIRW-VBNZEHGJSA-N 0 0 380.286 3.206 10 30 GGEERN CN(C[C@H](O)c1cccc(Br)c1)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000298154882 565401665 /nfs/dbraw/zinc/40/16/65/565401665.db2.gz DBKPWQCSPHOIRW-RCBQFDQVSA-N 0 0 380.286 3.206 10 30 GGEERN N#Cc1cc(S(=O)(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)ccc1Cl ZINC000171041407 565404099 /nfs/dbraw/zinc/40/40/99/565404099.db2.gz LDMXOIQKHGPGKZ-QZTJIDSGSA-N 0 0 376.865 3.410 10 30 GGEERN CN(C[C@H](O)c1ccccc1Br)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000298207809 565404368 /nfs/dbraw/zinc/40/43/68/565404368.db2.gz UJRHDTDGTHOMCJ-XEZPLFJOSA-N 0 0 380.286 3.206 10 30 GGEERN N#Cc1ccc(C2(C(=O)NCC(=O)Nc3ccc(Br)cc3)CC2)cc1 ZINC000188496336 565404414 /nfs/dbraw/zinc/40/44/14/565404414.db2.gz VJJIKGZLFASFJL-UHFFFAOYSA-N 0 0 398.260 3.107 10 30 GGEERN N#Cc1cc(S(=O)(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)ccc1Cl ZINC000171041402 565404441 /nfs/dbraw/zinc/40/44/41/565404441.db2.gz LDMXOIQKHGPGKZ-MSOLQXFVSA-N 0 0 376.865 3.410 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)NCCC(=O)Nc2ccc(Br)cc2)C1 ZINC000298462342 565415170 /nfs/dbraw/zinc/41/51/70/565415170.db2.gz OKCCCQIZAVYBLT-WFASDCNBSA-N 0 0 393.285 3.159 10 30 GGEERN Cc1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c2ccc(Br)cc2n1 ZINC000376215462 565427782 /nfs/dbraw/zinc/42/77/82/565427782.db2.gz IJIRXNSVNZRENN-OAHLLOKOSA-N 0 0 399.292 3.118 10 30 GGEERN Cc1nsc(NC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)c1C#N ZINC000298817834 565429929 /nfs/dbraw/zinc/42/99/29/565429929.db2.gz YHJAMXQKGPWMMV-UHFFFAOYSA-N 0 0 375.475 3.292 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCc3c(Br)cccc3C2)ccc1F ZINC000171424855 565430622 /nfs/dbraw/zinc/43/06/22/565430622.db2.gz POXLKHLGGLVJKS-UHFFFAOYSA-N 0 0 395.253 3.207 10 30 GGEERN C#CCN(C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br)C1CC1 ZINC000275918183 565431617 /nfs/dbraw/zinc/43/16/17/565431617.db2.gz BYMCCRAVRZRSNU-UHFFFAOYSA-N 0 0 389.171 3.031 10 30 GGEERN C=CCOc1c(Br)cc(CN2CCCNC(=O)[C@@H]2C)cc1OCC ZINC000189081616 565441930 /nfs/dbraw/zinc/44/19/30/565441930.db2.gz GSSXYDAWNYNFQZ-ZDUSSCGKSA-N 0 0 397.313 3.123 10 30 GGEERN N#CCCN(Cc1cccnc1)C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000171766657 565449130 /nfs/dbraw/zinc/44/91/30/565449130.db2.gz LYZPSOQBXFMTBL-UHFFFAOYSA-N 0 0 384.237 3.276 10 30 GGEERN N#CCCN(Cc1ccccn1)C(=O)c1n[nH]c2ccc(Br)cc21 ZINC000171805907 565451521 /nfs/dbraw/zinc/45/15/21/565451521.db2.gz HEVCCTXRWRXRCZ-UHFFFAOYSA-N 0 0 384.237 3.276 10 30 GGEERN C=C(CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)C(=O)OCC ZINC000172292785 565477102 /nfs/dbraw/zinc/47/71/02/565477102.db2.gz HEMZYPNNHQSIJJ-ZDUSSCGKSA-N 0 0 379.507 3.397 10 30 GGEERN C=C(CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)C(=O)OCC ZINC000172292789 565477347 /nfs/dbraw/zinc/47/73/47/565477347.db2.gz HEMZYPNNHQSIJJ-CYBMUJFWSA-N 0 0 379.507 3.397 10 30 GGEERN N#Cc1cc(S(N)(=O)=O)ccc1N[C@H]1CCc2c1cccc2Br ZINC000301392392 565483003 /nfs/dbraw/zinc/48/30/03/565483003.db2.gz BOROLAOPDJWCSC-INIZCTEOSA-N 0 0 392.278 3.068 10 30 GGEERN CS[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)c1cccc(Cl)c1 ZINC000301396539 565483522 /nfs/dbraw/zinc/48/35/22/565483522.db2.gz MXPJHAPVLUYHLD-MRXNPFEDSA-N 0 0 381.910 3.375 10 30 GGEERN CC(C)(CNc1ccc(S(N)(=O)=O)cc1C#N)c1ccc(F)cc1Cl ZINC000301402409 565483728 /nfs/dbraw/zinc/48/37/28/565483728.db2.gz RFYYDZTWBDZJCM-UHFFFAOYSA-N 0 0 381.860 3.388 10 30 GGEERN N#CCN(C(=O)c1cc(=O)[nH]c2ccc(Br)cc21)c1ccccc1 ZINC000172406139 565483999 /nfs/dbraw/zinc/48/39/99/565483999.db2.gz CXLCLGFYPBRACG-UHFFFAOYSA-N 0 0 382.217 3.461 10 30 GGEERN CCN1C(=O)N=NC1C1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000377566410 565486241 /nfs/dbraw/zinc/48/62/41/565486241.db2.gz WGXHRUBKBMXZDV-UHFFFAOYSA-N 0 0 390.285 3.017 10 30 GGEERN CCN1C(=O)N=NC1C1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000377584408 565487213 /nfs/dbraw/zinc/48/72/13/565487213.db2.gz RUONWCJNXLULMZ-UHFFFAOYSA-N 0 0 390.285 3.017 10 30 GGEERN C=C(C)CS(=O)(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000189772828 565487203 /nfs/dbraw/zinc/48/72/03/565487203.db2.gz QCEQWEKNHUWZIL-CQSZACIVSA-N 0 0 391.274 3.334 10 30 GGEERN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCc2cccc(Br)c2C1 ZINC000172484621 565488549 /nfs/dbraw/zinc/48/85/49/565488549.db2.gz LFTSTPMNDHZBIF-UHFFFAOYSA-N 0 0 398.260 3.153 10 30 GGEERN N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@H](CC(F)(F)F)C2)c1 ZINC000277455216 565498011 /nfs/dbraw/zinc/49/80/11/565498011.db2.gz HAYLWVPRYQCJIM-SECBINFHSA-N 0 0 397.216 3.284 10 30 GGEERN CC(=O)c1ccc(C#N)cc1NC[C@H](O)COc1ccccc1Br ZINC000302082799 565528885 /nfs/dbraw/zinc/52/88/85/565528885.db2.gz CWDWQPOXTQBKKW-AWEZNQCLSA-N 0 0 389.249 3.375 10 30 GGEERN CC1(C)CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC[C@H]1C(F)(F)F ZINC000190402670 565528981 /nfs/dbraw/zinc/52/89/81/565528981.db2.gz QBIAJGQKFJTADI-GFCCVEGCSA-N 0 0 382.354 3.436 10 30 GGEERN C#CCN(CC#C)C(=O)C(=O)Nc1ccccc1SC[C@H]1CC1(Cl)Cl ZINC000190413295 565529930 /nfs/dbraw/zinc/52/99/30/565529930.db2.gz CUJKSRVCNZFBEP-CYBMUJFWSA-N 0 0 395.311 3.006 10 30 GGEERN CC(=O)c1ccc(C#N)c(N2CCN(c3ccc(Br)cn3)CC2)c1 ZINC000302100282 565530405 /nfs/dbraw/zinc/53/04/05/565530405.db2.gz LEJATMGANCTVIP-UHFFFAOYSA-N 0 0 385.265 3.245 10 30 GGEERN COc1cc(Br)ccc1[C@H](C)NCC(=O)N[C@](C)(C#N)C(C)C ZINC000190419729 565531280 /nfs/dbraw/zinc/53/12/80/565531280.db2.gz RHCRZRVTNUNYCB-YVEFUNNKSA-N 0 0 382.302 3.163 10 30 GGEERN N#Cc1ccc(CNC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)c(F)c1 ZINC000190455667 565533336 /nfs/dbraw/zinc/53/33/36/565533336.db2.gz VSHIIEAISXXCSH-UHFFFAOYSA-N 0 0 384.169 3.398 10 30 GGEERN Cc1nc([C@H]2CCCCCN2S(=O)(=O)c2ccc(Cl)cc2C#N)no1 ZINC000378552428 565533963 /nfs/dbraw/zinc/53/39/63/565533963.db2.gz RZZNFVAAFUQQSG-CQSZACIVSA-N 0 0 380.857 3.209 10 30 GGEERN CC1(C#N)CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000378563372 565534302 /nfs/dbraw/zinc/53/43/02/565534302.db2.gz LUAFQWRHXAGQPU-ZDUSSCGKSA-N 0 0 380.275 3.499 10 30 GGEERN Cc1nc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(C#N)cc2Cl)no1 ZINC000378606739 565534614 /nfs/dbraw/zinc/53/46/14/565534614.db2.gz MSRIQGBUUJBOGL-AWEZNQCLSA-N 0 0 380.857 3.209 10 30 GGEERN Cc1cc2c(ncnc2N2CCN(c3snc(Cl)c3C#N)CC2)s1 ZINC000302540083 565544475 /nfs/dbraw/zinc/54/44/75/565544475.db2.gz NNPOHZQNTNTHPF-UHFFFAOYSA-N 0 0 376.898 3.308 10 30 GGEERN N#Cc1cccnc1N1CCN(c2ncc(Cl)cc2Br)CC1 ZINC000302576016 565546113 /nfs/dbraw/zinc/54/61/13/565546113.db2.gz RUCPKJIKDRNIHK-UHFFFAOYSA-N 0 0 378.661 3.091 10 30 GGEERN Cc1ccc(NCCC(=O)N(C)Cc2ccccc2Br)nc1C#N ZINC000302644694 565548672 /nfs/dbraw/zinc/54/86/72/565548672.db2.gz LZADRXOTRORRFI-UHFFFAOYSA-N 0 0 387.281 3.485 10 30 GGEERN CN(Cc1ccccc1Br)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000387832234 565548923 /nfs/dbraw/zinc/54/89/23/565548923.db2.gz ZJXSKCJUUPAOLT-UHFFFAOYSA-N 0 0 383.242 3.281 10 30 GGEERN Cc1ncc(S(=O)(=O)Nc2ccc(Br)cc2Cl)cc1C#N ZINC000386833089 565549486 /nfs/dbraw/zinc/54/94/86/565549486.db2.gz UBBKAKBTPVYWTP-UHFFFAOYSA-N 0 0 386.658 3.478 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(F)c(F)cc1I ZINC000278379479 565554467 /nfs/dbraw/zinc/55/44/67/565554467.db2.gz QMEMRPPFDHMARP-AMIZOPFISA-N 0 0 393.171 3.489 10 30 GGEERN C#CCNC(=O)c1ccc(N[C@@H](C)c2ccc(Br)cc2OC)nc1 ZINC000302751899 565554656 /nfs/dbraw/zinc/55/46/56/565554656.db2.gz HGZNOIUKBFYGRB-LBPRGKRZSA-N 0 0 388.265 3.389 10 30 GGEERN N#Cc1cccnc1N1CCN(c2ncc(Br)cc2Cl)CC1 ZINC000302759961 565555392 /nfs/dbraw/zinc/55/53/92/565555392.db2.gz WZSJDFWOLJGJBV-UHFFFAOYSA-N 0 0 378.661 3.091 10 30 GGEERN C[C@@H]1CN(C)c2ccccc2N(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000173506492 565561902 /nfs/dbraw/zinc/56/19/02/565561902.db2.gz XPLAZTOSUPSFRJ-CYBMUJFWSA-N 0 0 375.881 3.493 10 30 GGEERN C[C@H]1CN(C)c2ccccc2N(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000173506508 565561942 /nfs/dbraw/zinc/56/19/42/565561942.db2.gz XPLAZTOSUPSFRJ-ZDUSSCGKSA-N 0 0 375.881 3.493 10 30 GGEERN N#Cc1cccnc1N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000302886293 565563454 /nfs/dbraw/zinc/56/34/54/565563454.db2.gz AKCCEMORHHGDSA-UHFFFAOYSA-N 0 0 375.259 3.151 10 30 GGEERN COCCOc1ccc(C(=O)/C=C/c2c(Br)cnn2C)cc1OC ZINC000278590299 565567296 /nfs/dbraw/zinc/56/72/96/565567296.db2.gz TUYUWBSPXHZIDX-AATRIKPKSA-N 0 0 395.253 3.113 10 30 GGEERN C=CCNC(=O)CN[C@H](C)c1ccc(Br)cc1Br ZINC000393829079 565569403 /nfs/dbraw/zinc/56/94/03/565569403.db2.gz JUCNAYUFIQQDRJ-SECBINFHSA-N 0 0 376.092 3.164 10 30 GGEERN Cc1c(Cl)cc(S(=O)(=O)NCc2cc(C#N)ccc2F)cc1[N+](=O)[O-] ZINC000173742732 565581215 /nfs/dbraw/zinc/58/12/15/565581215.db2.gz VWVBVILYTDPVMK-UHFFFAOYSA-N 0 0 383.788 3.046 10 30 GGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O ZINC000173796437 565587058 /nfs/dbraw/zinc/58/70/58/565587058.db2.gz IMDXBYBASTVQQB-LLVKDONJSA-N 0 0 378.837 3.021 10 30 GGEERN CC1(C#N)CCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000278962608 565587779 /nfs/dbraw/zinc/58/77/79/565587779.db2.gz GUXZONFDNWLTPG-OAHLLOKOSA-N 0 0 391.313 3.363 10 30 GGEERN N#Cc1ccc(Br)c(CN2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000408046499 565591723 /nfs/dbraw/zinc/59/17/23/565591723.db2.gz WXAAAMLKGBSOEG-CGTJXYLNSA-N 0 0 379.298 3.073 10 30 GGEERN C[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)c1ccc(Br)cc1 ZINC000316908955 565592614 /nfs/dbraw/zinc/59/26/14/565592614.db2.gz TYCDMKKRDCRAKS-SNVBAGLBSA-N 0 0 383.242 3.499 10 30 GGEERN N#C[C@H]1CCC[C@H]1NS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000408061275 565593099 /nfs/dbraw/zinc/59/30/99/565593099.db2.gz VTINVBAVYFGMGX-RDDDGLTNSA-N 0 0 381.654 3.212 10 30 GGEERN COc1cc(Br)ccc1[C@H](C)NS(=O)(=O)CCCCC#N ZINC000191285189 565594356 /nfs/dbraw/zinc/59/43/56/565594356.db2.gz AKTIXWKBXWAWOY-NSHDSACASA-N 0 0 375.288 3.132 10 30 GGEERN CC1(C)CCN(c2c(Br)cc(Cl)cc2C#N)CCS1(=O)=O ZINC000408103911 565595513 /nfs/dbraw/zinc/59/55/13/565595513.db2.gz CIAHNVSMRPKMFA-UHFFFAOYSA-N 0 0 391.718 3.378 10 30 GGEERN Cc1nc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(Cl)c(C#N)c2)no1 ZINC000408153910 565596615 /nfs/dbraw/zinc/59/66/15/565596615.db2.gz MBCFAMORQDTETH-HNNXBMFYSA-N 0 0 380.857 3.209 10 30 GGEERN Cn1cnnc1[C@@H]1CCCN(c2c(Br)cc(Cl)cc2C#N)C1 ZINC000408379402 565605991 /nfs/dbraw/zinc/60/59/91/565605991.db2.gz KZRARZVDWDXISD-SNVBAGLBSA-N 0 0 380.677 3.487 10 30 GGEERN N#Cc1cccc(C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)c1Br ZINC000408451466 565610457 /nfs/dbraw/zinc/61/04/57/565610457.db2.gz JGTPEWPRLQFWEP-WBMJQRKESA-N 0 0 381.295 3.105 10 30 GGEERN N#Cc1cccc(C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)c1Br ZINC000408451464 565610708 /nfs/dbraw/zinc/61/07/08/565610708.db2.gz JGTPEWPRLQFWEP-LRDDRELGSA-N 0 0 381.295 3.105 10 30 GGEERN CC(C)c1nnc2n1CCN(C(=O)c1cccc(C#N)c1Br)[C@H]2C ZINC000408457524 565611067 /nfs/dbraw/zinc/61/10/67/565611067.db2.gz PILBUUBZWAAORM-NSHDSACASA-N 0 0 388.269 3.253 10 30 GGEERN C[C@@H](C(=O)N[C@H](C#N)c1ccc(Br)cc1)N(C)CC(F)(F)F ZINC000279536566 565618049 /nfs/dbraw/zinc/61/80/49/565618049.db2.gz AEJJYKNOCATSBH-JOYOIKCWSA-N 0 0 378.192 3.013 10 30 GGEERN C[C@H](C#N)CN(C)S(=O)(=O)N1CCc2cc(Cl)cc(Cl)c2[C@H]1C ZINC000409514961 565621282 /nfs/dbraw/zinc/62/12/82/565621282.db2.gz SBKMRJJKTHCKBH-GHMZBOCLSA-N 0 0 376.309 3.249 10 30 GGEERN C[C@@H](C#N)CN(C)S(=O)(=O)N1CCc2cc(Cl)cc(Cl)c2[C@@H]1C ZINC000409514964 565621762 /nfs/dbraw/zinc/62/17/62/565621762.db2.gz SBKMRJJKTHCKBH-QWRGUYRKSA-N 0 0 376.309 3.249 10 30 GGEERN CN(Cc1cc(C#N)ccc1Br)[C@H]1CCCN(c2cccnn2)C1 ZINC000191784348 565632040 /nfs/dbraw/zinc/63/20/40/565632040.db2.gz CIHGCPZPFPTGBF-INIZCTEOSA-N 0 0 386.297 3.212 10 30 GGEERN N#Cc1ccc(Br)c(CN2CCOC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000191808733 565634022 /nfs/dbraw/zinc/63/40/22/565634022.db2.gz SLHCZKNRLRQEAW-NVXWUHKLSA-N 0 0 391.265 3.238 10 30 GGEERN N#Cc1ccc(Br)c(CN2CCOC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000191808746 565634700 /nfs/dbraw/zinc/63/47/00/565634700.db2.gz SLHCZKNRLRQEAW-WBVHZDCISA-N 0 0 391.265 3.238 10 30 GGEERN C[C@H](C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1)n1cnc(C#N)n1 ZINC000409850294 565643774 /nfs/dbraw/zinc/64/37/74/565643774.db2.gz YHIWEUZZMCVETF-GFCCVEGCSA-N 0 0 375.885 3.147 10 30 GGEERN O=C(CCOCC(F)(F)C(F)(F)F)n1ccc(=NCC(F)(F)F)cc1 ZINC000191930760 565643993 /nfs/dbraw/zinc/64/39/93/565643993.db2.gz ANJNUUGNTMTYER-UHFFFAOYSA-N 0 0 380.235 3.196 10 30 GGEERN Cc1cccc(NC(=O)C(=O)N[C@H](C)c2ccccc2Br)c1C#N ZINC000174576250 565644413 /nfs/dbraw/zinc/64/44/13/565644413.db2.gz BYQIFOSHNVJHIN-GFCCVEGCSA-N 0 0 386.249 3.445 10 30 GGEERN CN1C(=O)C[C@H](NC(=O)N[C@@H]2CCCSC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328854420 565645097 /nfs/dbraw/zinc/64/50/97/565645097.db2.gz SVSYIFOIPVIZOJ-WPGHFRTFSA-N 0 0 385.892 3.150 10 30 GGEERN C[C@@H](NC(=O)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000329169315 565656818 /nfs/dbraw/zinc/65/68/18/565656818.db2.gz JLSCAJVRNQAFAY-JRPNMDOOSA-N 0 0 391.320 3.130 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(I)c(C)c1 ZINC000410027945 565659074 /nfs/dbraw/zinc/65/90/74/565659074.db2.gz IJTSPTSJUUGHJU-UKRRQHHQSA-N 0 0 385.245 3.197 10 30 GGEERN O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000329265032 565660695 /nfs/dbraw/zinc/66/06/95/565660695.db2.gz GXULDFBSPKGYKT-MRVWCRGKSA-N 0 0 382.448 3.268 10 30 GGEERN O=C(N[C@@H]1CCOc2ccc(Br)cc21)N1CC2(C1)CCCOC2 ZINC000329245141 565660748 /nfs/dbraw/zinc/66/07/48/565660748.db2.gz QJHPLKNDTKSFDW-CQSZACIVSA-N 0 0 381.270 3.299 10 30 GGEERN O=C(N[C@H]1CCOc2ccc(Br)cc21)N1CCc2cncnc2C1 ZINC000329264847 565660759 /nfs/dbraw/zinc/66/07/59/565660759.db2.gz DZBCKVMSRWEERG-AWEZNQCLSA-N 0 0 389.253 3.035 10 30 GGEERN O=C(CCN1CCCS1(=O)=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000329302660 565662014 /nfs/dbraw/zinc/66/20/14/565662014.db2.gz WYMLOANSOLPJLM-CYBMUJFWSA-N 0 0 377.293 3.363 10 30 GGEERN C=CC[C@@H](CO)NC(=O)c1cc(Oc2cccc(Br)c2)ccn1 ZINC000410074430 565662017 /nfs/dbraw/zinc/66/20/17/565662017.db2.gz LTGQOHRGYSZMJZ-ZDUSSCGKSA-N 0 0 377.238 3.303 10 30 GGEERN Cc1csc(C2(NC(=O)CS(=O)(=O)NC3CCC(C)CC3)CCC2)n1 ZINC000329281787 565662095 /nfs/dbraw/zinc/66/20/95/565662095.db2.gz FBBKPDSUGMFMGG-UHFFFAOYSA-N 0 0 385.555 3.285 10 30 GGEERN CCc1nc(CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cs1 ZINC000410137900 565666248 /nfs/dbraw/zinc/66/62/48/565666248.db2.gz BZKPVLWWGNZLRY-UHFFFAOYSA-N 0 0 375.397 3.074 10 30 GGEERN CC[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1nccs1 ZINC000410136297 565666272 /nfs/dbraw/zinc/66/62/72/565666272.db2.gz IPAOCSDKAYSPBS-LBPRGKRZSA-N 0 0 375.397 3.463 10 30 GGEERN COc1cc(OC)c(NC(=O)N2CC3(C2)CCCOC3)cc1Br ZINC000329407544 565666390 /nfs/dbraw/zinc/66/63/90/565666390.db2.gz CMUXZGJOCWMSDF-UHFFFAOYSA-N 0 0 385.258 3.124 10 30 GGEERN CC[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1nccs1 ZINC000410136295 565666554 /nfs/dbraw/zinc/66/65/54/565666554.db2.gz IPAOCSDKAYSPBS-GFCCVEGCSA-N 0 0 375.397 3.463 10 30 GGEERN O=C(N[C@@H]1CCOc2ccc(Br)cc21)N1CCOCC2(CC2)C1 ZINC000329457953 565666732 /nfs/dbraw/zinc/66/67/32/565666732.db2.gz OAAGESATASNGNP-CQSZACIVSA-N 0 0 381.270 3.299 10 30 GGEERN O=C(N[C@H]1CCOc2ccc(Br)cc21)N1CCOCC2(CC2)C1 ZINC000329457952 565667180 /nfs/dbraw/zinc/66/71/80/565667180.db2.gz OAAGESATASNGNP-AWEZNQCLSA-N 0 0 381.270 3.299 10 30 GGEERN C[C@H](c1ncc(Br)cn1)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000329488188 565668981 /nfs/dbraw/zinc/66/89/81/565668981.db2.gz RTINEPWZNIUHLR-SOZUMNATSA-N 0 0 398.264 3.295 10 30 GGEERN C=CCN1CC[C@H](N(C)C(=O)c2cc(F)c(Br)cc2Cl)C1=O ZINC000410180380 565669093 /nfs/dbraw/zinc/66/90/93/565669093.db2.gz XZPROPKBDMSMCW-ZDUSSCGKSA-N 0 0 389.652 3.101 10 30 GGEERN CN1CC[C@H](NC(=O)N2c3ccc(Br)cc3[C@@H]3CCCC[C@@H]32)C1=O ZINC000329526996 565670093 /nfs/dbraw/zinc/67/00/93/565670093.db2.gz HRECPSLPOLAZIH-QEJZJMRPSA-N 0 0 392.297 3.440 10 30 GGEERN CSC1(CNC(=O)[C@H]2CSCN2C(=O)c2ccccc2)CCOCC1 ZINC000329635781 565674433 /nfs/dbraw/zinc/67/44/33/565674433.db2.gz XUVLSTQSDROUIS-OAHLLOKOSA-N 0 0 380.535 3.070 10 30 GGEERN N#Cc1ccc(OCC(=O)N[C@H]2CCOc3c(Br)cccc32)cc1 ZINC000410297341 565675687 /nfs/dbraw/zinc/67/56/87/565675687.db2.gz AAYBFZLJVOCMKA-INIZCTEOSA-N 0 0 387.233 3.340 10 30 GGEERN CC(C)(CNC(=O)c1cnc(-c2ccsc2)s1)N1CCS(=O)CC1 ZINC000329696885 565676535 /nfs/dbraw/zinc/67/65/35/565676535.db2.gz DRWGUCRNSPORLE-UHFFFAOYSA-N 0 0 383.564 3.019 10 30 GGEERN C=C(C)CN(CC)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280521214 565677377 /nfs/dbraw/zinc/67/73/77/565677377.db2.gz CIZUMTQSQGWOEZ-UHFFFAOYSA-N 0 0 384.230 3.029 10 30 GGEERN C=CCN1CC[C@H](N2CCC[C@@H]2c2ccc(I)cc2)C1=O ZINC000410388775 565681977 /nfs/dbraw/zinc/68/19/77/565681977.db2.gz RZYCPFMMQUFTJG-CVEARBPZSA-N 0 0 396.272 3.215 10 30 GGEERN COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000280607705 565684012 /nfs/dbraw/zinc/68/40/12/565684012.db2.gz QBLNUYOUEQUCBY-YDHLFZDLSA-N 0 0 379.254 3.109 10 30 GGEERN COC(=O)[C@H]1CC[C@H](C(=O)N[C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000280606311 565684019 /nfs/dbraw/zinc/68/40/19/565684019.db2.gz QBLNUYOUEQUCBY-UMVBOHGHSA-N 0 0 379.254 3.109 10 30 GGEERN N#CCN1CCC[C@@H](CNC(=O)c2cc(F)c(Br)cc2Cl)C1 ZINC000280670465 565688015 /nfs/dbraw/zinc/68/80/15/565688015.db2.gz HOGOZQYTKUEBKR-JTQLQIEISA-N 0 0 388.668 3.207 10 30 GGEERN CC(C)N(C(=O)COc1ccc(C#N)c(Br)c1)C1CCOCC1 ZINC000410514806 565687908 /nfs/dbraw/zinc/68/79/08/565687908.db2.gz ZTDXEXWQFIQTOP-UHFFFAOYSA-N 0 0 381.270 3.116 10 30 GGEERN O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)[C@H]1SCCc2sccc21 ZINC000329991611 565688813 /nfs/dbraw/zinc/68/88/13/565688813.db2.gz XDEXNVAVHUJRQG-MKBNYLNASA-N 0 0 378.498 3.442 10 30 GGEERN COc1cc(NC(=O)N2CCO[C@H](C3CC3)C2)cc(OC)c1Br ZINC000330137917 565694972 /nfs/dbraw/zinc/69/49/72/565694972.db2.gz ODBXJVYMYITSOB-AWEZNQCLSA-N 0 0 385.258 3.123 10 30 GGEERN C[C@@H](C(=O)N1CCC(C)(C)c2ccc(Br)cc21)n1cnc(C#N)n1 ZINC000410827566 565696780 /nfs/dbraw/zinc/69/67/80/565696780.db2.gz URZOMTTYJIKDHM-NSHDSACASA-N 0 0 388.269 3.188 10 30 GGEERN Cc1nc(C(=O)N(C)CCOCc2ccc(C#N)cc2)c(Br)s1 ZINC000410868965 565699590 /nfs/dbraw/zinc/69/95/90/565699590.db2.gz AQYVPSBABOQCKA-UHFFFAOYSA-N 0 0 394.294 3.375 10 30 GGEERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000410967690 565702175 /nfs/dbraw/zinc/70/21/75/565702175.db2.gz DDXRFPLRSWRUFI-IINYFYTJSA-N 0 0 396.310 3.207 10 30 GGEERN CC(C)C[C@H](NC(=O)N1CCC(N(C)S(C)(=O)=O)CC1)c1cccs1 ZINC000330450214 565706777 /nfs/dbraw/zinc/70/67/77/565706777.db2.gz TVKTXZKYCSSLDE-HNNXBMFYSA-N 0 0 387.571 3.105 10 30 GGEERN CCN(CC)C(=O)C1CCN(C(=O)Nc2nc(C(F)(F)F)cs2)CC1 ZINC000330460311 565707876 /nfs/dbraw/zinc/70/78/76/565707876.db2.gz VDYMBJMZFLLTOZ-UHFFFAOYSA-N 0 0 378.420 3.288 10 30 GGEERN CCS(=O)(=O)NC1CCN(C(=O)N[C@H](CC(C)C)c2cccs2)CC1 ZINC000330484547 565709174 /nfs/dbraw/zinc/70/91/74/565709174.db2.gz YANGEHHKTZFHTQ-OAHLLOKOSA-N 0 0 387.571 3.153 10 30 GGEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000281084942 565712191 /nfs/dbraw/zinc/71/21/91/565712191.db2.gz LNINAQICCSRJFU-UHFFFAOYSA-N 0 0 384.230 3.029 10 30 GGEERN C[C@H](C(=O)N1CCCc2cc(Cl)cc(Br)c21)n1cnc(C#N)n1 ZINC000411111868 565713156 /nfs/dbraw/zinc/71/31/56/565713156.db2.gz SCOSGHIHOQKNCK-SECBINFHSA-N 0 0 394.660 3.106 10 30 GGEERN COc1ccc(CCNC(=O)N2CCC(O)(C(F)(F)F)CC2)c(Cl)c1 ZINC000330703262 565719441 /nfs/dbraw/zinc/71/94/41/565719441.db2.gz KYICBTUXZLGZMV-UHFFFAOYSA-N 0 0 380.794 3.194 10 30 GGEERN C=CCSCCNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411248899 565720341 /nfs/dbraw/zinc/72/03/41/565720341.db2.gz VDAHJOCHGCTFMM-LBPRGKRZSA-N 0 0 380.819 3.095 10 30 GGEERN COCCOc1ccc(Br)cc1NC(=O)N1CCOC(C)(C)C1 ZINC000330722657 565720351 /nfs/dbraw/zinc/72/03/51/565720351.db2.gz CMLYWBKCDWZDEP-UHFFFAOYSA-N 0 0 387.274 3.131 10 30 GGEERN N#Cc1ccc(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])c(F)c1 ZINC000175771826 565722157 /nfs/dbraw/zinc/72/21/57/565722157.db2.gz XDJIABUMZCZTQX-UHFFFAOYSA-N 0 0 378.157 3.298 10 30 GGEERN CS(=O)(=O)N1CCC(NC(=O)Nc2cccc(C(F)F)c2Cl)CC1 ZINC000330818427 565723395 /nfs/dbraw/zinc/72/33/95/565723395.db2.gz CLMHWFBNONHDDI-UHFFFAOYSA-N 0 0 381.832 3.028 10 30 GGEERN CC(=O)N1CCN(C(=O)[C@@H](Sc2cccc(Cl)c2C#N)C(C)C)CC1 ZINC000330819396 565724154 /nfs/dbraw/zinc/72/41/54/565724154.db2.gz RZEZAXYZRMDTHX-KRWDZBQOSA-N 0 0 379.913 3.019 10 30 GGEERN CC(C)(CNC(=O)Nc1cccc(C(F)F)c1Cl)N1CCS(=O)CC1 ZINC000330864372 565726415 /nfs/dbraw/zinc/72/64/15/565726415.db2.gz UHMFGACYCRUAOJ-UHFFFAOYSA-N 0 0 393.887 3.446 10 30 GGEERN C[C@@H]1CN(c2c(C#N)cnc3c(Br)cccc32)C[C@@]2(CCOC2)O1 ZINC000281379385 565727260 /nfs/dbraw/zinc/72/72/60/565727260.db2.gz ACYABSIDRJUMBW-KZULUSFZSA-N 0 0 388.265 3.253 10 30 GGEERN CC(C)Sc1c(Cl)cccc1NC(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000330889735 565727704 /nfs/dbraw/zinc/72/77/04/565727704.db2.gz OMOKPUONHAZJBM-NSHDSACASA-N 0 0 391.946 3.139 10 30 GGEERN COC(=O)c1cc(NC(=O)N2CC[C@@H](C)[C@@H](OC)C2)ccc1Br ZINC000330979432 565733444 /nfs/dbraw/zinc/73/34/44/565733444.db2.gz MFUHSWUVCUKIGW-YGRLFVJLSA-N 0 0 385.258 3.138 10 30 GGEERN CC(C)(C)[C@@H]1CCN(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C[C@@H]1O ZINC000331004116 565734754 /nfs/dbraw/zinc/73/47/54/565734754.db2.gz YJEMYUYYLYKXTH-OCCSQVGLSA-N 0 0 388.917 3.018 10 30 GGEERN Cc1cc(Br)cc(C(=O)NC2CCC(C(=O)NC(N)=O)CC2)c1 ZINC000331011255 565734905 /nfs/dbraw/zinc/73/49/05/565734905.db2.gz VOZYKAHTCDUJAA-UHFFFAOYSA-N 0 0 382.258 3.230 10 30 GGEERN C[C@H]1CCN(c2c(C#N)cnc3c(Br)cccc32)CC[S@]1=O ZINC000281533078 565735465 /nfs/dbraw/zinc/73/54/65/565735465.db2.gz ALUJDJZMJKJJCP-KPWVOAKYSA-N 0 0 378.295 3.216 10 30 GGEERN CN(CC(C)(C)C#N)C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411555211 565735461 /nfs/dbraw/zinc/73/54/61/565735461.db2.gz GSAJXECLWKFGAX-LBPRGKRZSA-N 0 0 375.778 3.068 10 30 GGEERN CCOc1c(Cl)cc(NC(=O)N2CCS(=O)(=O)C(C)(C)C2)cc1Cl ZINC000331015234 565735860 /nfs/dbraw/zinc/73/58/60/565735860.db2.gz XQTMSJKLHDFDCC-UHFFFAOYSA-N 0 0 395.308 3.447 10 30 GGEERN CN(CC(C)(C)C#N)C(=O)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411555210 565735939 /nfs/dbraw/zinc/73/59/39/565735939.db2.gz GSAJXECLWKFGAX-GFCCVEGCSA-N 0 0 375.778 3.068 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1N1CCC(Cn2ccnn2)CC1 ZINC000281551099 565737106 /nfs/dbraw/zinc/73/71/06/565737106.db2.gz CBYPPDAQSFPLLY-UHFFFAOYSA-N 0 0 397.280 3.377 10 30 GGEERN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1cc(F)c(Br)cc1Cl ZINC000331073414 565737896 /nfs/dbraw/zinc/73/78/96/565737896.db2.gz TYIFFCGCJTZHMB-JMCQJSRRSA-N 0 0 377.641 3.461 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000331090195 565738092 /nfs/dbraw/zinc/73/80/92/565738092.db2.gz UYPWHMSJWQLDKV-TXEJJXNPSA-N 0 0 381.270 3.213 10 30 GGEERN C[C@H](c1ccccc1Cl)N1CCN(C(=O)NCC[C@H](C)[S@](C)=O)CC1 ZINC000331107040 565739144 /nfs/dbraw/zinc/73/91/44/565739144.db2.gz GXXZIUUTBXXUIY-AYNSBQOLSA-N 0 0 385.961 3.090 10 30 GGEERN COC(=O)c1c(Br)ccc(NC(=O)N2CC[C@H](C)[C@H](OC)C2)c1C ZINC000331131562 565740700 /nfs/dbraw/zinc/74/07/00/565740700.db2.gz TZQNVNYWURCUJJ-IINYFYTJSA-N 0 0 399.285 3.446 10 30 GGEERN CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000331134053 565741178 /nfs/dbraw/zinc/74/11/78/565741178.db2.gz UKZJZBRXUCLHNN-OLZOCXBDSA-N 0 0 377.794 3.314 10 30 GGEERN COC(=O)c1c(Br)ccc(NC(=O)N2CC[C@H](C)[C@@H](OC)C2)c1C ZINC000331131561 565741308 /nfs/dbraw/zinc/74/13/08/565741308.db2.gz TZQNVNYWURCUJJ-HZMBPMFUSA-N 0 0 399.285 3.446 10 30 GGEERN Cc1cc(C(=O)NC2CCC(C(=O)NC(N)=O)CC2)c(Br)s1 ZINC000331142217 565742792 /nfs/dbraw/zinc/74/27/92/565742792.db2.gz KYPVJVVFSWEHKQ-UHFFFAOYSA-N 0 0 388.287 3.291 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000281703343 565743002 /nfs/dbraw/zinc/74/30/02/565743002.db2.gz TVDWNJHAYZTBCY-LLVKDONJSA-N 0 0 385.265 3.292 10 30 GGEERN Cc1csc(C(=O)NC2CCC(C(=O)NC(N)=O)CC2)c1Br ZINC000331164803 565743196 /nfs/dbraw/zinc/74/31/96/565743196.db2.gz SBFJMIRJTPYRKE-UHFFFAOYSA-N 0 0 388.287 3.291 10 30 GGEERN COC(=O)c1cccc(NC(=O)N2CC[C@@H](C)[C@H](OC)C2)c1Br ZINC000331166309 565743465 /nfs/dbraw/zinc/74/34/65/565743465.db2.gz SZLQVVVPAWLXGF-ZWNOBZJWSA-N 0 0 385.258 3.138 10 30 GGEERN C[C@@H]1CN(c2c(C#N)cnc3c(Br)cccc32)CC[S@@](=O)C1 ZINC000281742208 565744440 /nfs/dbraw/zinc/74/44/40/565744440.db2.gz WZUDRWWKQZSAEU-RKFFSXRUSA-N 0 0 378.295 3.074 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1N1CC[C@H](N2CCCC2=O)C1 ZINC000281722237 565744872 /nfs/dbraw/zinc/74/48/72/565744872.db2.gz VMHUKDQDMSQYGX-ZDUSSCGKSA-N 0 0 385.265 3.070 10 30 GGEERN C[C@H]1CN(c2c(C#N)cnc3c(Br)cccc32)CC[S@](=O)C1 ZINC000281742212 565744987 /nfs/dbraw/zinc/74/49/87/565744987.db2.gz WZUDRWWKQZSAEU-SAHAZLINSA-N 0 0 378.295 3.074 10 30 GGEERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Nc1ccc(OC)c(Br)c1 ZINC000331204526 565745851 /nfs/dbraw/zinc/74/58/51/565745851.db2.gz YNAYCCQOFDELTH-AWEZNQCLSA-N 0 0 398.301 3.336 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1N1CCCN(C(=O)C2CC2)CC1 ZINC000281752707 565746089 /nfs/dbraw/zinc/74/60/89/565746089.db2.gz XYDLSHLDCKWBON-UHFFFAOYSA-N 0 0 399.292 3.318 10 30 GGEERN Cc1c(Br)cc(/C([O-])=N/CC[N@H+](C)C2CCCCC2)c(=O)n1C ZINC000331202249 565746196 /nfs/dbraw/zinc/74/61/96/565746196.db2.gz BKBBOPVDQLUPQP-UHFFFAOYSA-N 0 0 384.318 3.025 10 30 GGEERN N#Cc1cc(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)ccn1 ZINC000193347152 565747302 /nfs/dbraw/zinc/74/73/02/565747302.db2.gz VBDSXQLQYGAHCB-UHFFFAOYSA-N 0 0 396.248 3.407 10 30 GGEERN CC(=O)N1CCC(NC(=O)N(C)Cc2ccc(Br)cc2C)CC1 ZINC000331227619 565747643 /nfs/dbraw/zinc/74/76/43/565747643.db2.gz YNHDYOCNOAWOFF-UHFFFAOYSA-N 0 0 382.302 3.114 10 30 GGEERN CCC(=O)N1CC[C@@H](NC(=O)N(C)Cc2ccc(Br)cc2C)C1 ZINC000331224985 565748288 /nfs/dbraw/zinc/74/82/88/565748288.db2.gz XFDMHFGOHIVTFC-OAHLLOKOSA-N 0 0 382.302 3.114 10 30 GGEERN C=C[C@@H]1OCC[C@H]1NC(=O)c1ncc(Br)cc1Br ZINC000331339479 565755682 /nfs/dbraw/zinc/75/56/82/565755682.db2.gz RUPBNULDQFCPJL-ZJUUUORDSA-N 0 0 376.048 3.255 10 30 GGEERN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@H](C)CC(C)(C)O ZINC000331361478 565756504 /nfs/dbraw/zinc/75/65/04/565756504.db2.gz ZCLKXHXOUBWHGZ-SECBINFHSA-N 0 0 392.315 3.015 10 30 GGEERN Cc1ccc(Br)c(NC(=O)C(=O)NCC2CCC(C#N)CC2)c1 ZINC000281969996 565757786 /nfs/dbraw/zinc/75/77/86/565757786.db2.gz LVXAQPCRYZNGLD-UHFFFAOYSA-N 0 0 378.270 3.142 10 30 GGEERN Cc1cc(Br)ccc1NC(=O)C(=O)NCC1CCC(C#N)CC1 ZINC000281982244 565758726 /nfs/dbraw/zinc/75/87/26/565758726.db2.gz MMKJKHQAUYUZOU-UHFFFAOYSA-N 0 0 378.270 3.142 10 30 GGEERN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCC1CCC(C#N)CC1 ZINC000282009334 565760803 /nfs/dbraw/zinc/76/08/03/565760803.db2.gz NVYQLVVWEABIES-UHFFFAOYSA-N 0 0 384.263 3.387 10 30 GGEERN CCc1cc(Br)ccc1NC(=O)C(=O)NCC1CCC(C#N)CC1 ZINC000282101174 565765060 /nfs/dbraw/zinc/76/50/60/565765060.db2.gz SJUWZNYQQLPGOU-UHFFFAOYSA-N 0 0 392.297 3.396 10 30 GGEERN N#CC1CCC(CNC(=O)C(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000282156793 565766931 /nfs/dbraw/zinc/76/69/31/565766931.db2.gz WGLTXGCOWLPHQZ-UHFFFAOYSA-N 0 0 398.688 3.487 10 30 GGEERN CCOC(=O)CN(C(=O)c1ccnc(C#N)c1)c1cc(Cl)cc(Cl)c1 ZINC000193682604 565769486 /nfs/dbraw/zinc/76/94/86/565769486.db2.gz RVACJDKMHHDYRV-UHFFFAOYSA-N 0 0 378.215 3.470 10 30 GGEERN C=CCn1c([C@@H]2COCCO2)nnc1N(C)Cc1c(Cl)cccc1Cl ZINC000282232868 565770179 /nfs/dbraw/zinc/77/01/79/565770179.db2.gz JMXNWNQUAOKBFM-HNNXBMFYSA-N 0 0 383.279 3.495 10 30 GGEERN CC1(C#N)CCN(S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000282295363 565773349 /nfs/dbraw/zinc/77/33/49/565773349.db2.gz LKHPXGZMZOFQQR-UHFFFAOYSA-N 0 0 377.691 3.417 10 30 GGEERN COc1ccc(CCCN(C)S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000193816979 565777070 /nfs/dbraw/zinc/77/70/70/565777070.db2.gz VDISKWRYFJUXNE-UHFFFAOYSA-N 0 0 378.881 3.474 10 30 GGEERN N#Cc1cc(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)ccn1 ZINC000193814645 565777099 /nfs/dbraw/zinc/77/70/99/565777099.db2.gz XEQAASJZPKWYQB-UHFFFAOYSA-N 0 0 386.249 3.399 10 30 GGEERN CN([C@](C)(C#N)C1CC1)S(=O)(=O)c1c(Cl)cccc1Br ZINC000282406911 565777986 /nfs/dbraw/zinc/77/79/86/565777986.db2.gz ZQHDZBLSZFQMHY-CYBMUJFWSA-N 0 0 377.691 3.415 10 30 GGEERN N#CC1CCC(CNC(=O)NCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000282412275 565778233 /nfs/dbraw/zinc/77/82/33/565778233.db2.gz XVMVWPLSWFRIHK-UHFFFAOYSA-N 0 0 393.285 3.017 10 30 GGEERN Cn1ccnc1C[C@@H]1CCCN(C(=O)c2cccc(C#N)c2Br)C1 ZINC000331718631 565778789 /nfs/dbraw/zinc/77/87/89/565778789.db2.gz HWYGOEFKMMNDRV-ZDUSSCGKSA-N 0 0 387.281 3.149 10 30 GGEERN COc1ccc(S(=O)(=O)NCC2CCC(C#N)CC2)cc1Br ZINC000282517698 565783509 /nfs/dbraw/zinc/78/35/09/565783509.db2.gz LPEVFBVLSPWMHS-UHFFFAOYSA-N 0 0 387.299 3.066 10 30 GGEERN COc1ccc(S(=O)(=O)NCC2CCC(C#N)CC2)c(Br)c1 ZINC000282541248 565784743 /nfs/dbraw/zinc/78/47/43/565784743.db2.gz NAZRLOCIOVUZKL-UHFFFAOYSA-N 0 0 387.299 3.066 10 30 GGEERN Cn1cc(C#N)cc1C(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000176573254 565786335 /nfs/dbraw/zinc/78/63/35/565786335.db2.gz GWRQIVBVRBHBHL-UHFFFAOYSA-N 0 0 384.237 3.156 10 30 GGEERN N#C[C@@H](NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)C1CCCCC1 ZINC000176626683 565789942 /nfs/dbraw/zinc/78/99/42/565789942.db2.gz DITIDPXVMFJDDM-MRXNPFEDSA-N 0 0 388.265 3.493 10 30 GGEERN C=CCNC(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000176666386 565793210 /nfs/dbraw/zinc/79/32/10/565793210.db2.gz 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/nfs/dbraw/zinc/82/63/01/565826301.db2.gz KVXCWGNCJULARS-UHFFFAOYSA-N 0 0 388.265 3.308 10 30 GGEERN Cc1csc([C@H]2CN(CC(=O)Nc3sc(C)c(C)c3C#N)CCO2)n1 ZINC000177090717 565827245 /nfs/dbraw/zinc/82/72/45/565827245.db2.gz MBCHGCBBBOZYML-CQSZACIVSA-N 0 0 376.507 3.014 10 30 GGEERN C=CCn1c(SCc2nnc(CC)n2C)nc2cc(Cl)ccc2c1=O ZINC000194646460 565828790 /nfs/dbraw/zinc/82/87/90/565828790.db2.gz FRCOIPBQAMMNDB-UHFFFAOYSA-N 0 0 375.885 3.219 10 30 GGEERN C=CCn1c(SCc2nnc(CC)n2C)nc2sc(C)c(C)c2c1=O ZINC000194662563 565829255 /nfs/dbraw/zinc/82/92/55/565829255.db2.gz PAUMPCJCUGBEMR-UHFFFAOYSA-N 0 0 375.523 3.244 10 30 GGEERN CC(=O)N(c1nnc(SCc2c(C#N)cccc2[N+](=O)[O-])s1)C1CC1 ZINC000412993306 565829771 /nfs/dbraw/zinc/82/97/71/565829771.db2.gz VTDBGGOQOQTBLC-UHFFFAOYSA-N 0 0 375.435 3.126 10 30 GGEERN CCn1c(COc2ccc(Br)cc2)nnc1N(C)C[C@H](C)C#N ZINC000283871736 565833981 /nfs/dbraw/zinc/83/39/81/565833981.db2.gz HWNCAHSBYLPUPF-GFCCVEGCSA-N 0 0 378.274 3.235 10 30 GGEERN CS(=O)(=O)Cc1cccc(CNC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000194859951 565843409 /nfs/dbraw/zinc/84/34/09/565843409.db2.gz DSCOEWVLJVOEFT-UHFFFAOYSA-N 0 0 377.853 3.078 10 30 GGEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000177453546 565851525 /nfs/dbraw/zinc/85/15/25/565851525.db2.gz LMEKSZMKDOZQFE-UHFFFAOYSA-N 0 0 398.264 3.351 10 30 GGEERN CCN(CCOc1ccc(Br)cc1)C(=O)c1cc(C#N)cn1C ZINC000177462849 565852590 /nfs/dbraw/zinc/85/25/90/565852590.db2.gz MADIFAKPASHHSZ-UHFFFAOYSA-N 0 0 376.254 3.200 10 30 GGEERN N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)s2)cc1 ZINC000195163959 565863257 /nfs/dbraw/zinc/86/32/57/565863257.db2.gz RVEVUQDWTOEKQV-GFCCVEGCSA-N 0 0 377.878 3.427 10 30 GGEERN CC[C@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1nccs1 ZINC000177662139 565865478 /nfs/dbraw/zinc/86/54/78/565865478.db2.gz CXDUGKZLBFYWFW-LBPRGKRZSA-N 0 0 375.397 3.463 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCc3cc(Br)cc(F)c32)ccc1F ZINC000178146049 565900777 /nfs/dbraw/zinc/90/07/77/565900777.db2.gz 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/nfs/dbraw/zinc/94/64/30/565946430.db2.gz ZXVCRQMOHZZAHB-HNNXBMFYSA-N 0 0 392.301 3.227 10 30 GGEERN C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](CF)C1 ZINC000414545335 565946462 /nfs/dbraw/zinc/94/64/62/565946462.db2.gz WMFJACDQNYZYBI-CYBMUJFWSA-N 0 0 395.276 3.458 10 30 GGEERN N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000286409564 565958397 /nfs/dbraw/zinc/95/83/97/565958397.db2.gz FWPJQGYSQHBIEW-VIFPVBQESA-N 0 0 397.216 3.284 10 30 GGEERN N#CCCCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000179181349 565963367 /nfs/dbraw/zinc/96/33/67/565963367.db2.gz OYESQPFYVNKZTE-UHFFFAOYSA-N 0 0 392.175 3.216 10 30 GGEERN Cc1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c2cc(Br)ccc2n1 ZINC000363080240 565989565 /nfs/dbraw/zinc/98/95/65/565989565.db2.gz XTTULSDAFAIZPV-HNNXBMFYSA-N 0 0 399.292 3.118 10 30 GGEERN N#C[C@H]1CN(C(=O)c2csc(-c3ccc(Cl)s3)n2)CCN1C1CC1 ZINC000363080056 565989817 /nfs/dbraw/zinc/98/98/17/565989817.db2.gz RQJJBRCVWOLLDS-NSHDSACASA-N 0 0 378.910 3.337 10 30 GGEERN N#Cc1ccc(N2CCC(C(=O)N3CCC=C(Br)C3)CC2)c(F)c1 ZINC000287051593 565994698 /nfs/dbraw/zinc/99/46/98/565994698.db2.gz LRPJBQXNZHCCMJ-UHFFFAOYSA-N 0 0 392.272 3.425 10 30 GGEERN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H](c2ccccc2)O1 ZINC000246153912 566018624 /nfs/dbraw/zinc/01/86/24/566018624.db2.gz LDSWTPDXUMQRAQ-GUYCJALGSA-N 0 0 376.865 3.362 10 30 GGEERN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCO[C@@H](c2nccs2)C1 ZINC000246197440 566021026 /nfs/dbraw/zinc/02/10/26/566021026.db2.gz XFEHWIYSKQXMNN-IAQYHMDHSA-N 0 0 376.869 3.069 10 30 GGEERN Cn1c(CC#N)nnc1Sc1ccc(Br)c(C(F)(F)F)n1 ZINC000287588507 566028041 /nfs/dbraw/zinc/02/80/41/566028041.db2.gz FAJQMOZTBODMQH-UHFFFAOYSA-N 0 0 378.177 3.209 10 30 GGEERN CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1cccc(C#N)c1Br ZINC000416074851 566033668 /nfs/dbraw/zinc/03/36/68/566033668.db2.gz DLLGTRWMEZUOIR-MFKMUULPSA-N 0 0 396.310 3.207 10 30 GGEERN N#Cc1cccc([C@H]2CN(S(=O)(=O)c3c(F)cccc3Cl)CCO2)c1 ZINC000364109944 566034686 /nfs/dbraw/zinc/03/46/86/566034686.db2.gz 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C#C[C@@H](NC(=O)[C@H](CCSC)NC(=O)c1ccccc1Cl)C(C)(C)C ZINC000288113860 566057503 /nfs/dbraw/zinc/05/75/03/566057503.db2.gz HNBMPJAHEYJFGG-JKSUJKDBSA-N 0 0 380.941 3.356 10 30 GGEERN N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000416377954 566059467 /nfs/dbraw/zinc/05/94/67/566059467.db2.gz YEUHRXCNLQFVEK-SNVBAGLBSA-N 0 0 397.216 3.284 10 30 GGEERN CCc1cc(C#N)c(NC(=O)c2cnn3cc(Br)cnc23)s1 ZINC000180460866 566063668 /nfs/dbraw/zinc/06/36/68/566063668.db2.gz LGYLYDHVSPRCEB-UHFFFAOYSA-N 0 0 376.239 3.240 10 30 GGEERN Cc1cc(S(=O)(=O)N(C[C@@H](C)C#N)C2CC2)c(F)cc1Br ZINC000416438168 566068019 /nfs/dbraw/zinc/06/80/19/566068019.db2.gz AGBYNMKZAJTEFX-VIFPVBQESA-N 0 0 375.263 3.209 10 30 GGEERN C#C[C@@H](NC(=O)C(=O)Nc1cccc2cc(Br)cnc21)C(C)(C)C ZINC000288372099 566070479 /nfs/dbraw/zinc/07/04/79/566070479.db2.gz KERWSRHNRRQDHH-CQSZACIVSA-N 0 0 388.265 3.100 10 30 GGEERN N#Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](CC(F)(F)F)C1 ZINC000416473212 566072767 /nfs/dbraw/zinc/07/27/67/566072767.db2.gz VMBBBOAESVDWQU-SECBINFHSA-N 0 0 397.216 3.284 10 30 GGEERN N#Cc1cc(F)c(S(=O)(=O)NCCC2CC(F)(F)C2)cc1Br ZINC000416500417 566077029 /nfs/dbraw/zinc/07/70/29/566077029.db2.gz GZWYNPIGHNURGR-UHFFFAOYSA-N 0 0 397.216 3.174 10 30 GGEERN CC1(C#N)CCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000365020275 566079576 /nfs/dbraw/zinc/07/95/76/566079576.db2.gz PCZRVXSARJTKLX-CQSZACIVSA-N 0 0 391.313 3.363 10 30 GGEERN C#CCN(C(=O)c1ccc(C#N)nc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000365261364 566092534 /nfs/dbraw/zinc/09/25/34/566092534.db2.gz WSVYEPNPTDQDMI-QGZVFWFLSA-N 0 0 396.244 3.315 10 30 GGEERN N#CC1(CS(=O)(=O)NCc2cc(Cl)cc(Br)c2)CCC1 ZINC000416597592 566092964 /nfs/dbraw/zinc/09/29/64/566092964.db2.gz OGZRQNPHFVFFFC-UHFFFAOYSA-N 0 0 377.691 3.216 10 30 GGEERN C[C@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@@H](c2ccccc2)O1 ZINC000249371652 566100732 /nfs/dbraw/zinc/10/07/32/566100732.db2.gz WXFUIAACLMKSIZ-GUYCJALGSA-N 0 0 376.865 3.362 10 30 GGEERN COc1ccc(C=NNC(N)=S)cc1OCc1ccc(Br)cc1 ZINC000252630961 566116075 /nfs/dbraw/zinc/11/60/75/566116075.db2.gz VGFMLXAWNDKSNZ-UHFFFAOYSA-N 0 0 394.294 3.204 10 30 GGEERN N#Cc1ccc(CN2CCCC[C@H]2CN2CCOCC2)c(Br)c1 ZINC000181125022 566117071 /nfs/dbraw/zinc/11/70/71/566117071.db2.gz SIXWALLSGNFNCI-KRWDZBQOSA-N 0 0 378.314 3.007 10 30 GGEERN O=C1[C@@H](N[C@H](c2cccc(F)c2F)C(F)(F)F)CCN1CC(F)(F)F ZINC000181219503 566124897 /nfs/dbraw/zinc/12/48/97/566124897.db2.gz FRQMEJFARAOFFB-GXSJLCMTSA-N 0 0 376.247 3.321 10 30 GGEERN C[C@@H](Sc1nnc(C(F)F)n1C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000181271358 566128337 /nfs/dbraw/zinc/12/83/37/566128337.db2.gz GNNVXNYEMFSLRB-SSDOTTSWSA-N 0 0 383.449 3.294 10 30 GGEERN C=CCCC[C@@H](C)NC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000181373108 566137135 /nfs/dbraw/zinc/13/71/35/566137135.db2.gz YHQVKJWHTONKTD-CQSZACIVSA-N 0 0 381.318 3.421 10 30 GGEERN N#Cc1ccc(C(=O)N2CCC[C@@H](Nc3cccc(Br)c3)C2)cn1 ZINC000366174690 566137736 /nfs/dbraw/zinc/13/77/36/566137736.db2.gz ZWTIECSMMSGNQE-QGZVFWFLSA-N 0 0 385.265 3.432 10 30 GGEERN COc1cc(Br)ccc1CCC[S@@](=O)Cc1ncc(C#N)cn1 ZINC000417222694 566138502 /nfs/dbraw/zinc/13/85/02/566138502.db2.gz FURMBHBZXKOOGT-HSZRJFAPSA-N 0 0 394.294 3.001 10 30 GGEERN CCn1ccnc1CN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000181437502 566140759 /nfs/dbraw/zinc/14/07/59/566140759.db2.gz ZDPQKWFSHNTEBN-KRWDZBQOSA-N 0 0 388.313 3.048 10 30 GGEERN CS(=O)(=O)CC[C@H]1CCCCN1Cc1cc(C#N)ccc1Br ZINC000366420242 566151860 /nfs/dbraw/zinc/15/18/60/566151860.db2.gz CNHIREKROVJGFN-OAHLLOKOSA-N 0 0 385.327 3.110 10 30 GGEERN CS(=O)(=O)N(CCOc1ccccc1C#N)c1cccc(Br)c1 ZINC000181628019 566153651 /nfs/dbraw/zinc/15/36/51/566153651.db2.gz VLQCJWGXCUVMPT-UHFFFAOYSA-N 0 0 395.278 3.166 10 30 GGEERN C=CCSCCNC(=O)[C@@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000181690399 566158638 /nfs/dbraw/zinc/15/86/38/566158638.db2.gz GCCUOHNBTUAJBC-SECBINFHSA-N 0 0 387.288 3.013 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)Nc1ncc(F)cc1I ZINC000181902952 566171803 /nfs/dbraw/zinc/17/18/03/566171803.db2.gz KHTUXSUTWPSMLV-UHFFFAOYSA-N 0 0 381.148 3.258 10 30 GGEERN COc1cc(Br)ccc1CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000182074851 566181118 /nfs/dbraw/zinc/18/11/18/566181118.db2.gz JVENDBCOTMPALG-UHFFFAOYSA-N 0 0 387.281 3.047 10 30 GGEERN C[C@@]1(c2ccccc2)NC(=O)N(Cc2ccc(C#N)cc2Br)C1=O ZINC000182186158 566187628 /nfs/dbraw/zinc/18/76/28/566187628.db2.gz RFSMLWMMBRUQCK-SFHVURJKSA-N 0 0 384.233 3.288 10 30 GGEERN C[C@]1(c2ccccc2)NC(=O)N(Cc2ccc(C#N)cc2Br)C1=O ZINC000182186178 566188300 /nfs/dbraw/zinc/18/83/00/566188300.db2.gz RFSMLWMMBRUQCK-GOSISDBHSA-N 0 0 384.233 3.288 10 30 GGEERN C=CCSCCNC(=O)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000290863043 566193514 /nfs/dbraw/zinc/19/35/14/566193514.db2.gz BNCDQUQJCZHYCC-NSHDSACASA-N 0 0 378.420 3.330 10 30 GGEERN N#Cc1c(Br)cccc1NCc1cnc(N2CCOCC2)c(F)c1 ZINC000290908397 566196224 /nfs/dbraw/zinc/19/62/24/566196224.db2.gz GLQQWLFGSOJVBA-UHFFFAOYSA-N 0 0 391.244 3.304 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000291041802 566201793 /nfs/dbraw/zinc/20/17/93/566201793.db2.gz 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ZINC000264907916 566226814 /nfs/dbraw/zinc/22/68/14/566226814.db2.gz QJNSWRRDULUCDU-MRXNPFEDSA-N 0 0 392.297 3.025 10 30 GGEERN C[C@H](OC[C@@H]1CCCCO1)C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000264879211 566226996 /nfs/dbraw/zinc/22/69/96/566226996.db2.gz JRZSDNGQSPFVMO-VBNZEHGJSA-N 0 0 381.270 3.104 10 30 GGEERN C[C@H](OC[C@H]1CCCCO1)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000264879209 566227059 /nfs/dbraw/zinc/22/70/59/566227059.db2.gz JRZSDNGQSPFVMO-MAZHCROVSA-N 0 0 381.270 3.104 10 30 GGEERN C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000264916902 566227386 /nfs/dbraw/zinc/22/73/86/566227386.db2.gz STSRERVTCXYZPS-MFKMUULPSA-N 0 0 382.258 3.043 10 30 GGEERN C#CCCN1C(=O)[C@H](CC(=O)NC)S/C1=N/c1ccc(Cl)c(Cl)c1 ZINC000264932967 566227919 /nfs/dbraw/zinc/22/79/19/566227919.db2.gz QHSLNLWPOGNPHC-GJEKEPIOSA-N 0 0 384.288 3.084 10 30 GGEERN CC(C)c1noc(CCC(=O)N[C@H](C#N)c2ccc(Br)cc2)n1 ZINC000264930991 566227932 /nfs/dbraw/zinc/22/79/32/566227932.db2.gz YABFYIRUPUHLNM-CYBMUJFWSA-N 0 0 377.242 3.269 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)cc1 ZINC000182873416 566228006 /nfs/dbraw/zinc/22/80/06/566228006.db2.gz XPNVVJXAKPOVJX-AWEZNQCLSA-N 0 0 376.306 3.418 10 30 GGEERN N#Cc1cccc(S(=O)(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)c1 ZINC000182876006 566228108 /nfs/dbraw/zinc/22/81/08/566228108.db2.gz XSUPOZPXQSNFRE-AWEZNQCLSA-N 0 0 376.306 3.418 10 30 GGEERN COC(=O)[C@@H](NCc1nc(C)c(Br)s1)c1cccc(C#N)c1 ZINC000419200542 566230787 /nfs/dbraw/zinc/23/07/87/566230787.db2.gz AYQDVRDTWORSAM-ZDUSSCGKSA-N 0 0 380.267 3.090 10 30 GGEERN N#Cc1csc(CSCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)n1 ZINC000419408902 566234395 /nfs/dbraw/zinc/23/43/95/566234395.db2.gz MLQXIXRKGQQLDQ-UHFFFAOYSA-N 0 0 376.419 3.154 10 30 GGEERN Cc1nn(C)c(C)c1[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183054782 566236455 /nfs/dbraw/zinc/23/64/55/566236455.db2.gz UCEIMACBHOQFSH-OAHLLOKOSA-N 0 0 378.885 3.088 10 30 GGEERN COc1ccc(OC)c([C@@H](C)NC(=O)CSCc2nc(C#N)cs2)c1 ZINC000419635388 566240214 /nfs/dbraw/zinc/24/02/14/566240214.db2.gz CHZUDTGYDXTXMF-LLVKDONJSA-N 0 0 377.491 3.143 10 30 GGEERN N#CC1(c2ccc(C(=O)NCC(=O)Nc3ccc(Br)cc3)cc2)CC1 ZINC000183186090 566240417 /nfs/dbraw/zinc/24/04/17/566240417.db2.gz WIHKYXWGZWJYRZ-UHFFFAOYSA-N 0 0 398.260 3.373 10 30 GGEERN N#Cc1csc(CSCC(=O)NCCc2ccc(OC(F)F)cc2)n1 ZINC000419655447 566240715 /nfs/dbraw/zinc/24/07/15/566240715.db2.gz WHWDJDKGWKONMV-UHFFFAOYSA-N 0 0 383.445 3.208 10 30 GGEERN CN(CCCOc1ccc(F)cc1)C(=O)CSCc1nc(C#N)cs1 ZINC000419646692 566240826 /nfs/dbraw/zinc/24/08/26/566240826.db2.gz NOSSOYVWXCDDHM-UHFFFAOYSA-N 0 0 379.482 3.315 10 30 GGEERN CN(C[C@H]1CC=CCC1)C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419686563 566241641 /nfs/dbraw/zinc/24/16/41/566241641.db2.gz ZIJOVCDEWQJUDI-LBPRGKRZSA-N 0 0 376.254 3.074 10 30 GGEERN CN(C[C@@H]1CC=CCC1)C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419686562 566241763 /nfs/dbraw/zinc/24/17/63/566241763.db2.gz ZIJOVCDEWQJUDI-GFCCVEGCSA-N 0 0 376.254 3.074 10 30 GGEERN N#Cc1ccc(NC(=O)NCc2cccnc2-n2ccnc2)cc1Br ZINC000368574555 566241998 /nfs/dbraw/zinc/24/19/98/566241998.db2.gz KLFYAVNBGLWKLD-UHFFFAOYSA-N 0 0 397.236 3.223 10 30 GGEERN CC[C@H]1CN(C(=O)Nc2ccc(C#N)c(Br)c2)C[C@]2(CCOC2)O1 ZINC000368577458 566242250 /nfs/dbraw/zinc/24/22/50/566242250.db2.gz WJZDVJZJMZNDEZ-YOEHRIQHSA-N 0 0 394.269 3.123 10 30 GGEERN N#Cc1cccc(NC(=O)C(=O)NC2(C3CCC3)CCC2)c1Br ZINC000419722364 566242801 /nfs/dbraw/zinc/24/28/01/566242801.db2.gz BHSBTFXMWLDRIJ-UHFFFAOYSA-N 0 0 376.254 3.098 10 30 GGEERN Cc1csc(NC2CCN(S(=O)(=O)c3ccc(C#N)cc3Cl)CC2)n1 ZINC000368708653 566244256 /nfs/dbraw/zinc/24/42/56/566244256.db2.gz VWUUOOROIKJXGL-UHFFFAOYSA-N 0 0 396.925 3.242 10 30 GGEERN C=CC[C@@H](CO)NC(=O)Nc1c(-c2ccc(Br)cc2)c(C)nn1C ZINC000183413176 566246228 /nfs/dbraw/zinc/24/62/28/566246228.db2.gz ZVLHNRPIDJQZRL-AWEZNQCLSA-N 0 0 393.285 3.217 10 30 GGEERN CCN(C[C@@H](C)C#N)C(=O)c1ncc(Br)cc1Br ZINC000183410758 566246283 /nfs/dbraw/zinc/24/62/83/566246283.db2.gz OMINGFPAAZPRKO-QMMMGPOBSA-N 0 0 375.064 3.228 10 30 GGEERN C[C@@H](C(=O)N(c1ccccc1)c1ncccc1Br)n1cnc(C#N)n1 ZINC000462124111 566251315 /nfs/dbraw/zinc/25/13/15/566251315.db2.gz YUKPPTYWFRGLNX-LBPRGKRZSA-N 0 0 397.236 3.233 10 30 GGEERN C=C(C)CN(CC)C(=O)C[S@](=O)Cc1c(F)ccc(Br)c1F ZINC000575105801 566251743 /nfs/dbraw/zinc/25/17/43/566251743.db2.gz LBKCJGIHQIGTFZ-JOCHJYFZSA-N 0 0 394.281 3.401 10 30 GGEERN C=CCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1cnn(C)c1 ZINC000508945675 566252171 /nfs/dbraw/zinc/25/21/71/566252171.db2.gz NCJLOBNPCXUFDT-UHFFFAOYSA-N 0 0 387.285 3.264 10 30 GGEERN C=C(C)CN(CC)C(=O)C[S@@](=O)Cc1c(F)ccc(Br)c1F ZINC000575105802 566252098 /nfs/dbraw/zinc/25/20/98/566252098.db2.gz LBKCJGIHQIGTFZ-QFIPXVFZSA-N 0 0 394.281 3.401 10 30 GGEERN N#Cc1cscc1C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000555844749 566253938 /nfs/dbraw/zinc/25/39/38/566253938.db2.gz MISNMTLYTGAWFT-UHFFFAOYSA-N 0 0 377.828 3.010 10 30 GGEERN N#Cc1cscc1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000555842633 566253995 /nfs/dbraw/zinc/25/39/95/566253995.db2.gz KXVDTBWANOHETF-CYBMUJFWSA-N 0 0 376.279 3.391 10 30 GGEERN C=CCN(C(=O)c1cc(Cl)cc2ccc(C)nc21)[C@H]1CCS(=O)(=O)C1 ZINC000648280706 566255134 /nfs/dbraw/zinc/25/51/34/566255134.db2.gz NYTMXUBQHCJIAK-HNNXBMFYSA-N 0 0 378.881 3.012 10 30 GGEERN CCSc1ccc(CC(=O)N(CCC#N)CCOC)c(Br)c1 ZINC000599329986 566255137 /nfs/dbraw/zinc/25/51/37/566255137.db2.gz KRHLRKHVIXUMQS-UHFFFAOYSA-N 0 0 385.327 3.492 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCN(C3CC3)c3cc(Cl)ccc32)s1 ZINC000555849450 566255316 /nfs/dbraw/zinc/25/53/16/566255316.db2.gz JCEXBNIVQHUFII-UHFFFAOYSA-N 0 0 379.894 3.451 10 30 GGEERN C=CCN(C(=O)c1cc(Cl)cc2ccc(C)nc21)[C@@H]1CCS(=O)(=O)C1 ZINC000648280707 566255941 /nfs/dbraw/zinc/25/59/41/566255941.db2.gz NYTMXUBQHCJIAK-OAHLLOKOSA-N 0 0 378.881 3.012 10 30 GGEERN C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000599370241 566256459 /nfs/dbraw/zinc/25/64/59/566256459.db2.gz HXLGZVONMAMQRJ-FZMZJTMJSA-N 0 0 391.269 3.204 10 30 GGEERN N#CCC1(CS(=O)(=O)NCC/C=C\c2ccc(Br)cc2)CC1 ZINC000599372884 566256846 /nfs/dbraw/zinc/25/68/46/566256846.db2.gz OKTZVFKQNDKYHZ-IWQZZHSRSA-N 0 0 383.311 3.466 10 30 GGEERN COc1ccc([C@H]2NC(=O)N([C@H]3CC[C@@H](CC#N)C3)C2=O)cc1Br ZINC000419988275 566257208 /nfs/dbraw/zinc/25/72/08/566257208.db2.gz HSDYMNUZBLTSDV-ITDIGPHOSA-N 0 0 392.253 3.133 10 30 GGEERN N#C[C@H](c1ccc(F)cc1)N1CCN(Cc2ccncc2Br)CC1 ZINC000599366231 566257066 /nfs/dbraw/zinc/25/70/66/566257066.db2.gz NFGSDWYRRBBKGD-GOSISDBHSA-N 0 0 389.272 3.366 10 30 GGEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)cc(C(F)(F)F)c2)C1 ZINC000599378848 566258640 /nfs/dbraw/zinc/25/86/40/566258640.db2.gz QONUTNKHRMIEAE-LLVKDONJSA-N 0 0 377.384 3.079 10 30 GGEERN N#Cc1ccccc1N1CCCN(C(=O)c2ncsc2Br)CC1 ZINC000575208119 566259952 /nfs/dbraw/zinc/25/99/52/566259952.db2.gz WIZDBZNZJGKRGY-UHFFFAOYSA-N 0 0 391.294 3.130 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)S3)cc1C(F)(F)F ZINC000599403697 566261655 /nfs/dbraw/zinc/26/16/55/566261655.db2.gz JJRSBEFUMGHIGD-NEPJUHHUSA-N 0 0 376.425 3.236 10 30 GGEERN COc1cc(Br)ccc1[C@@H]1CCCN1S(=O)(=O)CC1(C#N)CC1 ZINC000599409863 566262253 /nfs/dbraw/zinc/26/22/53/566262253.db2.gz WNPADUCQSPSIFB-AWEZNQCLSA-N 0 0 399.310 3.228 10 30 GGEERN CC(C)(CC#N)CN1C(=O)[C@H]2Cc3c(Br)cccc3CN2C1=O ZINC000420082719 566265001 /nfs/dbraw/zinc/26/50/01/566265001.db2.gz VODWGEWFHIKWHL-CQSZACIVSA-N 0 0 376.254 3.078 10 30 GGEERN N#CC1(CS(=O)(=O)NCc2cc(F)c(Br)cc2F)CCCC1 ZINC000599445406 566265529 /nfs/dbraw/zinc/26/55/29/566265529.db2.gz RSWYTOZYKINWRE-UHFFFAOYSA-N 0 0 393.253 3.231 10 30 GGEERN CCOCCN([C@H]1CCc2ccccc21)S(=O)(=O)c1ccsc1C#N ZINC000599459116 566266191 /nfs/dbraw/zinc/26/61/91/566266191.db2.gz DDIZLHYPSBAGRJ-INIZCTEOSA-N 0 0 376.503 3.334 10 30 GGEERN CCOCCN([C@@H]1CCc2ccccc21)S(=O)(=O)c1ccsc1C#N ZINC000599459117 566266644 /nfs/dbraw/zinc/26/66/44/566266644.db2.gz DDIZLHYPSBAGRJ-MRXNPFEDSA-N 0 0 376.503 3.334 10 30 GGEERN N#CC1(C[C@@H](O)CN2CC[C@H]2c2ccc(Br)cc2)CCOCC1 ZINC000599480781 566268625 /nfs/dbraw/zinc/26/86/25/566268625.db2.gz FUYWEMNYWBWCES-SJORKVTESA-N 0 0 379.298 3.267 10 30 GGEERN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1S(=O)(=O)c1ccc(C#N)o1 ZINC000599493852 566269459 /nfs/dbraw/zinc/26/94/59/566269459.db2.gz VNWTZFDQJWPUEL-YPMHNXCESA-N 0 0 395.278 3.480 10 30 GGEERN COc1cc(Cl)ccc1S(=O)(=O)N1CCc2c(CC#N)cccc2C1 ZINC000599513615 566272073 /nfs/dbraw/zinc/27/20/73/566272073.db2.gz SHYIZUQBPUPXHM-UHFFFAOYSA-N 0 0 376.865 3.162 10 30 GGEERN COC[C@@H](C)N([C@@H]1CCc2ccccc21)S(=O)(=O)c1ccsc1C#N ZINC000599516456 566272108 /nfs/dbraw/zinc/27/21/08/566272108.db2.gz VFSZHRBUCMTLEH-CZUORRHYSA-N 0 0 376.503 3.333 10 30 GGEERN COC[C@@H](C)N([C@H]1CCc2ccccc21)S(=O)(=O)c1ccsc1C#N ZINC000599516455 566272121 /nfs/dbraw/zinc/27/21/21/566272121.db2.gz VFSZHRBUCMTLEH-CJNGLKHVSA-N 0 0 376.503 3.333 10 30 GGEERN COC[C@H](C)N([C@@H]1CCc2ccccc21)S(=O)(=O)c1ccsc1C#N ZINC000599516457 566272359 /nfs/dbraw/zinc/27/23/59/566272359.db2.gz VFSZHRBUCMTLEH-XJKSGUPXSA-N 0 0 376.503 3.333 10 30 GGEERN N#Cc1cc(F)c(S(=O)(=O)N2CCCC3(CC3)CC2)cc1Br ZINC000599508558 566272431 /nfs/dbraw/zinc/27/24/31/566272431.db2.gz RUQLOSXAMVMRIZ-UHFFFAOYSA-N 0 0 387.274 3.415 10 30 GGEERN N#CCc1cccc2c1CCN(S(=O)(=O)Cc1cc(F)ccc1Cl)C2 ZINC000599516104 566272472 /nfs/dbraw/zinc/27/24/72/566272472.db2.gz NABSUYIJKIOLND-UHFFFAOYSA-N 0 0 378.856 3.433 10 30 GGEERN COc1ccc(Cl)c(S(=O)(=O)N2CCc3c(CC#N)cccc3C2)c1 ZINC000599513552 566272580 /nfs/dbraw/zinc/27/25/80/566272580.db2.gz RHKLKHKUWVBJFF-UHFFFAOYSA-N 0 0 376.865 3.162 10 30 GGEERN CN(CCC#N)S(=O)(=O)N1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000462294979 566277009 /nfs/dbraw/zinc/27/70/09/566277009.db2.gz LJCGUCNGCWBOJH-UHFFFAOYSA-N 0 0 376.309 3.263 10 30 GGEERN CN1C(=O)C[C@H](NC(=O)c2sccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535101009 566277979 /nfs/dbraw/zinc/27/79/79/566277979.db2.gz PKXKIKCREOIXPU-ZFWWWQNUSA-N 0 0 377.828 3.114 10 30 GGEERN C[C@H](C#N)CN(C1CC1)S(=O)(=O)c1c(Cl)cccc1Br ZINC000509218060 566278235 /nfs/dbraw/zinc/27/82/35/566278235.db2.gz DUKMTOPWVMQAIF-SECBINFHSA-N 0 0 377.691 3.415 10 30 GGEERN C=CCn1c(-c2cccc(Br)c2)nnc1N1C[C@H]2COC[C@]2(C)C1 ZINC000669062263 566281164 /nfs/dbraw/zinc/28/11/64/566281164.db2.gz BVTBIAQVQXCJKW-KSSFIOAISA-N 0 0 389.297 3.366 10 30 GGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000669043292 566281323 /nfs/dbraw/zinc/28/13/23/566281323.db2.gz FCLQGWZKJISNHE-WDEREUQCSA-N 0 0 375.416 3.029 10 30 GGEERN C=CCn1c(-c2cn(C)nn2)nnc1N(C)Cc1cccc(Cl)c1Cl ZINC000669038422 566281330 /nfs/dbraw/zinc/28/13/30/566281330.db2.gz LMQIIYDRJFIXMH-UHFFFAOYSA-N 0 0 378.267 3.203 10 30 GGEERN C=CCn1c(-c2cccc(Br)c2)nnc1N1C[C@@H]2COC[C@@]2(C)C1 ZINC000669062264 566281702 /nfs/dbraw/zinc/28/17/02/566281702.db2.gz BVTBIAQVQXCJKW-RDTXWAMCSA-N 0 0 389.297 3.366 10 30 GGEERN C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000599651973 566281872 /nfs/dbraw/zinc/28/18/72/566281872.db2.gz JTKTWODDHVWDIR-UKRRQHHQSA-N 0 0 376.298 3.189 10 30 GGEERN C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000599651381 566281889 /nfs/dbraw/zinc/28/18/89/566281889.db2.gz GNBZYSQUJYPEAY-ZXYWRSMDSA-N 0 0 390.325 3.435 10 30 GGEERN N#Cc1c(Br)cccc1OCC(=O)Nc1cnc(CC2CC2)nc1 ZINC000556291238 566281914 /nfs/dbraw/zinc/28/19/14/566281914.db2.gz RVJJNUUHBGQQHD-UHFFFAOYSA-N 0 0 387.237 3.081 10 30 GGEERN Cc1cc(Br)ccc1[C@@H]1CCCN1CC(=O)NC1(C#N)CCC1 ZINC000599636037 566282075 /nfs/dbraw/zinc/28/20/75/566282075.db2.gz LTEANIYITUUVBZ-INIZCTEOSA-N 0 0 376.298 3.457 10 30 GGEERN CC(C)(CNC(=O)COc1cccc(Br)c1C#N)C(F)(F)F ZINC000556294901 566282218 /nfs/dbraw/zinc/28/22/18/566282218.db2.gz ZUWCPIDSXFCATJ-UHFFFAOYSA-N 0 0 379.176 3.404 10 30 GGEERN COC(=O)[C@@H]1CCN(Cc2ccc(Br)cc2C#N)[C@H]2CCC[C@H]21 ZINC000599644378 566283026 /nfs/dbraw/zinc/28/30/26/566283026.db2.gz AIPLDPIDXFQREO-BBWFWOEESA-N 0 0 377.282 3.484 10 30 GGEERN C=CCn1c(-c2ccccc2Br)nnc1N1CC[C@H]2COC[C@H]2C1 ZINC000669072445 566283136 /nfs/dbraw/zinc/28/31/36/566283136.db2.gz DAOKXVBQRGPEOT-UONOGXRCSA-N 0 0 389.297 3.366 10 30 GGEERN C=CCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H]2COC[C@]2(C)C1 ZINC000669063892 566283175 /nfs/dbraw/zinc/28/31/75/566283175.db2.gz GZOLOPJFRVXDHB-BZNIZROVSA-N 0 0 395.326 3.428 10 30 GGEERN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C)O[C@@H](C)C1 ZINC000669066901 566283462 /nfs/dbraw/zinc/28/34/62/566283462.db2.gz VUUDDKUNWZRLEM-NEPJUHHUSA-N 0 0 380.290 3.225 10 30 GGEERN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2Br)[C@H]2CCC[C@@H]21 ZINC000599652172 566284637 /nfs/dbraw/zinc/28/46/37/566284637.db2.gz FOKCXNVKBWLBRV-INMHGKMJSA-N 0 0 377.282 3.484 10 30 GGEERN C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1c(Cl)cccc1Br ZINC000509265856 566285424 /nfs/dbraw/zinc/28/54/24/566285424.db2.gz WQVCHGGLRZKBFZ-ZWNOBZJWSA-N 0 0 394.718 3.362 10 30 GGEERN N#CC1(C[C@H](O)CN2CCc3cc(F)cc(Br)c3C2)CCOCC1 ZINC000599683256 566285899 /nfs/dbraw/zinc/28/58/99/566285899.db2.gz POMDBVKZHGELTA-HNNXBMFYSA-N 0 0 397.288 3.018 10 30 GGEERN N#CCc1cccc2c1CCN([C@@H](C(N)=O)c1ccc(Br)cc1)C2 ZINC000599677589 566286623 /nfs/dbraw/zinc/28/66/23/566286623.db2.gz NBENHUVDSZTGGY-GOSISDBHSA-N 0 0 384.277 3.100 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000669103494 566286874 /nfs/dbraw/zinc/28/68/74/566286874.db2.gz RRXGOVDSANHYNQ-QGZVFWFLSA-N 0 0 393.325 3.410 10 30 GGEERN CS(=O)(=O)C[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000535217925 566287360 /nfs/dbraw/zinc/28/73/60/566287360.db2.gz BUDFMDHWGSLKLQ-MRXNPFEDSA-N 0 0 377.853 3.119 10 30 GGEERN N#Cc1cccc(CNS(=O)(=O)c2cccc(Br)c2Cl)c1 ZINC000556347562 566289296 /nfs/dbraw/zinc/28/92/96/566289296.db2.gz YCICBHAEFKHWEV-UHFFFAOYSA-N 0 0 385.670 3.453 10 30 GGEERN N#Cc1cncc(N2CC[C@H](Cc3cccc(I)c3)C2)n1 ZINC000420642357 566291026 /nfs/dbraw/zinc/29/10/26/566291026.db2.gz USTVXXBMAUDPSZ-CYBMUJFWSA-N 0 0 390.228 3.022 10 30 GGEERN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)Cc1ccc(C#N)nc1 ZINC000599730992 566291391 /nfs/dbraw/zinc/29/13/91/566291391.db2.gz LTZVOVCNSCRLJF-KZULUSFZSA-N 0 0 388.265 3.151 10 30 GGEERN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599736397 566291644 /nfs/dbraw/zinc/29/16/44/566291644.db2.gz GAXNWQIBZAJHPS-GLGXLHBASA-N 0 0 377.535 3.456 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000556379529 566293947 /nfs/dbraw/zinc/29/39/47/566293947.db2.gz VRTOQEFIRRWBOE-CABZTGNLSA-N 0 0 399.188 3.012 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC000669310399 566295328 /nfs/dbraw/zinc/29/53/28/566295328.db2.gz DZOYEGBTIPGIOT-CQSZACIVSA-N 0 0 378.885 3.192 10 30 GGEERN N#C[C@@H](NC(=O)[C@@H]1COc2ccc(Br)cc21)c1ccc(F)cc1 ZINC000535331188 566296091 /nfs/dbraw/zinc/29/60/91/566296091.db2.gz BWRKDDZCZSTGRR-HUUCEWRRSA-N 0 0 375.197 3.445 10 30 GGEERN N#Cc1ccc(OCCNS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000462410304 566298084 /nfs/dbraw/zinc/29/80/84/566298084.db2.gz OGHNDNAKVGHGOM-UHFFFAOYSA-N 0 0 385.272 3.363 10 30 GGEERN C=CCN(CCOC)C(=O)CSCc1ccc(Br)cc1F ZINC000482354346 566302868 /nfs/dbraw/zinc/30/28/68/566302868.db2.gz XWCFXYUFKGBQGO-UHFFFAOYSA-N 0 0 376.291 3.482 10 30 GGEERN C=CCN(CCOC)C(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000482342360 566302885 /nfs/dbraw/zinc/30/28/85/566302885.db2.gz HRZLHZOZFRZXHY-KRWDZBQOSA-N 0 0 387.307 3.028 10 30 GGEERN N#C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccc(F)cc1 ZINC000445664981 566303930 /nfs/dbraw/zinc/30/39/30/566303930.db2.gz NTNVQRKCEHGKQR-OAHLLOKOSA-N 0 0 392.184 3.420 10 30 GGEERN O=C(N[C@@H](CO)CC(F)(F)F)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000482379128 566304194 /nfs/dbraw/zinc/30/41/94/566304194.db2.gz MGNQTJFZUGWWPQ-LDWIPMOCSA-N 0 0 380.235 3.181 10 30 GGEERN C[C@H](C#N)CNC(=O)Nc1cc(F)c(Cl)cc1I ZINC000599929078 566304427 /nfs/dbraw/zinc/30/44/27/566304427.db2.gz VHACAZJKWJYTRL-ZCFIWIBFSA-N 0 0 381.576 3.365 10 30 GGEERN O=C(NCC[C@@H](O)C(F)(F)F)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000482379365 566304425 /nfs/dbraw/zinc/30/44/25/566304425.db2.gz CETKDEIILXXXRF-PSASIEDQSA-N 0 0 380.235 3.181 10 30 GGEERN C[C@](O)(CNC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F)C(F)(F)F ZINC000482392688 566305671 /nfs/dbraw/zinc/30/56/71/566305671.db2.gz VMSVOJPLVIUKAK-KOLCDFICSA-N 0 0 380.235 3.181 10 30 GGEERN CSc1ccc(NC(=O)C(=O)N(C[C@H](C)C#N)C2CC2)cc1Br ZINC000599974077 566306442 /nfs/dbraw/zinc/30/64/42/566306442.db2.gz ZPSJYIJTMOAETA-SNVBAGLBSA-N 0 0 396.310 3.260 10 30 GGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCc1ncc(CC)s1 ZINC000576018945 566307298 /nfs/dbraw/zinc/30/72/98/566307298.db2.gz MTIPYKFTCHUQGN-UHFFFAOYSA-N 0 0 397.953 3.294 10 30 GGEERN C=CC(C)(C)CCNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000599995587 566309359 /nfs/dbraw/zinc/30/93/59/566309359.db2.gz SBAYGUAKMGYZPC-UHFFFAOYSA-N 0 0 384.230 3.014 10 30 GGEERN C[C@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)c1cccc(Br)c1 ZINC000462488122 566311350 /nfs/dbraw/zinc/31/13/50/566311350.db2.gz VDUNDCHPPOICQR-AWEZNQCLSA-N 0 0 399.292 3.168 10 30 GGEERN C=CC[C@H]1CCN(S(=O)(=O)c2cc(OC)c(Br)cc2OC)C1 ZINC000625353334 566312403 /nfs/dbraw/zinc/31/24/03/566312403.db2.gz CPKPOPZETBGZGH-NSHDSACASA-N 0 0 390.299 3.053 10 30 GGEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cc(OC)c(Br)cc2OC)C1 ZINC000625353331 566312631 /nfs/dbraw/zinc/31/26/31/566312631.db2.gz CPKPOPZETBGZGH-LLVKDONJSA-N 0 0 390.299 3.053 10 30 GGEERN N#CC[C@@]1(O)CCN(C(=O)c2c(F)ccc(C(F)(F)F)c2Br)C1 ZINC000600065319 566312852 /nfs/dbraw/zinc/31/28/52/566312852.db2.gz XYOXGWCWVUJZMM-CYBMUJFWSA-N 0 0 395.150 3.098 10 30 GGEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)C1 ZINC000625353796 566313230 /nfs/dbraw/zinc/31/32/30/566313230.db2.gz GZKKYFXQXMQHAE-CABCVRRESA-N 0 0 385.913 3.342 10 30 GGEERN N#C[C@H](NC(=O)c1ccc(OCC(F)F)nc1)c1ccc(Br)cc1 ZINC000535585350 566313716 /nfs/dbraw/zinc/31/37/16/566313716.db2.gz OKYUVIYRENEYCO-ZDUSSCGKSA-N 0 0 396.191 3.483 10 30 GGEERN N#CCN(Cc1cc(Cl)cc(Cl)c1OCCN1CCOCC1)C1CC1 ZINC000600115590 566316682 /nfs/dbraw/zinc/31/66/82/566316682.db2.gz UKZXODYNEGJRAX-UHFFFAOYSA-N 0 0 384.307 3.192 10 30 GGEERN C=CCN(CC=C)C(=O)CN(C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445898265 566317532 /nfs/dbraw/zinc/31/75/32/566317532.db2.gz QLXNCUVAMLOMDW-MRXNPFEDSA-N 0 0 379.298 3.405 10 30 GGEERN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCC(=O)CC(C)(C)C1 ZINC000625411092 566319262 /nfs/dbraw/zinc/31/92/62/566319262.db2.gz JCOBRULULNDYMM-UHFFFAOYSA-N 0 0 376.503 3.461 10 30 GGEERN Cc1cc(Br)c(CN2CC[C@@](O)(CC#N)C2)cc1Br ZINC000600166602 566319982 /nfs/dbraw/zinc/31/99/82/566319982.db2.gz FUXWLULLBUUBRY-AWEZNQCLSA-N 0 0 388.103 3.371 10 30 GGEERN N#Cc1cccc(N2CCN(Cc3nc4cc(Br)ccc4o3)CC2)n1 ZINC000509622486 566320726 /nfs/dbraw/zinc/32/07/26/566320726.db2.gz ORGNBBYBBPEFLH-UHFFFAOYSA-N 0 0 398.264 3.179 10 30 GGEERN N#CCCCOc1cccc(NC(=O)c2cc[nH]c(=O)c2Br)c1 ZINC000446099411 566329340 /nfs/dbraw/zinc/32/93/40/566329340.db2.gz MKSVDUGGFYIUGE-UHFFFAOYSA-N 0 0 376.210 3.485 10 30 GGEERN CN(C[C@H]1OCCc2ccccc21)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000509697015 566329654 /nfs/dbraw/zinc/32/96/54/566329654.db2.gz IGGIDDXABQQMNQ-GOSISDBHSA-N 0 0 376.865 3.146 10 30 GGEERN N#Cc1ccsc1C(=O)N[C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000600304775 566332538 /nfs/dbraw/zinc/33/25/38/566332538.db2.gz OXKCJJPYMRGJSL-KRWDZBQOSA-N 0 0 391.290 3.032 10 30 GGEERN N#CCc1cccc(C(=O)N[C@@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC000600305148 566332566 /nfs/dbraw/zinc/33/25/66/566332566.db2.gz SFVZQERXUDMAJW-FQEVSTJZSA-N 0 0 399.288 3.165 10 30 GGEERN COc1ncc(Br)cc1CNC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000600324135 566332800 /nfs/dbraw/zinc/33/28/00/566332800.db2.gz DDTOKFWKXZUYKO-LBPRGKRZSA-N 0 0 388.265 3.219 10 30 GGEERN C[C@@H]1CC(F)(F)CCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000600449134 566338562 /nfs/dbraw/zinc/33/85/62/566338562.db2.gz QPJLGRVELCRCDE-LLVKDONJSA-N 0 0 398.251 3.403 10 30 GGEERN C[C@@H]1[C@H](C(F)(F)F)OCCN1S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000625573387 566338546 /nfs/dbraw/zinc/33/85/46/566338546.db2.gz DYAUVFMJLDDFSG-RDDDGLTNSA-N 0 0 395.296 3.185 10 30 GGEERN C=CCn1cc(CNC(=O)N2CCC[C@@H]2c2ccc(Br)s2)nn1 ZINC000576393759 566341892 /nfs/dbraw/zinc/34/18/92/566341892.db2.gz YVGGZDQXUHPESD-GFCCVEGCSA-N 0 0 396.314 3.335 10 30 GGEERN C=CCn1cc(CNC(=O)N2CCC[C@H]2c2ccc(Br)s2)nn1 ZINC000576393761 566342143 /nfs/dbraw/zinc/34/21/43/566342143.db2.gz YVGGZDQXUHPESD-LBPRGKRZSA-N 0 0 396.314 3.335 10 30 GGEERN O=C(c1ccsc1C(F)(F)F)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000625619824 566344611 /nfs/dbraw/zinc/34/46/11/566344611.db2.gz KFBFEZWQPMRJRS-UHFFFAOYSA-N 0 0 378.313 3.425 10 30 GGEERN C[C@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)C1(C#N)CCOCC1 ZINC000600590488 566348629 /nfs/dbraw/zinc/34/86/29/566348629.db2.gz CYVOVRHIIYJACL-ZFWWWQNUSA-N 0 0 377.282 3.474 10 30 GGEERN COc1ccc(C(=O)N[C@](C)(C#N)CC(C)C)cc1I ZINC000536080316 566349733 /nfs/dbraw/zinc/34/97/33/566349733.db2.gz QNRLDPAAEPINAX-HNNXBMFYSA-N 0 0 386.233 3.358 10 30 GGEERN COc1ccc(C(=O)N[C@@](C)(C#N)CC(C)C)cc1I ZINC000536080317 566349930 /nfs/dbraw/zinc/34/99/30/566349930.db2.gz QNRLDPAAEPINAX-OAHLLOKOSA-N 0 0 386.233 3.358 10 30 GGEERN N#CCc1ccc(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)cc1 ZINC000536119553 566351900 /nfs/dbraw/zinc/35/19/00/566351900.db2.gz RGUNKMOUCBQIFH-UHFFFAOYSA-N 0 0 396.248 3.230 10 30 GGEERN CCn1nc(C(F)(F)F)c(C(=O)N2CC[C@H](OC(F)F)C2)c1C(F)F ZINC000670157473 566352964 /nfs/dbraw/zinc/35/29/64/566352964.db2.gz PWOTWYPTPRPXAB-LURJTMIESA-N 0 0 377.260 3.313 10 30 GGEERN CC1(C)CN(S(=O)(=O)c2ccc(C#N)nc2)c2c1cccc2Br ZINC000600664778 566355616 /nfs/dbraw/zinc/35/56/16/566355616.db2.gz HQRGGHXWKQMMCE-UHFFFAOYSA-N 0 0 392.278 3.202 10 30 GGEERN Cc1ccc(CS(=O)(=O)CC(=O)N(C)Cc2ccc(Cl)s2)cc1C#N ZINC000600663684 566355964 /nfs/dbraw/zinc/35/59/64/566355964.db2.gz GDYTXTATUCMMPG-UHFFFAOYSA-N 0 0 396.921 3.155 10 30 GGEERN CCO[C@H](CS(=O)(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C1CC1 ZINC000600654605 566356018 /nfs/dbraw/zinc/35/60/18/566356018.db2.gz BFCUHTWWGWMGEW-CQSZACIVSA-N 0 0 378.372 3.014 10 30 GGEERN C=C(C)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCOC1 ZINC000670332280 566357558 /nfs/dbraw/zinc/35/75/58/566357558.db2.gz IBSFLXJOHGSLCS-ZDUSSCGKSA-N 0 0 394.317 3.095 10 30 GGEERN C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@H]1CCOC1 ZINC000670342854 566357577 /nfs/dbraw/zinc/35/75/77/566357577.db2.gz GVIHFBYPLUVGFS-ZDUSSCGKSA-N 0 0 377.286 3.366 10 30 GGEERN C=C(C)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CCCO1 ZINC000670296692 566357896 /nfs/dbraw/zinc/35/78/96/566357896.db2.gz FAGQFQAKPIOTRP-AWEZNQCLSA-N 0 0 394.317 3.237 10 30 GGEERN C=C(C)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCCO1 ZINC000670296693 566357964 /nfs/dbraw/zinc/35/79/64/566357964.db2.gz FAGQFQAKPIOTRP-CQSZACIVSA-N 0 0 394.317 3.237 10 30 GGEERN C=CCCCN(C)C(=O)C(=O)Nc1cccc2cncc(Br)c21 ZINC000446667373 566361212 /nfs/dbraw/zinc/36/12/12/566361212.db2.gz NQHIGJQARFECHU-UHFFFAOYSA-N 0 0 376.254 3.360 10 30 GGEERN N#Cc1ccc(NCC(=O)N2CC(Cc3ccccc3Br)C2)cc1 ZINC000600757657 566363878 /nfs/dbraw/zinc/36/38/78/566363878.db2.gz LVKJVSGEHKBAQO-UHFFFAOYSA-N 0 0 384.277 3.434 10 30 GGEERN N#CCc1cccc2c1CCN(C(=O)COc1ccccc1Br)C2 ZINC000600786798 566365173 /nfs/dbraw/zinc/36/51/73/566365173.db2.gz SVNMJSCZXHVBNZ-UHFFFAOYSA-N 0 0 385.261 3.479 10 30 GGEERN N#CCc1cccc2c1CCN(C(=O)c1[nH]nc(C3CC3)c1Br)C2 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CC(F)(F)CCC(=O)NC[C@](C)(NC(=O)CCC(C)(F)F)C(F)(F)F ZINC000671225644 566411703 /nfs/dbraw/zinc/41/17/03/566411703.db2.gz XYUMLUJHCZCARQ-NSHDSACASA-N 0 0 382.320 3.411 10 30 GGEERN N#Cc1cc(Br)ccc1Cn1cc(C(N)=O)c(-c2ccccc2)n1 ZINC000557751101 566414526 /nfs/dbraw/zinc/41/45/26/566414526.db2.gz OSLXKYCANOQRDG-UHFFFAOYSA-N 0 0 381.233 3.331 10 30 GGEERN COC(=O)c1sc2c(c1Br)CN(C(=O)C1(C#N)CC3(CC3)C1)C2 ZINC000601676271 566416265 /nfs/dbraw/zinc/41/62/65/566416265.db2.gz XJVFLKBXLIDQFS-UHFFFAOYSA-N 0 0 395.278 3.223 10 30 GGEERN O=C(CSCC(F)(F)F)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000601687571 566418020 /nfs/dbraw/zinc/41/80/20/566418020.db2.gz DQOGUOJSGAMKLE-UHFFFAOYSA-N 0 0 375.266 3.426 10 30 GGEERN N#Cc1ccncc1C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000601714055 566420201 /nfs/dbraw/zinc/42/02/01/566420201.db2.gz DXHFAWFHPVZGBH-UHFFFAOYSA-N 0 0 398.260 3.424 10 30 GGEERN Cc1ccc(I)c(C(=O)NCC#Cc2ccccc2)c1 ZINC000510928477 566421275 /nfs/dbraw/zinc/42/12/75/566421275.db2.gz LYDCHNYDYGOLQC-UHFFFAOYSA-N 0 0 375.209 3.381 10 30 GGEERN COc1cc(CNC(=O)NCc2cc(F)cc(Br)c2)ccc1C#N ZINC000577331545 566425769 /nfs/dbraw/zinc/42/57/69/566425769.db2.gz BSSUCDUDEUAKSK-UHFFFAOYSA-N 0 0 392.228 3.468 10 30 GGEERN CC[C@@H](C#N)NC(=O)c1cccn1-c1cccc(I)c1 ZINC000484353026 566426343 /nfs/dbraw/zinc/42/63/43/566426343.db2.gz NCKJHSBEAPYXND-LBPRGKRZSA-N 0 0 379.201 3.114 10 30 GGEERN CN(C(=O)CSc1nncn1-c1cccc(Cl)c1)[C@H]1CCC[C@@H]1C#N ZINC000601820007 566426388 /nfs/dbraw/zinc/42/63/88/566426388.db2.gz KGFBLHLKZGPXFV-DOMZBBRYSA-N 0 0 375.885 3.163 10 30 GGEERN Cc1c(C(=O)N(C)[C@@H]2CCC[C@H]2C#N)nnn1-c1cccc(Br)c1 ZINC000601814561 566426463 /nfs/dbraw/zinc/42/64/63/566426463.db2.gz XTWCRUCMUHJCGC-SWLSCSKDSA-N 0 0 388.269 3.103 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)N1CCO[C@](C)(COC)C1 ZINC000626584788 566426672 /nfs/dbraw/zinc/42/66/72/566426672.db2.gz NXLHXTRJXKSLOZ-KRWDZBQOSA-N 0 0 399.285 3.283 10 30 GGEERN COc1ccc(C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)c(I)c1 ZINC000601808881 566426558 /nfs/dbraw/zinc/42/65/58/566426558.db2.gz CWEJSTCIKWPWJZ-QMTHXVAHSA-N 0 0 384.217 3.064 10 30 GGEERN CN(C(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@@H]1CCC[C@H]1C#N ZINC000601816760 566426591 /nfs/dbraw/zinc/42/65/91/566426591.db2.gz ASRRBAMUWGWWAR-WCQYABFASA-N 0 0 375.881 3.435 10 30 GGEERN C=CC[C@H]1CCN(C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C1 ZINC000626583585 566426738 /nfs/dbraw/zinc/42/67/38/566426738.db2.gz OTIDWKUGFRQJSC-ZDUSSCGKSA-N 0 0 395.301 3.111 10 30 GGEERN N#CCC1CCN(S(=O)(=O)c2cc(Br)cc3cccnc32)CC1 ZINC000557836911 566426784 /nfs/dbraw/zinc/42/67/84/566426784.db2.gz WOSYLQRYBMFQFQ-UHFFFAOYSA-N 0 0 394.294 3.312 10 30 GGEERN COc1cc(C)cc(CNS(=O)(=O)c2cccc(Br)c2C#N)c1 ZINC000557841430 566427023 /nfs/dbraw/zinc/42/70/23/566427023.db2.gz AVTAINLXSHWBFP-UHFFFAOYSA-N 0 0 395.278 3.116 10 30 GGEERN CN(C(=O)CSc1nncn1-c1cccc(Cl)c1)[C@H]1CCC[C@H]1C#N ZINC000601820029 566426986 /nfs/dbraw/zinc/42/69/86/566426986.db2.gz KGFBLHLKZGPXFV-WFASDCNBSA-N 0 0 375.885 3.163 10 30 GGEERN COc1ccc(Br)c(-c2nnc(N(C)[C@H]3CCC[C@@H]3C#N)n2C)c1 ZINC000601854211 566427600 /nfs/dbraw/zinc/42/76/00/566427600.db2.gz NHAPHLVYBLBSFV-ABAIWWIYSA-N 0 0 390.285 3.382 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NCc1cccc2c1CCOC2 ZINC000601856066 566428293 /nfs/dbraw/zinc/42/82/93/566428293.db2.gz GKGSAMDFYHHLCU-UHFFFAOYSA-N 0 0 385.261 3.252 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000601887855 566429420 /nfs/dbraw/zinc/42/94/20/566429420.db2.gz LMEXOSSCBVJCTN-ZACQAIPSSA-N 0 0 377.282 3.015 10 30 GGEERN COc1ccc(Br)cc1S(=O)(=O)NCC(C)(C)CCC#N ZINC000557862734 566430042 /nfs/dbraw/zinc/43/00/42/566430042.db2.gz WCTHEGSUMWBGOE-UHFFFAOYSA-N 0 0 375.288 3.066 10 30 GGEERN C=CCCOCCCCC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000537193367 566430629 /nfs/dbraw/zinc/43/06/29/566430629.db2.gz FWTRFUDRKYKANT-UHFFFAOYSA-N 0 0 396.329 3.256 10 30 GGEERN CC(C)(C#N)CCN1C(=O)C[C@]2(CCc3cc(Br)ccc32)C1=O ZINC000601925538 566432673 /nfs/dbraw/zinc/43/26/73/566432673.db2.gz NUNCJWKRWFBBCF-SFHVURJKSA-N 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/nfs/dbraw/zinc/55/08/44/566550844.db2.gz JCRNDYSBMXUJTB-UHFFFAOYSA-N 0 0 388.250 3.097 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)NCc2cc(F)cc(Br)c2)cc1 ZINC000604043164 566552766 /nfs/dbraw/zinc/55/27/66/566552766.db2.gz VBNYMDWKDKUAQZ-UHFFFAOYSA-N 0 0 383.242 3.079 10 30 GGEERN COc1ncc(C(=O)N[C@](C)(C#N)CCc2ccccc2)cc1Br ZINC000424655029 566553038 /nfs/dbraw/zinc/55/30/38/566553038.db2.gz ARINBIQDCOAFIL-SFHVURJKSA-N 0 0 388.265 3.498 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCc2ccccc2N2CCCC2)ccc1Cl ZINC000604126016 566553660 /nfs/dbraw/zinc/55/36/60/566553660.db2.gz CKNRHTMPNZVMGN-UHFFFAOYSA-N 0 0 375.881 3.290 10 30 GGEERN C[C@H](Oc1ccccc1C#N)C(=O)NCCOc1cccc(Br)c1 ZINC000604118180 566554319 /nfs/dbraw/zinc/55/43/19/566554319.db2.gz MOKZZBSCKGCHKS-ZDUSSCGKSA-N 0 0 389.249 3.283 10 30 GGEERN C=CCOc1c(Cl)cc(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1OC ZINC000628455961 566555392 /nfs/dbraw/zinc/55/53/92/566555392.db2.gz CPXCTGNWVMEZCU-CABCVRRESA-N 0 0 385.913 3.065 10 30 GGEERN N#Cc1ccc(OCCNC(=O)N2CCc3ccc(Br)cc32)cc1 ZINC000466110594 566556659 /nfs/dbraw/zinc/55/66/59/566556659.db2.gz ZXXKRUQLSQEHNJ-UHFFFAOYSA-N 0 0 386.249 3.472 10 30 GGEERN C=CCOc1c(Br)cc(CNCc2nnc(C3CC3)[nH]2)cc1OC ZINC000449405036 566558129 /nfs/dbraw/zinc/55/81/29/566558129.db2.gz HUAVDBWEKPGSCY-UHFFFAOYSA-N 0 0 393.285 3.308 10 30 GGEERN CC#CCCCC(=O)Nc1cc(I)cc(C(=O)OC)c1 ZINC000466238919 566559890 /nfs/dbraw/zinc/55/98/90/566559890.db2.gz BHAPRVNQTQIFTI-UHFFFAOYSA-N 0 0 385.201 3.210 10 30 GGEERN C=CC[C@@H]1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)C1 ZINC000628485889 566560214 /nfs/dbraw/zinc/56/02/14/566560214.db2.gz WKNTVRGESIZVCY-CYBMUJFWSA-N 0 0 380.286 3.385 10 30 GGEERN C=CC[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000628482871 566560221 /nfs/dbraw/zinc/56/02/21/566560221.db2.gz AIMLUGDYDNEGSO-GFCCVEGCSA-N 0 0 391.320 3.086 10 30 GGEERN C=CC[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000628492153 566561969 /nfs/dbraw/zinc/56/19/69/566561969.db2.gz OVBFXQFDZRTOPM-NSHDSACASA-N 0 0 376.400 3.115 10 30 GGEERN C=CC[C@H]1CCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000628486369 566561991 /nfs/dbraw/zinc/56/19/91/566561991.db2.gz HDEGEPYVDFWSCK-KBPBESRZSA-N 0 0 377.282 3.227 10 30 GGEERN C=CC[C@@H]1CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000628486372 566562536 /nfs/dbraw/zinc/56/25/36/566562536.db2.gz HDEGEPYVDFWSCK-ZIAGYGMSSA-N 0 0 377.282 3.227 10 30 GGEERN C=CC[C@@H]1CCN(C(=O)c2nnn(-c3cccc(Br)c3)c2C)C1 ZINC000628487011 566562848 /nfs/dbraw/zinc/56/28/48/566562848.db2.gz VTGQQYBSHASZMS-CYBMUJFWSA-N 0 0 375.270 3.376 10 30 GGEERN C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1cccc(Br)c1Cl ZINC000578917324 566563568 /nfs/dbraw/zinc/56/35/68/566563568.db2.gz OJJAPUSTSUOQHK-QMTHXVAHSA-N 0 0 394.718 3.362 10 30 GGEERN C=CCC1(C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)CCOCC1 ZINC000424724789 566563564 /nfs/dbraw/zinc/56/35/64/566563564.db2.gz FZKGUJRPGDVSMJ-ZDUSSCGKSA-N 0 0 388.291 3.222 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)c1cc(F)c(Br)cc1F ZINC000628572502 566564887 /nfs/dbraw/zinc/56/48/87/566564887.db2.gz MJADJSYKHNMYKK-RFAUZJTJSA-N 0 0 389.240 3.375 10 30 GGEERN COC(=O)[C@@H](c1cc(OC)ccc1Br)N(C)Cc1ccc(C#N)o1 ZINC000449460462 566566454 /nfs/dbraw/zinc/56/64/54/566566454.db2.gz NKPBRHZQEROGLL-MRXNPFEDSA-N 0 0 393.237 3.268 10 30 GGEERN CC(C)[C@](C)(NC(=O)[C@H](C)n1cnc(C#N)n1)c1ccc(Br)cc1 ZINC000466349605 566567311 /nfs/dbraw/zinc/56/73/11/566567311.db2.gz ISLLIQIOXMWGKR-SJCJKPOMSA-N 0 0 390.285 3.161 10 30 GGEERN C=CCCCCNC(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC000424773344 566568318 /nfs/dbraw/zinc/56/83/18/566568318.db2.gz MXMVHXHAHDPAGY-UHFFFAOYSA-N 0 0 388.327 3.476 10 30 GGEERN N#Cc1cscc1C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000559743572 566569186 /nfs/dbraw/zinc/56/91/86/566569186.db2.gz QGMSQQKSALVZEY-GFCCVEGCSA-N 0 0 376.279 3.391 10 30 GGEERN COc1ncc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1Br ZINC000424782266 566569780 /nfs/dbraw/zinc/56/97/80/566569780.db2.gz XWVIBRRJETXXQB-GOSISDBHSA-N 0 0 386.249 3.034 10 30 GGEERN Cc1cc(C)c(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1Br ZINC000486221899 566570162 /nfs/dbraw/zinc/57/01/62/566570162.db2.gz WNJWHZLOALONBR-UHFFFAOYSA-N 0 0 378.270 3.157 10 30 GGEERN C[C@@H](NC(=O)N[C@@H](CO)c1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000486266783 566572880 /nfs/dbraw/zinc/57/28/80/566572880.db2.gz DUQACQNTQRNZGR-PXAZEXFGSA-N 0 0 388.265 3.415 10 30 GGEERN C[C@H](NC(=O)N[C@H](CO)c1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000486266786 566573007 /nfs/dbraw/zinc/57/30/07/566573007.db2.gz DUQACQNTQRNZGR-YVEFUNNKSA-N 0 0 388.265 3.415 10 30 GGEERN N#CCc1ccc(NC(=O)CNc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000559945081 566577839 /nfs/dbraw/zinc/57/78/39/566577839.db2.gz UMXCCYJWCJURLO-UHFFFAOYSA-N 0 0 389.209 3.474 10 30 GGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Cc1noc2ccc(Br)cc12 ZINC000424845543 566578620 /nfs/dbraw/zinc/57/86/20/566578620.db2.gz WSSGHEQYBQYSFK-DIFFPNOSSA-N 0 0 379.254 3.230 10 30 GGEERN C=C(C)[C@@H](CC(=O)N[C@@]1(CO)CCc2cc(Br)ccc2C1)OCC ZINC000628681779 566578734 /nfs/dbraw/zinc/57/87/34/566578734.db2.gz MMUAUUHTZGOPNY-MJGOQNOKSA-N 0 0 396.325 3.156 10 30 GGEERN CC(C)C[C@](C)(C#N)NC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000486319133 566578728 /nfs/dbraw/zinc/57/87/28/566578728.db2.gz PMGHSHZZKUUSAS-SUMWQHHRSA-N 0 0 378.270 3.319 10 30 GGEERN CC(C)C[C@@](C)(C#N)NC(=O)[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000486319127 566578799 /nfs/dbraw/zinc/57/87/99/566578799.db2.gz PMGHSHZZKUUSAS-DYVFJYSZSA-N 0 0 378.270 3.319 10 30 GGEERN CC(C)C[C@@](C)(C#N)NC(=O)[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000486319130 566578942 /nfs/dbraw/zinc/57/89/42/566578942.db2.gz PMGHSHZZKUUSAS-GUYCJALGSA-N 0 0 378.270 3.319 10 30 GGEERN C=CCn1cc(C(=O)N2CCC[C@H]2c2ccc(Br)cc2OC)nn1 ZINC000628683343 566580159 /nfs/dbraw/zinc/58/01/59/566580159.db2.gz YSSYXLGMPZPMPO-HNNXBMFYSA-N 0 0 391.269 3.213 10 30 GGEERN C=CCn1cc(C(=O)N2CCC[C@@H]2c2ccc(Br)cc2OC)nn1 ZINC000628683346 566580386 /nfs/dbraw/zinc/58/03/86/566580386.db2.gz YSSYXLGMPZPMPO-OAHLLOKOSA-N 0 0 391.269 3.213 10 30 GGEERN C=CCN1CC[C@H](N(C)C(=O)c2c(C)cc(Br)cc2Cl)C1=O ZINC000466507355 566580978 /nfs/dbraw/zinc/58/09/78/566580978.db2.gz ZDRALFGOHDNWRN-ZDUSSCGKSA-N 0 0 385.689 3.270 10 30 GGEERN C=CCC[C@@H](NC(=O)c1c(C)ccc(Br)c1OC)C(=O)OCC ZINC000424869976 566582655 /nfs/dbraw/zinc/58/26/55/566582655.db2.gz XFSDNEDTRMRHCA-CYBMUJFWSA-N 0 0 384.270 3.394 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(Br)c(OCC)c(OC)c1 ZINC000424919227 566587243 /nfs/dbraw/zinc/58/72/43/566587243.db2.gz WTFLLRZBCUCWLF-FZMZJTMJSA-N 0 0 384.270 3.177 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000424918411 566587341 /nfs/dbraw/zinc/58/73/41/566587341.db2.gz VDCZUPQREQVZTA-JSGCOSHPSA-N 0 0 379.869 3.189 10 30 GGEERN CC(=O)N(C)c1ccc(C(=O)N[C@H](C#N)c2cccc(Br)c2)cc1 ZINC000486427201 566587821 /nfs/dbraw/zinc/58/78/21/566587821.db2.gz ATTIQAWATGGJJP-QGZVFWFLSA-N 0 0 386.249 3.426 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000424928914 566588358 /nfs/dbraw/zinc/58/83/58/566588358.db2.gz AOEYGBMXFNILJH-SZMVWBNQSA-N 0 0 393.325 3.293 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Cn1c(C)c(Br)c2ccccc21 ZINC000424933401 566588821 /nfs/dbraw/zinc/58/88/21/566588821.db2.gz QIZISRKFPUKNQP-BBRMVZONSA-N 0 0 377.282 3.420 10 30 GGEERN CCN(CCC#N)C(=O)CNc1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000539635685 566593933 /nfs/dbraw/zinc/59/39/33/566593933.db2.gz CHHYPSNPWAJVMX-UHFFFAOYSA-N 0 0 380.279 3.084 10 30 GGEERN C[C@@]1(c2ccccc2)NC(=O)N(Cc2ccc(Br)cc2C#N)C1=O ZINC000579267348 566595493 /nfs/dbraw/zinc/59/54/93/566595493.db2.gz JFUMDGBTZWWAPW-SFHVURJKSA-N 0 0 384.233 3.288 10 30 GGEERN COc1cc(CNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)ccc1C#N ZINC000579294259 566596103 /nfs/dbraw/zinc/59/61/03/566596103.db2.gz KTLUXTYYNVHKKX-UHFFFAOYSA-N 0 0 385.272 3.493 10 30 GGEERN C=CCN(CCc1ccco1)S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000486601017 566601969 /nfs/dbraw/zinc/60/19/69/566601969.db2.gz GSVSCJMDNYISGD-UHFFFAOYSA-N 0 0 383.853 3.139 10 30 GGEERN CC(C)COC1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000449790578 566603193 /nfs/dbraw/zinc/60/31/93/566603193.db2.gz MKGJYRHTEBZAHZ-UHFFFAOYSA-N 0 0 395.297 3.363 10 30 GGEERN N#Cc1ccc(N2CCN(C(=O)c3ccsc3Br)CC2)c(F)c1 ZINC000449827081 566605918 /nfs/dbraw/zinc/60/59/18/566605918.db2.gz HCSWFNUWBBHOCA-UHFFFAOYSA-N 0 0 394.269 3.484 10 30 GGEERN CC(C)Cn1ccnc1NC(=O)COc1cccc(Br)c1C#N ZINC000449830110 566607817 /nfs/dbraw/zinc/60/78/17/566607817.db2.gz OMHKMSINCMHJOI-UHFFFAOYSA-N 0 0 377.242 3.191 10 30 GGEERN CN(C)Cc1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1Br ZINC000466961899 566610307 /nfs/dbraw/zinc/61/03/07/566610307.db2.gz QQFJCVLAEFHUFV-UHFFFAOYSA-N 0 0 394.294 3.183 10 30 GGEERN Cc1sc(NC(=O)c2cnn3cc(Br)cnc23)c(C#N)c1C ZINC000539912216 566614213 /nfs/dbraw/zinc/61/42/13/566614213.db2.gz RSXWTYMNUHILCX-UHFFFAOYSA-N 0 0 376.239 3.294 10 30 GGEERN CC[C@@H](NC(=O)COc1ccc(C#N)c(Br)c1)c1nccs1 ZINC000449905855 566615084 /nfs/dbraw/zinc/61/50/84/566615084.db2.gz GXUAVTIXSSTJQK-CYBMUJFWSA-N 0 0 380.267 3.424 10 30 GGEERN COC(=O)c1cc(Br)ccc1NC(=O)N(C[C@H](C)C#N)C1CC1 ZINC000513711565 566619138 /nfs/dbraw/zinc/61/91/38/566619138.db2.gz KNGASIFFWKGRCZ-SNVBAGLBSA-N 0 0 380.242 3.392 10 30 GGEERN CCN(CCOc1ccc(Br)cc1)C(=O)c1ccc(C#N)n1C ZINC000449953323 566619289 /nfs/dbraw/zinc/61/92/89/566619289.db2.gz YMHWZPQBUWFAGZ-UHFFFAOYSA-N 0 0 376.254 3.200 10 30 GGEERN COC(=O)c1cc(Br)ccc1NC(=O)N(C[C@@H](C)C#N)C1CC1 ZINC000513711564 566619923 /nfs/dbraw/zinc/61/99/23/566619923.db2.gz KNGASIFFWKGRCZ-JTQLQIEISA-N 0 0 380.242 3.392 10 30 GGEERN CN(Cc1cc(Br)cs1)C(=O)CSCc1ncc(C#N)cn1 ZINC000579573213 566620355 /nfs/dbraw/zinc/62/03/55/566620355.db2.gz PNYKUPZYQSODQN-UHFFFAOYSA-N 0 0 397.323 3.064 10 30 GGEERN CC(C)n1ncc2c1C[C@H](NC(=O)c1ccc(Br)cc1C#N)CC2 ZINC000449968687 566620561 /nfs/dbraw/zinc/62/05/61/566620561.db2.gz YPIRIJUUBVOLOT-OAHLLOKOSA-N 0 0 387.281 3.385 10 30 GGEERN C[C@@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1ncc(Br)cn1 ZINC000486773985 566620691 /nfs/dbraw/zinc/62/06/91/566620691.db2.gz PQGBZURYKUBSEX-SNVBAGLBSA-N 0 0 391.244 3.405 10 30 GGEERN C=CCCCCCNS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000579613745 566623488 /nfs/dbraw/zinc/62/34/88/566623488.db2.gz BBMBAAARHRJYGJ-UHFFFAOYSA-N 0 0 388.287 3.056 10 30 GGEERN N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000540069618 566625211 /nfs/dbraw/zinc/62/52/11/566625211.db2.gz XNASSLIEASTTQI-RDTXWAMCSA-N 0 0 376.865 3.268 10 30 GGEERN CC(=O)c1cc(Br)ccc1OCC(=O)NCC1(C#N)CCCC1 ZINC000652715474 566625719 /nfs/dbraw/zinc/62/57/19/566625719.db2.gz HFFFFIRSGJTXNJ-UHFFFAOYSA-N 0 0 379.254 3.231 10 30 GGEERN N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 ZINC000540069615 566625960 /nfs/dbraw/zinc/62/59/60/566625960.db2.gz XNASSLIEASTTQI-KBXCAEBGSA-N 0 0 376.865 3.268 10 30 GGEERN N#Cc1ccc(OCC(=O)N2CCC[C@]3(CCCOC3)C2)cc1Br ZINC000450028396 566626219 /nfs/dbraw/zinc/62/62/19/566626219.db2.gz NUZVPORGPGLZRW-SFHVURJKSA-N 0 0 393.281 3.119 10 30 GGEERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000579640516 566626461 /nfs/dbraw/zinc/62/64/61/566626461.db2.gz CQBFMNSFEYKDTK-IINYFYTJSA-N 0 0 396.310 3.207 10 30 GGEERN C[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)c1nc(C(F)(F)F)cs1 ZINC000486826346 566626741 /nfs/dbraw/zinc/62/67/41/566626741.db2.gz PAYAWEFUJCENHL-QMMMGPOBSA-N 0 0 393.387 3.353 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1N1CCC[C@@H](n2ccnn2)C1 ZINC000425281162 566627066 /nfs/dbraw/zinc/62/70/66/566627066.db2.gz YWXIIERCCANGPN-CYBMUJFWSA-N 0 0 383.253 3.302 10 30 GGEERN N#Cc1cc(F)c(N2CCC[C@@H](c3ccnc(N)n3)C2)cc1Br ZINC000579730570 566634272 /nfs/dbraw/zinc/63/42/72/566634272.db2.gz FUBBHXBTFLNZHE-SNVBAGLBSA-N 0 0 376.233 3.046 10 30 GGEERN C=CCC1(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)CCOCC1 ZINC000425378870 566635077 /nfs/dbraw/zinc/63/50/77/566635077.db2.gz CAIFAJUXMYAHFD-UHFFFAOYSA-N 0 0 380.491 3.011 10 30 GGEERN N#CCC(=O)N1CCN(C(=O)CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000450126192 566636849 /nfs/dbraw/zinc/63/68/49/566636849.db2.gz HUXDFLUXLPLARD-UHFFFAOYSA-N 0 0 382.291 3.291 10 30 GGEERN C=CCN(Cc1ccc(S(=O)(=O)N(C)C)s1)Cc1cccc(C#N)c1 ZINC000425399606 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COC(=O)[C@@]1(c2ccccc2)CCN(c2ncc(Br)cc2C#N)C1 ZINC000450543545 566682862 /nfs/dbraw/zinc/68/28/62/566682862.db2.gz YXUZZLBCGSGOKZ-SFHVURJKSA-N 0 0 386.249 3.037 10 30 GGEERN COc1cc(CNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)ccc1C#N ZINC000515022013 566685606 /nfs/dbraw/zinc/68/56/06/566685606.db2.gz WOYQEOJOKCQPKN-UHFFFAOYSA-N 0 0 378.215 3.129 10 30 GGEERN COc1cc(Br)ccc1CCCNC(=O)c1ccc(C#N)n1C ZINC000450562142 566685895 /nfs/dbraw/zinc/68/58/95/566685895.db2.gz MWSPBOATYVWXOJ-UHFFFAOYSA-N 0 0 376.254 3.030 10 30 GGEERN CN(Cc1cc(Br)ccc1F)S(=O)(=O)CC1(C#N)CCC1 ZINC000580378856 566687907 /nfs/dbraw/zinc/68/79/07/566687907.db2.gz BXSJCQUPRDXZPG-UHFFFAOYSA-N 0 0 375.263 3.044 10 30 GGEERN C[C@@H]1N(C(=O)COc2ccc(C#N)c(Br)c2)CCC12CCOCC2 ZINC000450590365 566688131 /nfs/dbraw/zinc/68/81/31/566688131.db2.gz MNVUKIODIWABCV-ZDUSSCGKSA-N 0 0 393.281 3.117 10 30 GGEERN Cc1cc(C#N)nc(NC2CCN(Cc3ccc(Br)cc3)CC2)n1 ZINC000561260954 566689012 /nfs/dbraw/zinc/68/90/12/566689012.db2.gz LIKUWQMVNDDHBG-UHFFFAOYSA-N 0 0 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CCOC(=O)c1cn(CCOCC(F)(F)C(F)(F)F)nc1C(F)(F)F ZINC000468481752 566704522 /nfs/dbraw/zinc/70/45/22/566704522.db2.gz UOQBWIHNWVJKKR-UHFFFAOYSA-N 0 0 384.223 3.293 10 30 GGEERN C[C@]1(c2ccc(F)cc2Br)NC(=O)N(CC2(C#N)CCC2)C1=O ZINC000450828681 566710410 /nfs/dbraw/zinc/71/04/10/566710410.db2.gz MIHKIFAFHUTNGP-OAHLLOKOSA-N 0 0 380.217 3.049 10 30 GGEERN N#Cc1cc(-c2nc(-c3n[nH]c(-c4cccc(Br)c4)n3)no2)ccn1 ZINC000580634333 566710879 /nfs/dbraw/zinc/71/08/79/566710879.db2.gz LOUGLZNVCAUQLF-UHFFFAOYSA-N 0 0 394.192 3.218 10 30 GGEERN C[C@H]1CN(c2nccnc2C#N)CCN1CCc1cc(Cl)ccc1Cl ZINC000488186900 566712206 /nfs/dbraw/zinc/71/22/06/566712206.db2.gz UCBZNXVFGXBARY-ZDUSSCGKSA-N 0 0 376.291 3.408 10 30 GGEERN N#C[C@H](NC(=O)c1cc(-c2ccccn2)no1)c1ccc(Br)cc1 ZINC000468607194 566714547 /nfs/dbraw/zinc/71/45/47/566714547.db2.gz IPQPXKXDJGDQPE-HNNXBMFYSA-N 0 0 383.205 3.494 10 30 GGEERN N#Cc1ccc(-c2nc(COc3ccc(I)cc3)no2)o1 ZINC000426585144 566718845 /nfs/dbraw/zinc/71/88/45/566718845.db2.gz VNKSIBJWXSRRSN-UHFFFAOYSA-N 0 0 393.140 3.385 10 30 GGEERN N#Cc1cc(N2CCC[C@H]2c2ccccc2I)ncn1 ZINC000515551041 566720856 /nfs/dbraw/zinc/72/08/56/566720856.db2.gz YAIYLYNKJLUKRU-AWEZNQCLSA-N 0 0 376.201 3.294 10 30 GGEERN N#Cc1cc(N2CCC[C@@H]2c2ccccc2I)ncn1 ZINC000515551042 566721005 /nfs/dbraw/zinc/72/10/05/566721005.db2.gz YAIYLYNKJLUKRU-CQSZACIVSA-N 0 0 376.201 3.294 10 30 GGEERN O=C(c1cc(F)c(C(F)(F)F)c(F)c1)N1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000654213798 566721511 /nfs/dbraw/zinc/72/15/11/566721511.db2.gz RCOBOVMAJXHJBX-KGFZYKRKSA-N 0 0 377.231 3.369 10 30 GGEERN O=C(CCOCC(F)(F)C(F)(F)F)N[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000654237785 566722634 /nfs/dbraw/zinc/72/26/34/566722634.db2.gz MCSNGACAVAQEQU-RKDXNWHRSA-N 0 0 387.267 3.207 10 30 GGEERN CCC1(CC)CN(C(=O)c2ccc(Br)cc2C#N)CC[S@]1=O ZINC000450936964 566722673 /nfs/dbraw/zinc/72/26/73/566722673.db2.gz GQGWLJZOYGDYKI-JOCHJYFZSA-N 0 0 383.311 3.084 10 30 GGEERN O=C(CCOCC(F)(F)C(F)(F)F)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000654237784 566723232 /nfs/dbraw/zinc/72/32/32/566723232.db2.gz MCSNGACAVAQEQU-IUCAKERBSA-N 0 0 387.267 3.207 10 30 GGEERN C=C(C)[C@H](CO)Sc1nc2sc3c(c2c(=O)n1CCOC)CCCC3 ZINC000677131653 566725386 /nfs/dbraw/zinc/72/53/86/566725386.db2.gz QSAGLYAGQAYBDY-AWEZNQCLSA-N 0 0 380.535 3.012 10 30 GGEERN CC(C)[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)C(F)(F)F ZINC000468786914 566730078 /nfs/dbraw/zinc/73/00/78/566730078.db2.gz CFLYMNPGMWBIBD-NSHDSACASA-N 0 0 385.205 3.186 10 30 GGEERN N#CCC1(CNS(=O)(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000580889634 566731350 /nfs/dbraw/zinc/73/13/50/566731350.db2.gz BQOJRGZKEKTLOC-UHFFFAOYSA-N 0 0 377.691 3.216 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCc2cccc(OCC(F)F)c2)ccc1Cl ZINC000608835303 566737591 /nfs/dbraw/zinc/73/75/91/566737591.db2.gz PYPOLTRKNJRAKP-UHFFFAOYSA-N 0 0 386.807 3.334 10 30 GGEERN C=CCN(C(=O)C(=O)c1ccc(Cl)cc1)c1nc(C(=O)OCC)cs1 ZINC000608896052 566740566 /nfs/dbraw/zinc/74/05/66/566740566.db2.gz JTZDQZJXKRDCBD-UHFFFAOYSA-N 0 0 378.837 3.375 10 30 GGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCOc2cccc(Br)c2C1 ZINC000654554083 566740743 /nfs/dbraw/zinc/74/07/43/566740743.db2.gz RJBRTZJKDFHJCT-DYVFJYSZSA-N 0 0 395.297 3.334 10 30 GGEERN N#Cc1ccc(N2CCC(NC(=O)c3csc(Br)c3)CC2)nc1 ZINC000608951014 566743220 /nfs/dbraw/zinc/74/32/20/566743220.db2.gz MNZHWKLZUJALSB-UHFFFAOYSA-N 0 0 391.294 3.176 10 30 GGEERN C=CCN(C(=O)CSC[C@@H]1CCCCO1)c1nc(C(=O)OCC)cs1 ZINC000608940338 566743451 /nfs/dbraw/zinc/74/34/51/566743451.db2.gz XRAJKENHTNUXGA-ZDUSSCGKSA-N 0 0 384.523 3.141 10 30 GGEERN C=CCOc1c(Br)cc(CN2CCn3nncc3C2)cc1OCC ZINC000516089613 566745489 /nfs/dbraw/zinc/74/54/89/566745489.db2.gz UTGGSGIABHIENG-UHFFFAOYSA-N 0 0 393.285 3.020 10 30 GGEERN COc1cc(Br)ccc1[C@@H](C)N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000468932313 566745520 /nfs/dbraw/zinc/74/55/20/566745520.db2.gz IUGUUXNVFRAPSG-PIGZYNQJSA-N 0 0 388.265 3.207 10 30 GGEERN C=CC[C@H](CO)NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000541763131 566746525 /nfs/dbraw/zinc/74/65/25/566746525.db2.gz DDJUWQVLGPHAOQ-MRXNPFEDSA-N 0 0 396.306 3.331 10 30 GGEERN Cc1csc([C@H](C)NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)n1 ZINC000609019382 566746551 /nfs/dbraw/zinc/74/65/51/566746551.db2.gz RTUMIMPQNMMKLZ-VIFPVBQESA-N 0 0 375.397 3.382 10 30 GGEERN C=C[C@H]1CCCCN1C(=O)c1cc(S(C)(=O)=O)cc(Br)c1C ZINC000488810758 566749054 /nfs/dbraw/zinc/74/90/54/566749054.db2.gz BDEKFZLDQAJJOF-LBPRGKRZSA-N 0 0 386.311 3.342 10 30 GGEERN COc1cc(Br)ccc1[C@@H](C)NS(=O)(=O)c1ccccc1C#N ZINC000468960010 566749030 /nfs/dbraw/zinc/74/90/30/566749030.db2.gz NLSBDPBEGORHAI-LLVKDONJSA-N 0 0 395.278 3.369 10 30 GGEERN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@H]1C1CC1 ZINC000609130107 566750742 /nfs/dbraw/zinc/75/07/42/566750742.db2.gz GKVKZPVJDWAHPE-HNNXBMFYSA-N 0 0 393.281 3.499 10 30 GGEERN C=C[C@@H]1CCCCN1C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000488858280 566752953 /nfs/dbraw/zinc/75/29/53/566752953.db2.gz RKGYITLLIKUGNX-CYBMUJFWSA-N 0 0 391.265 3.002 10 30 GGEERN C=CCN(C(=O)c1oc2ccccc2c1Br)[C@H]1CCS(=O)(=O)C1 ZINC000630795486 566753203 /nfs/dbraw/zinc/75/32/03/566753203.db2.gz DUPDPUBZXZTKDG-NSHDSACASA-N 0 0 398.278 3.011 10 30 GGEERN N#Cc1ccc(CNC(=O)COc2ccc(F)cc2Br)c(F)c1 ZINC000609229770 566754483 /nfs/dbraw/zinc/75/44/83/566754483.db2.gz QUEABERNHUHFGS-UHFFFAOYSA-N 0 0 381.176 3.294 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCc2ccc(Br)cc2)ccc1Cl ZINC000609315559 566757271 /nfs/dbraw/zinc/75/72/71/566757271.db2.gz KBFRAMSBVGQCCB-UHFFFAOYSA-N 0 0 385.670 3.453 10 30 GGEERN C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCOC(C)(C)[C@H]1C ZINC000562035067 566759151 /nfs/dbraw/zinc/75/91/51/566759151.db2.gz GSXFMDWZHFGQOR-GFCCVEGCSA-N 0 0 394.317 3.236 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000469072128 566759213 /nfs/dbraw/zinc/75/92/13/566759213.db2.gz RIPIISSRQNWZNS-USXIJHARSA-N 0 0 379.298 3.125 10 30 GGEERN N#CCN1CCC(NC(=O)N2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000609337303 566759580 /nfs/dbraw/zinc/75/95/80/566759580.db2.gz WOOPWSUGHHIYLK-KRWDZBQOSA-N 0 0 391.313 3.284 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCc2nc3cc(Cl)ccc3s2)ccc1F ZINC000488983107 566761679 /nfs/dbraw/zinc/76/16/79/566761679.db2.gz ZZQXBCYHCWNMCT-UHFFFAOYSA-N 0 0 381.841 3.439 10 30 GGEERN Cc1ncc(S(=O)(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1C#N ZINC000489050881 566765021 /nfs/dbraw/zinc/76/50/21/566765021.db2.gz MDNQMDUDTVVZCL-HNNXBMFYSA-N 0 0 379.894 3.431 10 30 GGEERN CC(C)[C@H](C#N)N1CCN(C(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000609458776 566765206 /nfs/dbraw/zinc/76/52/06/566765206.db2.gz YDCCUAIVSPXYKD-KRWDZBQOSA-N 0 0 392.341 3.419 10 30 GGEERN Cc1ncc(S(=O)(=O)NCCc2nc3cc(Cl)ccc3s2)cc1C#N ZINC000489077025 566766848 /nfs/dbraw/zinc/76/68/48/566766848.db2.gz QALKXEMFBCDQCT-UHFFFAOYSA-N 0 0 392.893 3.046 10 30 GGEERN CO[C@H](CCNC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)C(F)(F)F ZINC000469160904 566767625 /nfs/dbraw/zinc/76/76/25/566767625.db2.gz WIFHRBKMOBCFGL-SSDOTTSWSA-N 0 0 390.246 3.480 10 30 GGEERN COCCN(Cc1ccc(Br)s1)C(=O)c1ccc(C#N)n1C ZINC000451170944 566770429 /nfs/dbraw/zinc/77/04/29/566770429.db2.gz LQTUSEKWKIHSQN-UHFFFAOYSA-N 0 0 382.283 3.010 10 30 GGEERN N#C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000609588653 566771347 /nfs/dbraw/zinc/77/13/47/566771347.db2.gz OPNOBKLGJGBVIK-CQSZACIVSA-N 0 0 392.640 3.422 10 30 GGEERN CCOC(=O)c1sc2ccsc2c1CNS(=O)(=O)CC1(CC#N)CC1 ZINC000451177120 566771481 /nfs/dbraw/zinc/77/14/81/566771481.db2.gz UKSKCBDJZIKDLF-UHFFFAOYSA-N 0 0 398.531 3.253 10 30 GGEERN N#C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000609588652 566771672 /nfs/dbraw/zinc/77/16/72/566771672.db2.gz OPNOBKLGJGBVIK-AWEZNQCLSA-N 0 0 392.640 3.422 10 30 GGEERN Cc1ncc(S(=O)(=O)N2CCCc3cc(Br)ccc32)cc1C#N ZINC000489120380 566772586 /nfs/dbraw/zinc/77/25/86/566772586.db2.gz CIRPDKXAYJWYHM-UHFFFAOYSA-N 0 0 392.278 3.166 10 30 GGEERN C=CCCCS(=O)(=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000489119588 566772625 /nfs/dbraw/zinc/77/26/25/566772625.db2.gz XQSTWZLUQULUOA-UHFFFAOYSA-N 0 0 388.327 3.340 10 30 GGEERN N#C[C@@H](NC(=O)c1cc(-c2cccnc2)on1)c1ccccc1Br ZINC000609591475 566772785 /nfs/dbraw/zinc/77/27/85/566772785.db2.gz UFFQOPPVKKNKQY-OAHLLOKOSA-N 0 0 383.205 3.494 10 30 GGEERN CC(C)(C)c1noc(CCC(=O)N[C@@H](C#N)c2ccccc2Br)n1 ZINC000609589881 566772865 /nfs/dbraw/zinc/77/28/65/566772865.db2.gz QBIWOIWUHZGGKX-ZDUSSCGKSA-N 0 0 391.269 3.443 10 30 GGEERN CSC[C@](C)(C#N)NS(=O)(=O)c1cccc(Br)c1Cl ZINC000562236447 566773385 /nfs/dbraw/zinc/77/33/85/566773385.db2.gz JNSVPDDAGWCHRK-NSHDSACASA-N 0 0 383.720 3.026 10 30 GGEERN N#C[C@H](NC(=O)Cn1ccc(=O)c2ccccc21)c1ccccc1Br ZINC000609592804 566774514 /nfs/dbraw/zinc/77/45/14/566774514.db2.gz IHFZFJCCDXBVSL-INIZCTEOSA-N 0 0 396.244 3.145 10 30 GGEERN NS(=O)(=O)c1cccc(F)c1N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000631070408 566775749 /nfs/dbraw/zinc/77/57/49/566775749.db2.gz WXDNJHFOHMUUMJ-HTQZYQBOSA-N 0 0 394.312 3.040 10 30 GGEERN CCN(Cc1ccccc1Br)S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000489207966 566775618 /nfs/dbraw/zinc/77/56/18/566775618.db2.gz PWLAPONUSIXYDW-UHFFFAOYSA-N 0 0 394.294 3.235 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000469276660 566778005 /nfs/dbraw/zinc/77/80/05/566778005.db2.gz VDUMPGAWSSYXLD-NOZJJQNGSA-N 0 0 393.171 3.489 10 30 GGEERN CN1C(=O)C[C@@H](NC(=O)c2cscc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000489286635 566778354 /nfs/dbraw/zinc/77/83/54/566778354.db2.gz DODFXAMXBSJXIZ-GDBMZVCRSA-N 0 0 377.828 3.114 10 30 GGEERN CN1C(=O)C[C@H](NC(=O)c2cscc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000489286637 566778547 /nfs/dbraw/zinc/77/85/47/566778547.db2.gz DODFXAMXBSJXIZ-GOEBONIOSA-N 0 0 377.828 3.114 10 30 GGEERN COc1ccc(Cl)c2c1N(S(=O)(=O)c1cnc(C)c(C#N)c1)CCC2 ZINC000489279819 566778656 /nfs/dbraw/zinc/77/86/56/566778656.db2.gz PPEUGWOFEHWVCR-UHFFFAOYSA-N 0 0 377.853 3.065 10 30 GGEERN N#Cc1ccc(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)cn1 ZINC000609659633 566778642 /nfs/dbraw/zinc/77/86/42/566778642.db2.gz WHXCSVQEDDQSEY-UHFFFAOYSA-N 0 0 381.233 3.396 10 30 GGEERN CO[C@@H](CCNS(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000469285386 566779284 /nfs/dbraw/zinc/77/92/84/566779284.db2.gz PWMNCGYFJLLTHL-JTQLQIEISA-N 0 0 383.285 3.090 10 30 GGEERN N#C[C@H](NC(=O)c1cccc(-n2cncn2)c1)c1ccc(Br)cc1 ZINC000609659890 566779806 /nfs/dbraw/zinc/77/98/06/566779806.db2.gz RQFNYVJUGGTDDZ-INIZCTEOSA-N 0 0 382.221 3.024 10 30 GGEERN CCN(c1ccc(Br)cc1)S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000489288550 566779987 /nfs/dbraw/zinc/77/99/87/566779987.db2.gz KMSPAQWVJGVRJW-UHFFFAOYSA-N 0 0 380.267 3.239 10 30 GGEERN CN1C(=O)C[C@@H](NC(=O)c2cscc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000489286639 566780658 /nfs/dbraw/zinc/78/06/58/566780658.db2.gz DODFXAMXBSJXIZ-ZBFHGGJFSA-N 0 0 377.828 3.114 10 30 GGEERN N#Cc1c(F)cccc1C(=O)N(CCO)Cc1cc(Br)cs1 ZINC000427586539 566781982 /nfs/dbraw/zinc/78/19/82/566781982.db2.gz KVFYQJMPJGWDRA-UHFFFAOYSA-N 0 0 383.242 3.156 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@@H]2CSc3ccc(Br)cc32)CCC1 ZINC000581516332 566785150 /nfs/dbraw/zinc/78/51/50/566785150.db2.gz GBTJITGQRHTGCG-GFCCVEGCSA-N 0 0 387.324 3.209 10 30 GGEERN C=CCn1cc(C(=O)Nc2cc(Br)cc(C(C)(C)C)c2O)nn1 ZINC000655203997 566786544 /nfs/dbraw/zinc/78/65/44/566786544.db2.gz CCHQWFAYWFLGQJ-UHFFFAOYSA-N 0 0 379.258 3.482 10 30 GGEERN O=S(=O)(C[C@@H]1CCCC1(F)F)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000451279538 566788362 /nfs/dbraw/zinc/78/83/62/566788362.db2.gz XPZDGJWOCSLGSA-AWEZNQCLSA-N 0 0 381.366 3.412 10 30 GGEERN C=C1CC(C)(C(=O)NCCCNC(=O)c2cc(OC)ccc2Br)C1 ZINC000631196579 566788949 /nfs/dbraw/zinc/78/89/49/566788949.db2.gz SKSWXDJIQSXHET-UHFFFAOYSA-N 0 0 395.297 3.050 10 30 GGEERN C=CCCO[C@@H](C)C(=O)N(CCOC)Cc1ccc(Br)s1 ZINC000427733191 566791745 /nfs/dbraw/zinc/79/17/45/566791745.db2.gz DZYUMJOZVBBRBQ-LBPRGKRZSA-N 0 0 376.316 3.467 10 30 GGEERN CC[C@@H](CNS(=O)(=O)c1cnc(C)c(C#N)c1)Oc1ccccc1Cl ZINC000489518199 566793004 /nfs/dbraw/zinc/79/30/04/566793004.db2.gz FQHQHGZCYDWLAN-AWEZNQCLSA-N 0 0 379.869 3.051 10 30 GGEERN N#Cc1cc(=NCC(=O)Nc2ccc(Br)cc2)[nH]c2ccccc12 ZINC000609894683 566793552 /nfs/dbraw/zinc/79/35/52/566793552.db2.gz CIEKVIWRCXCCEX-UHFFFAOYSA-N 0 0 381.233 3.341 10 30 GGEERN Cn1c(C#N)ccc1C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000451325247 566796043 /nfs/dbraw/zinc/79/60/43/566796043.db2.gz ZLIFLQNVMFLMRS-HNNXBMFYSA-N 0 0 387.281 3.376 10 30 GGEERN CC(C)(CNC(=O)COc1ccc(C#N)c(Br)c1)C(F)(F)F ZINC000562546149 566799658 /nfs/dbraw/zinc/79/96/58/566799658.db2.gz ZEILAJDPWMGXRT-UHFFFAOYSA-N 0 0 379.176 3.404 10 30 GGEERN N#CCC1(CS(=O)(=O)N2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000562542695 566799710 /nfs/dbraw/zinc/79/97/10/566799710.db2.gz QOYXHGQJDRNOCS-OAHLLOKOSA-N 0 0 378.885 3.377 10 30 GGEERN COCCN(Cc1ccc(Br)s1)C(=O)c1ccc(C#N)c(O)c1 ZINC000427806618 566800465 /nfs/dbraw/zinc/80/04/65/566800465.db2.gz RVFMGVKVZHCGRY-UHFFFAOYSA-N 0 0 395.278 3.377 10 30 GGEERN Cc1ncc(S(=O)(=O)N2CCC(c3ccc(Cl)cc3)CC2)cc1C#N ZINC000489660291 566800494 /nfs/dbraw/zinc/80/04/94/566800494.db2.gz NPSLDVWAMUSCNC-UHFFFAOYSA-N 0 0 375.881 3.483 10 30 GGEERN N#Cc1c(NC(=O)[C@H]2CCc3cc(Br)ccc32)nc2n1CCS2 ZINC000517031626 566801111 /nfs/dbraw/zinc/80/11/11/566801111.db2.gz QRVKJGIXFLBHKY-LBPRGKRZSA-N 0 0 389.278 3.291 10 30 GGEERN CN(CCOCc1ccc(C#N)cc1)C(=O)c1ncsc1Br ZINC000581751775 566803957 /nfs/dbraw/zinc/80/39/57/566803957.db2.gz QFTXFPCNXWMTBT-UHFFFAOYSA-N 0 0 380.267 3.066 10 30 GGEERN C[C@H](Cc1ccc(Br)cc1)NS(=O)(=O)c1ccc(C#N)cc1F ZINC000610082856 566804509 /nfs/dbraw/zinc/80/45/09/566804509.db2.gz MJPCWGSVMFTOBC-LLVKDONJSA-N 0 0 397.269 3.369 10 30 GGEERN C=CCCn1cc(CSc2nc3cc(Br)c(C)nc3[nH]2)nn1 ZINC000655495007 566804865 /nfs/dbraw/zinc/80/48/65/566804865.db2.gz KGQWGIDWRCBELV-UHFFFAOYSA-N 0 0 379.287 3.489 10 30 GGEERN Cc1cc(Br)cc2c1CN(S(=O)(=O)CC1(CC#N)CC1)CC2 ZINC000451370738 566805264 /nfs/dbraw/zinc/80/52/64/566805264.db2.gz CXEFCQHATGQCAS-UHFFFAOYSA-N 0 0 383.311 3.139 10 30 GGEERN CC(C)CCn1cc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)nn1 ZINC000610124350 566807969 /nfs/dbraw/zinc/80/79/69/566807969.db2.gz FYCYPBLBOAHHBF-CQSZACIVSA-N 0 0 376.258 3.081 10 30 GGEERN N#CC1(CS(=O)(=O)NCC2(c3ccccc3Br)CCC2)CCC1 ZINC000581860189 566809631 /nfs/dbraw/zinc/80/96/31/566809631.db2.gz BQYDOSGMAPTCNE-UHFFFAOYSA-N 0 0 397.338 3.484 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@H](c2cc(F)ccc2F)C(F)F)cc1F ZINC000489802755 566811457 /nfs/dbraw/zinc/81/14/57/566811457.db2.gz LJEKQUZKVPOSNB-CQSZACIVSA-N 0 0 376.306 3.260 10 30 GGEERN N#Cc1cccnc1N1CCN(CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000610211999 566815077 /nfs/dbraw/zinc/81/50/77/566815077.db2.gz NDJSOABQSUNHCF-UHFFFAOYSA-N 0 0 377.275 3.461 10 30 GGEERN C=CCN(Cc1cccs1)S(=O)(=O)Cc1ncsc1Br ZINC000631695545 566817911 /nfs/dbraw/zinc/81/79/11/566817911.db2.gz HHTBXANYRZZWRI-UHFFFAOYSA-N 0 0 393.353 3.485 10 30 GGEERN COc1cc(Br)ccc1[C@@H](C)NS(=O)(=O)CC1(CC#N)CC1 ZINC000451445074 566819527 /nfs/dbraw/zinc/81/95/27/566819527.db2.gz KOMKRHASMSVMOB-LLVKDONJSA-N 0 0 387.299 3.132 10 30 GGEERN C[C@@H](NC(=O)c1ccc(C#N)o1)c1cc2c(cc1Br)OCCO2 ZINC000428142293 566820759 /nfs/dbraw/zinc/82/07/59/566820759.db2.gz RXJMLHRYGBPBBR-SECBINFHSA-N 0 0 377.194 3.176 10 30 GGEERN N#Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)o1 ZINC000428159894 566822298 /nfs/dbraw/zinc/82/22/98/566822298.db2.gz CKRXEQNHRRLLLT-UHFFFAOYSA-N 0 0 378.215 3.056 10 30 GGEERN C=CCn1c(-c2cccc(Br)c2)nnc1N(C[C@@H](C)O)C1CC1 ZINC000655616017 566822800 /nfs/dbraw/zinc/82/28/00/566822800.db2.gz SVINZPKPQRVTGE-GFCCVEGCSA-N 0 0 377.286 3.243 10 30 GGEERN C=CCn1c(-c2ccc(F)cc2Br)nnc1N(C[C@H](C)O)C1CC1 ZINC000655615968 566822806 /nfs/dbraw/zinc/82/28/06/566822806.db2.gz QXRJWBCKAFLWBA-NSHDSACASA-N 0 0 395.276 3.382 10 30 GGEERN C=CCn1c(-c2cc(F)ccc2Br)nnc1N(C[C@H](C)O)C1CC1 ZINC000655616511 566822999 /nfs/dbraw/zinc/82/29/99/566822999.db2.gz RFPCAUQQPHEFPP-NSHDSACASA-N 0 0 395.276 3.382 10 30 GGEERN N#Cc1ncccc1S(=O)(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000428250988 566827432 /nfs/dbraw/zinc/82/74/32/566827432.db2.gz RXIUEWXKIPUHNW-LBPRGKRZSA-N 0 0 379.844 3.142 10 30 GGEERN CC(C)(CNS(=O)(=O)CC1(C#N)CCC1)c1ccccc1Br ZINC000517438467 566827478 /nfs/dbraw/zinc/82/74/78/566827478.db2.gz FJSJYNAGWBEDCD-UHFFFAOYSA-N 0 0 385.327 3.340 10 30 GGEERN C[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000490067206 566829221 /nfs/dbraw/zinc/82/92/21/566829221.db2.gz XCJABSAWWSOVTF-SNVBAGLBSA-N 0 0 389.424 3.158 10 30 GGEERN Cc1nc(NC(=O)c2nnn(C3CC3)c2C(F)(F)F)sc1SCC#N ZINC000610412142 566829724 /nfs/dbraw/zinc/82/97/24/566829724.db2.gz XRPCMAMWNAVSJA-UHFFFAOYSA-N 0 0 388.400 3.265 10 30 GGEERN N#CC1(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)CCOCC1 ZINC000517557418 566830839 /nfs/dbraw/zinc/83/08/39/566830839.db2.gz GKOHFFSHSPBODU-UHFFFAOYSA-N 0 0 378.454 3.228 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000582176839 566837454 /nfs/dbraw/zinc/83/74/54/566837454.db2.gz NSJBKGWKJFJWJE-RBOXIYTFSA-N 0 0 383.275 3.054 10 30 GGEERN N#Cc1cccc(CC(=O)Nc2cc(I)ccc2O)c1 ZINC000610527778 566840178 /nfs/dbraw/zinc/84/01/78/566840178.db2.gz HMKNSLGBNLJWLN-UHFFFAOYSA-N 0 0 378.169 3.050 10 30 GGEERN C[C@@H](C#N)CN(C1CC1)S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000428411456 566841161 /nfs/dbraw/zinc/84/11/61/566841161.db2.gz DSTFKLQDUPIYTG-VIFPVBQESA-N 0 0 377.691 3.415 10 30 GGEERN C[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)Oc1ccc(Cl)cc1 ZINC000428412148 566841521 /nfs/dbraw/zinc/84/15/21/566841521.db2.gz KRDUEQUWGAAYAV-LBPRGKRZSA-N 0 0 382.844 3.238 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000563022467 566845668 /nfs/dbraw/zinc/84/56/68/566845668.db2.gz BZCJDSZNPQGXEK-CQDKDKBSSA-N 0 0 381.270 3.163 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000563022468 566846199 /nfs/dbraw/zinc/84/61/99/566846199.db2.gz BZCJDSZNPQGXEK-GLQYFDAESA-N 0 0 381.270 3.163 10 30 GGEERN C[C@@H]1CN(C(=O)c2ccc(Br)cc2C#N)C[C@]2(CCO[C@H](C)C2)O1 ZINC000451595638 566846273 /nfs/dbraw/zinc/84/62/73/566846273.db2.gz KKNPHVRNYRXPOW-SNUQEOBHSA-N 0 0 393.281 3.119 10 30 GGEERN CS(=O)(=O)c1ccc(F)c(NC(=O)CSc2cccc(Cl)c2C#N)c1 ZINC000543031239 566846355 /nfs/dbraw/zinc/84/63/55/566846355.db2.gz MRHCKGBYOMNLBB-UHFFFAOYSA-N 0 0 398.868 3.485 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCc2c(F)c(F)cc(F)c2F)ccc1Cl ZINC000610591687 566846813 /nfs/dbraw/zinc/84/68/13/566846813.db2.gz LPBIONHIJLEFSI-UHFFFAOYSA-N 0 0 378.734 3.247 10 30 GGEERN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cnc2c(Br)cccn12 ZINC000582292446 566849106 /nfs/dbraw/zinc/84/91/06/566849106.db2.gz VMYNDEGJDPOHRI-LLVKDONJSA-N 0 0 385.221 3.374 10 30 GGEERN C[C@@H](CNS(=O)(=O)Cc1ccc(CC#N)cc1)Oc1cccc(Cl)c1 ZINC000563051905 566849513 /nfs/dbraw/zinc/84/95/13/566849513.db2.gz JHHNCQSHNRCFCG-AWEZNQCLSA-N 0 0 378.881 3.293 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCc1nnc2n1CCCCC2 ZINC000582338166 566853188 /nfs/dbraw/zinc/85/31/88/566853188.db2.gz XSMZASDUEQISHI-UHFFFAOYSA-N 0 0 377.242 3.226 10 30 GGEERN CC(C)(NS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1cc(C(F)(F)F)on1 ZINC000490467114 566855623 /nfs/dbraw/zinc/85/56/23/566855623.db2.gz BYJHXXMXLIFXDS-UHFFFAOYSA-N 0 0 393.774 3.432 10 30 GGEERN CCN(CC)S(=O)(=O)c1ccc(SCc2ccc(CC#N)cc2)nc1 ZINC000543142071 566856168 /nfs/dbraw/zinc/85/61/68/566856168.db2.gz BVULMASNJGBKAS-UHFFFAOYSA-N 0 0 375.519 3.470 10 30 GGEERN C=CCn1c(-c2scnc2C)nnc1N1CC[S@@](=O)C(CC)(CC)C1 ZINC000563127791 566856676 /nfs/dbraw/zinc/85/66/76/566856676.db2.gz SYEKCEHXPKHTMB-RUZDIDTESA-N 0 0 379.555 3.024 10 30 GGEERN O=c1c(I)cc(F)cn1CC#Cc1ccccc1Cl ZINC000543147664 566857048 /nfs/dbraw/zinc/85/70/48/566857048.db2.gz PYAJFBWKDLJMBL-UHFFFAOYSA-N 0 0 387.579 3.297 10 30 GGEERN CCOc1cccc(Cn2cc(C#N)c(=O)c3cc(Br)ccc32)n1 ZINC000543150753 566857282 /nfs/dbraw/zinc/85/72/82/566857282.db2.gz BIVGUGMIMACYCX-UHFFFAOYSA-N 0 0 384.233 3.478 10 30 GGEERN C=CCOCCNC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000679503306 566859418 /nfs/dbraw/zinc/85/94/18/566859418.db2.gz LHIUOUOTBQPBGK-UHFFFAOYSA-N 0 0 378.270 3.201 10 30 GGEERN C=CCOCCNC(=O)c1ccc(OCc2cc(C)on2)c(Br)c1 ZINC000679515727 566859588 /nfs/dbraw/zinc/85/95/88/566859588.db2.gz IJXHMHQZJLENGY-UHFFFAOYSA-N 0 0 395.253 3.257 10 30 GGEERN C=CCOCCNC(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC000679498365 566859643 /nfs/dbraw/zinc/85/96/43/566859643.db2.gz SMITUCKRNUIBFS-UHFFFAOYSA-N 0 0 387.324 3.495 10 30 GGEERN C=CCOCCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC000679493882 566859890 /nfs/dbraw/zinc/85/98/90/566859890.db2.gz IIAODXSRYJPCKX-INIZCTEOSA-N 0 0 387.307 3.457 10 30 GGEERN C=CCOCCNC(=O)N[C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000679497907 566859909 /nfs/dbraw/zinc/85/99/09/566859909.db2.gz QECAWSAUBYVZFQ-LLVKDONJSA-N 0 0 395.257 3.062 10 30 GGEERN C=CCOCCNC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000679504190 566859979 /nfs/dbraw/zinc/85/99/79/566859979.db2.gz SWUVYXGORDERPO-HNNXBMFYSA-N 0 0 377.243 3.418 10 30 GGEERN C=CCOCCNC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000679494847 566860037 /nfs/dbraw/zinc/86/00/37/566860037.db2.gz AOJBWHJDVYGGTF-UHFFFAOYSA-N 0 0 393.237 3.227 10 30 GGEERN C=CCOCCNC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000679503234 566860249 /nfs/dbraw/zinc/86/02/49/566860249.db2.gz ILCKYWAALDUEQQ-UHFFFAOYSA-N 0 0 378.270 3.201 10 30 GGEERN CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000518039609 566861783 /nfs/dbraw/zinc/86/17/83/566861783.db2.gz TYNBDKMLHOXPMU-RISCZKNCSA-N 0 0 377.535 3.385 10 30 GGEERN C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)[C@@H]1OCCc2sccc21 ZINC000490519142 566862022 /nfs/dbraw/zinc/86/20/22/566862022.db2.gz FUAOJFXRMKKCBV-HWPZZCPQSA-N 0 0 382.894 3.254 10 30 GGEERN COc1ccc(Br)cc1CC(=O)NCc1ccc(C#N)c(OC)c1 ZINC000518019805 566862164 /nfs/dbraw/zinc/86/21/64/566862164.db2.gz SFRQOSKSGBBXQL-UHFFFAOYSA-N 0 0 389.249 3.197 10 30 GGEERN C=CCOCCNC(=O)Nc1c(-c2ccc(Br)cc2)c(C)nn1C ZINC000679566839 566863275 /nfs/dbraw/zinc/86/32/75/566863275.db2.gz OPHGIPJDJZDXAC-UHFFFAOYSA-N 0 0 393.285 3.482 10 30 GGEERN COC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000610787273 566863875 /nfs/dbraw/zinc/86/38/75/566863875.db2.gz CUZDCYDZHWSTMZ-IRXDYDNUSA-N 0 0 384.307 3.373 10 30 GGEERN N#C[C@@H](NC(=O)c1cnn(-c2cccnc2)c1)c1ccc(Br)cc1 ZINC000470346368 566866168 /nfs/dbraw/zinc/86/61/68/566866168.db2.gz KRRQEFPFUKPTKG-MRXNPFEDSA-N 0 0 382.221 3.024 10 30 GGEERN N#Cc1ccc(OCC(=O)NCC2(C(F)(F)F)CC2)cc1Br ZINC000451731535 566870687 /nfs/dbraw/zinc/87/06/87/566870687.db2.gz YNHSQCAEMGSZAC-UHFFFAOYSA-N 0 0 377.160 3.158 10 30 GGEERN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000451739380 566871871 /nfs/dbraw/zinc/87/18/71/566871871.db2.gz WKWTWBCYXMWTLG-ONGXEEELSA-N 0 0 391.276 3.141 10 30 GGEERN N#CC[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(Br)c(Cl)c2)C1 ZINC000451731681 566872318 /nfs/dbraw/zinc/87/23/18/566872318.db2.gz DSAWTERJNNPNQU-UWVGGRQHSA-N 0 0 377.691 3.463 10 30 GGEERN N#CC[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(Cl)c(Br)c2)C1 ZINC000451734688 566872617 /nfs/dbraw/zinc/87/26/17/566872617.db2.gz KSOTXHOOIAGOKA-UWVGGRQHSA-N 0 0 377.691 3.463 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000470448301 566873913 /nfs/dbraw/zinc/87/39/13/566873913.db2.gz OCOXZOVVQGCZOX-DJIMGWMZSA-N 0 0 379.298 3.125 10 30 GGEERN CCOC(=O)c1sc2ccsc2c1CNC(=O)C1(C#N)CCOCC1 ZINC000518283383 566874944 /nfs/dbraw/zinc/87/49/44/566874944.db2.gz BBSVCZXFAMAQJD-UHFFFAOYSA-N 0 0 378.475 3.076 10 30 GGEERN C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632331365 566875965 /nfs/dbraw/zinc/87/59/65/566875965.db2.gz LBOIGZOCNAOKJQ-UHFFFAOYSA-N 0 0 386.857 3.058 10 30 GGEERN N#Cc1cc(CS(=O)(=O)Cc2ccc(Br)cc2Cl)ccn1 ZINC000610954942 566876845 /nfs/dbraw/zinc/87/68/45/566876845.db2.gz RBKKHEDZFZSALC-UHFFFAOYSA-N 0 0 385.670 3.484 10 30 GGEERN CCN(CC)S(=O)(=O)c1cc(NCc2ccnc(C#N)c2)ccc1Cl ZINC000610956222 566877480 /nfs/dbraw/zinc/87/74/80/566877480.db2.gz YSEYRCOBHXQDTQ-UHFFFAOYSA-N 0 0 378.885 3.249 10 30 GGEERN N#Cc1cc(CS(=O)(=O)Cc2cc(Br)ccc2Cl)ccn1 ZINC000610955048 566877727 /nfs/dbraw/zinc/87/77/27/566877727.db2.gz XOHIHNUPOQRHDF-UHFFFAOYSA-N 0 0 385.670 3.484 10 30 GGEERN COCCN(Cc1scnc1C)C(=O)CSCc1ccc(C#N)cc1 ZINC000470494686 566879614 /nfs/dbraw/zinc/87/96/14/566879614.db2.gz DLRISXGYXORMPL-UHFFFAOYSA-N 0 0 375.519 3.232 10 30 GGEERN C=CCCn1cc(CS(=O)(=O)[C@H](C)c2ccc(Br)cc2)nn1 ZINC000656175174 566880017 /nfs/dbraw/zinc/88/00/17/566880017.db2.gz LHTAXYNVSBBONA-GFCCVEGCSA-N 0 0 384.299 3.293 10 30 GGEERN C=CCN(C(=O)c1cnc(OC)c(Cl)c1)c1nc(C(=O)OCC)cs1 ZINC000518384223 566880331 /nfs/dbraw/zinc/88/03/31/566880331.db2.gz ZGVJUHWVTASOTC-UHFFFAOYSA-N 0 0 381.841 3.210 10 30 GGEERN N#Cc1ccc(CNC(=O)c2cccc(F)c2I)c(F)c1 ZINC000611001271 566880691 /nfs/dbraw/zinc/88/06/91/566880691.db2.gz JMRFDCKKSJXVOB-UHFFFAOYSA-N 0 0 398.150 3.371 10 30 GGEERN C=C(C)CCNS(=O)(=O)c1cc(Br)ccc1OCCOCC ZINC000451803969 566884049 /nfs/dbraw/zinc/88/40/49/566884049.db2.gz SRVLAAICIZDFDL-UHFFFAOYSA-N 0 0 392.315 3.109 10 30 GGEERN C[C@H](C#N)CN(C(=O)c1cc(I)c(F)cc1F)C1CC1 ZINC000611088676 566887885 /nfs/dbraw/zinc/88/78/85/566887885.db2.gz JKWKUIKKRKQIAJ-MRVPVSSYSA-N 0 0 390.171 3.334 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(OC)c(OC)cc1Br ZINC000582781840 566893347 /nfs/dbraw/zinc/89/33/47/566893347.db2.gz BFSBNAPEJROWMN-GWCFXTLKSA-N 0 0 385.258 3.179 10 30 GGEERN COc1ccc(CN(c2ccccc2Br)S(C)(=O)=O)cc1C#N ZINC000611145394 566893462 /nfs/dbraw/zinc/89/34/62/566893462.db2.gz ISAUOOXSGUHSFQ-UHFFFAOYSA-N 0 0 395.278 3.296 10 30 GGEERN N#Cc1cnc(C(=O)Nc2cc(I)ccc2O)c(Cl)c1 ZINC000611157309 566894637 /nfs/dbraw/zinc/89/46/37/566894637.db2.gz YMADUOGCXGQYSI-UHFFFAOYSA-N 0 0 399.575 3.169 10 30 GGEERN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccnc2n[nH]nc21 ZINC000582799593 566895639 /nfs/dbraw/zinc/89/56/39/566895639.db2.gz ZDGAFVVOGSUUOM-UHFFFAOYSA-N 0 0 390.216 3.083 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)CCC1 ZINC000582872851 566901826 /nfs/dbraw/zinc/90/18/26/566901826.db2.gz JVIZTLPXTNECAB-AWEZNQCLSA-N 0 0 377.293 3.030 10 30 GGEERN CC(C)C[C@H](C#N)NC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000611251767 566903202 /nfs/dbraw/zinc/90/32/02/566903202.db2.gz YPKFSSUTKIJRHS-SJORKVTESA-N 0 0 384.307 3.421 10 30 GGEERN N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2cc(F)cc(Br)c2)cc1 ZINC000470835356 566907367 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Cn1cc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)c2ccccc2c1=O ZINC000429709009 566946797 /nfs/dbraw/zinc/94/67/97/566946797.db2.gz MNJAKJFZLJEBOO-QGZVFWFLSA-N 0 0 396.244 3.296 10 30 GGEERN Cc1c(NCC(=O)N[C@@](C)(C#N)C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000429802740 566950683 /nfs/dbraw/zinc/95/06/83/566950683.db2.gz ZEOLNBBWVZHWIW-HNNXBMFYSA-N 0 0 383.246 3.132 10 30 GGEERN Cc1c(NCC(=O)NC2(C#N)CCCCC2)cc(Br)cc1[N+](=O)[O-] ZINC000429787571 566951659 /nfs/dbraw/zinc/95/16/59/566951659.db2.gz PCONKOXHZHWVQO-UHFFFAOYSA-N 0 0 395.257 3.420 10 30 GGEERN N#CCN1CCC(NC(=O)N2CCC[C@H]2c2ccc(Br)s2)CC1 ZINC000612122636 566954080 /nfs/dbraw/zinc/95/40/80/566954080.db2.gz ZPVVWMWKYCSXAF-ZDUSSCGKSA-N 0 0 397.342 3.345 10 30 GGEERN COc1ccc2c(c1)CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)C2 ZINC000612144059 566956634 /nfs/dbraw/zinc/95/66/34/566956634.db2.gz QJEJHIGYTPWWGT-HNNXBMFYSA-N 0 0 376.865 3.056 10 30 GGEERN CN(Cc1cccc(C#N)c1)C(=O)c1cnc2ccc(Br)cc2c1O ZINC000544373341 566957848 /nfs/dbraw/zinc/95/78/48/566957848.db2.gz CCNATVMRYCSJJL-UHFFFAOYSA-N 0 0 396.244 3.434 10 30 GGEERN N#Cc1cc(Br)cn(Cc2ccc(Br)c(F)c2)c1=O ZINC000519695547 566960576 /nfs/dbraw/zinc/96/05/76/566960576.db2.gz VAVFJLRJIADXII-UHFFFAOYSA-N 0 0 386.018 3.432 10 30 GGEERN C=CCOc1ccccc1C(=O)Nc1cn(CC)cc(Br)c1=O ZINC000544414123 566963152 /nfs/dbraw/zinc/96/31/52/566963152.db2.gz SIRZULZMVJQQSE-UHFFFAOYSA-N 0 0 377.238 3.448 10 30 GGEERN CC(C)(NS(=O)(=O)CC1(C#N)CCC1)c1ccc(OC(F)(F)F)cc1 ZINC000564340413 566965646 /nfs/dbraw/zinc/96/56/46/566965646.db2.gz DZSSSJKFXSUTLU-UHFFFAOYSA-N 0 0 376.400 3.434 10 30 GGEERN N#Cc1ccc(C(=O)NCC2(c3cccc(Br)c3)CCOCC2)o1 ZINC000429901532 566966094 /nfs/dbraw/zinc/96/60/94/566966094.db2.gz JKKMSQYUXLPNHZ-UHFFFAOYSA-N 0 0 389.249 3.392 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](CC)Cc1ccccc1Br ZINC000612355566 566966728 /nfs/dbraw/zinc/96/67/28/566966728.db2.gz JQSZVTXFOYUNMV-DOTOQJQBSA-N 0 0 381.314 3.357 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](CC)Cc1ccccc1Br ZINC000612355567 566967602 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O=C(NCC[C@@H](O)C(F)(F)F)Nc1ccc(F)cc1OCC(F)(F)F ZINC000494177285 566974748 /nfs/dbraw/zinc/97/47/48/566974748.db2.gz WCGZTXVVKAJFHM-SNVBAGLBSA-N 0 0 378.244 3.202 10 30 GGEERN Cc1nc(CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)sc1Br ZINC000452397935 566975330 /nfs/dbraw/zinc/97/53/30/566975330.db2.gz LSKPZJWRFXUUFQ-ZDUSSCGKSA-N 0 0 389.278 3.084 10 30 GGEERN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC(C)(C)[C@H]1C ZINC000519859713 566975353 /nfs/dbraw/zinc/97/53/53/566975353.db2.gz WAFIYNFMROCDMV-LLVKDONJSA-N 0 0 380.290 3.225 10 30 GGEERN Cc1nc(CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)sc1Br ZINC000452401124 566976486 /nfs/dbraw/zinc/97/64/86/566976486.db2.gz VRLANSOKRQXBDS-SNVBAGLBSA-N 0 0 380.267 3.169 10 30 GGEERN O=C(CCc1nnc(C(F)F)o1)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000633731051 566985054 /nfs/dbraw/zinc/98/50/54/566985054.db2.gz JYPGVHCVSFXRAE-UHFFFAOYSA-N 0 0 393.244 3.084 10 30 GGEERN O=C(Nc1nnc(C(F)(F)C(F)(F)F)s1)C1CCN(CC(F)F)CC1 ZINC000633730462 566985137 /nfs/dbraw/zinc/98/51/37/566985137.db2.gz 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C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000633847471 566999375 /nfs/dbraw/zinc/99/93/75/566999375.db2.gz NGXMJSUVIHCEGF-PBHICJAKSA-N 0 0 392.293 3.435 10 30 GGEERN C[C@]12CCN(C(=O)COc3cccc(Br)c3C#N)C[C@H]1C2(F)F ZINC000583975859 566999374 /nfs/dbraw/zinc/99/93/74/566999374.db2.gz GDQLAOBKIKRIKB-HIFRSBDPSA-N 0 0 385.208 3.203 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1(c2ccccc2Br)CC1 ZINC000564724056 567002498 /nfs/dbraw/zinc/00/24/98/567002498.db2.gz GCYAKEDDWQWKOQ-BBRMVZONSA-N 0 0 379.298 3.371 10 30 GGEERN N#Cc1nccc(N2CC[C@H](Cc3cccc(I)c3)C2)n1 ZINC000584004482 567003542 /nfs/dbraw/zinc/00/35/42/567003542.db2.gz MCKSTUSQLWMEDQ-CYBMUJFWSA-N 0 0 390.228 3.022 10 30 GGEERN COc1ccc(Br)cc1CN1CCN(c2cccc(C#N)n2)CC1 ZINC000544877425 567004015 /nfs/dbraw/zinc/00/40/15/567004015.db2.gz OADLVSNXVAUMRA-UHFFFAOYSA-N 0 0 387.281 3.047 10 30 GGEERN N#Cc1cccc(N2CCN(C(=O)Nc3ccc(Br)cc3)CC2)n1 ZINC000544878086 567004103 /nfs/dbraw/zinc/00/41/03/567004103.db2.gz HGEJVWGGNDJZQL-UHFFFAOYSA-N 0 0 386.253 3.070 10 30 GGEERN N#Cc1ccc(-c2nc(Cc3cc4c(cc3Br)OCO4)no2)cn1 ZINC000612912886 567004222 /nfs/dbraw/zinc/00/42/22/567004222.db2.gz RALRQGHTRRIYJK-UHFFFAOYSA-N 0 0 385.177 3.085 10 30 GGEERN N#Cc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)cn1 ZINC000612955949 567005068 /nfs/dbraw/zinc/00/50/68/567005068.db2.gz NGGQORMXJFNJKF-UHFFFAOYSA-N 0 0 386.165 3.265 10 30 GGEERN C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCS1 ZINC000494661589 567015139 /nfs/dbraw/zinc/01/51/39/567015139.db2.gz OGPONDFLONQCGC-GFCCVEGCSA-N 0 0 375.885 3.179 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000564888354 567017965 /nfs/dbraw/zinc/01/79/65/567017965.db2.gz YUURKXLTBPLHCN-JXKQKZCASA-N 0 0 385.291 3.184 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000564886130 567018112 /nfs/dbraw/zinc/01/81/12/567018112.db2.gz DOVHXSUCBNAZEN-LRDDRELGSA-N 0 0 391.269 3.347 10 30 GGEERN Cc1cc(Br)ccc1NC(=O)CCNC(=O)NCC1(CC#N)CC1 ZINC000430569486 567020655 /nfs/dbraw/zinc/02/06/55/567020655.db2.gz HVTBKDFCIWSVJU-UHFFFAOYSA-N 0 0 393.285 3.079 10 30 GGEERN O=C(N[C@H](CO)CC(F)(F)F)c1c(F)c(F)c(Br)c(F)c1F ZINC000613215958 567021477 /nfs/dbraw/zinc/02/14/77/567021477.db2.gz OJJZBCMOHJJIII-VKHMYHEASA-N 0 0 398.072 3.049 10 30 GGEERN C=CCOCCCNS(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000657148107 567023828 /nfs/dbraw/zinc/02/38/28/567023828.db2.gz RUSWRKHSBQDOIO-UHFFFAOYSA-N 0 0 382.707 3.115 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000613246987 567024793 /nfs/dbraw/zinc/02/47/93/567024793.db2.gz KWEOKPHYTNCORL-OAHLLOKOSA-N 0 0 389.279 3.428 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCc2cc(Br)cc(C)c2C1 ZINC000613258334 567026571 /nfs/dbraw/zinc/02/65/71/567026571.db2.gz SBNTXXFTNKZCEU-QGZVFWFLSA-N 0 0 379.298 3.113 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000613305483 567029231 /nfs/dbraw/zinc/02/92/31/567029231.db2.gz RJWQPVOMELVYBD-CXAGYDPISA-N 0 0 384.307 3.159 10 30 GGEERN CC#CCCCC(=O)N1Cc2cccc(Br)c2C[C@@H]1C(=O)OC ZINC000452950527 567035268 /nfs/dbraw/zinc/03/52/68/567035268.db2.gz ISUMRNZHWDGLIP-MRXNPFEDSA-N 0 0 378.266 3.069 10 30 GGEERN CC#CCCCC(=O)N1Cc2cccc(Br)c2C[C@H]1C(=O)OC ZINC000452950526 567035501 /nfs/dbraw/zinc/03/55/01/567035501.db2.gz ISUMRNZHWDGLIP-INIZCTEOSA-N 0 0 378.266 3.069 10 30 GGEERN Cc1cc(Br)cc2c1CN(CC(=O)NCc1cccc(C#N)c1)CC2 ZINC000584368014 567035946 /nfs/dbraw/zinc/03/59/46/567035946.db2.gz UBVKRAJPYHMFBI-UHFFFAOYSA-N 0 0 398.304 3.304 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000521031160 567035925 /nfs/dbraw/zinc/03/59/25/567035925.db2.gz SXKDPQQYKCBWDE-GUYCJALGSA-N 0 0 390.281 3.264 10 30 GGEERN C=C(C)C[C@H](C)C(=O)N1Cc2cccc(Br)c2C[C@@H]1C(=O)OC ZINC000452961346 567036814 /nfs/dbraw/zinc/03/68/14/567036814.db2.gz UHKYGQZNWJGHTA-BLLLJJGKSA-N 0 0 380.282 3.478 10 30 GGEERN C=CCn1c(SC[C@@H](OC)[C@H]2CCOC2)nc2cc(Cl)ccc2c1=O ZINC000657223281 567037722 /nfs/dbraw/zinc/03/77/22/567037722.db2.gz QDMURLDDMCNEBC-BLLLJJGKSA-N 0 0 380.897 3.380 10 30 GGEERN C=CCn1c(SC[C@@H](COC)OC)nc2sc3c(c2c1=O)CCCC3 ZINC000657229587 567038479 /nfs/dbraw/zinc/03/84/79/567038479.db2.gz KLRZOQKSCGTNAM-GFCCVEGCSA-N 0 0 380.535 3.276 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)CCCC1 ZINC000545357727 567043435 /nfs/dbraw/zinc/04/34/35/567043435.db2.gz AGFVUUUCQMHSDR-GFCCVEGCSA-N 0 0 375.277 3.430 10 30 GGEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(Cl)cc1I ZINC000472906950 567055841 /nfs/dbraw/zinc/05/58/41/567055841.db2.gz QZGRCVDVGAADBY-UHFFFAOYSA-N 0 0 385.592 3.407 10 30 GGEERN O=C(NCC(F)(F)CO)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000613570003 567046569 /nfs/dbraw/zinc/04/65/69/567046569.db2.gz GPCRCKSAAZQPTP-UHFFFAOYSA-N 0 0 383.210 3.333 10 30 GGEERN CCOc1c(Cl)cc(CNS(=O)(=O)CC2(C#N)CCCC2)cc1OC ZINC000545385728 567046850 /nfs/dbraw/zinc/04/68/50/567046850.db2.gz MMDBGGHGSRZCMB-UHFFFAOYSA-N 0 0 386.901 3.251 10 30 GGEERN C[C@H](c1ccccc1Cl)N1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 ZINC000584496980 567047189 /nfs/dbraw/zinc/04/71/89/567047189.db2.gz CQUNJKYFNLMGEJ-OAHLLOKOSA-N 0 0 381.929 3.042 10 30 GGEERN C=CCCCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000472727454 567047369 /nfs/dbraw/zinc/04/73/69/567047369.db2.gz ODUPMNASTNWYLQ-UHFFFAOYSA-N 0 0 395.175 3.369 10 30 GGEERN N#CC1(CS(=O)(=O)NCCCC(=O)Nc2ccc(Cl)cc2)CCCC1 ZINC000545387629 567047534 /nfs/dbraw/zinc/04/75/34/567047534.db2.gz NIBHGVXEUOFZQZ-UHFFFAOYSA-N 0 0 383.901 3.062 10 30 GGEERN COC(=O)c1ccc(N2CCc3cc(Br)cc(C)c3C2)c(C#N)n1 ZINC000565229965 567050205 /nfs/dbraw/zinc/05/02/05/567050205.db2.gz VFFMANDMSZSNFG-UHFFFAOYSA-N 0 0 386.249 3.374 10 30 GGEERN COC(=O)[C@@H](CF)NCc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000584534408 567050516 /nfs/dbraw/zinc/05/05/16/567050516.db2.gz OPZXXFDATYDANF-ZYHUDNBSSA-N 0 0 377.256 3.159 10 30 GGEERN C=CCSCCNC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 ZINC000495196328 567051579 /nfs/dbraw/zinc/05/15/79/567051579.db2.gz XRXBJEUQZRZKFZ-UHFFFAOYSA-N 0 0 382.555 3.340 10 30 GGEERN C[C@@H]1COCC[C@@H]1c1noc(COc2ccc(C#N)c(Br)c2)n1 ZINC000453175696 567059342 /nfs/dbraw/zinc/05/93/42/567059342.db2.gz PIMLUQDAWKIKKS-MFKMUULPSA-N 0 0 378.226 3.423 10 30 GGEERN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000431158812 567060573 /nfs/dbraw/zinc/06/05/73/567060573.db2.gz DTQGZWMJJKQVHE-GXTWGEPZSA-N 0 0 379.254 3.013 10 30 GGEERN C[C@@H](COc1ccccc1C(F)(F)F)NS(=O)(=O)CC1(C#N)CCC1 ZINC000565390633 567064163 /nfs/dbraw/zinc/06/41/63/567064163.db2.gz NJCOCQAFQCVQTC-LBPRGKRZSA-N 0 0 376.400 3.086 10 30 GGEERN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](CO)c1ccsc1 ZINC000473166629 567065107 /nfs/dbraw/zinc/06/51/07/567065107.db2.gz IJWAVQPLAKRIRL-XJKSGUPXSA-N 0 0 375.519 3.404 10 30 GGEERN C=CCCc1noc(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000453250583 567066633 /nfs/dbraw/zinc/06/66/33/567066633.db2.gz XYWVBLMPLOLXCQ-UHFFFAOYSA-N 0 0 381.885 3.410 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC000613866045 567067689 /nfs/dbraw/zinc/06/76/89/567067689.db2.gz KLMLMUGVWRLCQC-XHDPSFHLSA-N 0 0 383.286 3.106 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000613901229 567069211 /nfs/dbraw/zinc/06/92/11/567069211.db2.gz GZIXLRKOFVPZBR-GDBMZVCRSA-N 0 0 384.307 3.159 10 30 GGEERN N#CCCC[C@@H](NC(=O)NCCn1cc(Br)cn1)c1ccccc1 ZINC000431315599 567073331 /nfs/dbraw/zinc/07/33/31/567073331.db2.gz ZAPLJZMPUOBPFO-MRXNPFEDSA-N 0 0 390.285 3.380 10 30 GGEERN N#CCCC[C@H](NC(=O)NCCn1cc(Br)cn1)c1ccccc1 ZINC000431315598 567073339 /nfs/dbraw/zinc/07/33/39/567073339.db2.gz ZAPLJZMPUOBPFO-INIZCTEOSA-N 0 0 390.285 3.380 10 30 GGEERN COc1cc(C(=O)NCc2ccc(C#N)cc2F)cc(Br)c1OC ZINC000585698887 567078953 /nfs/dbraw/zinc/07/89/53/567078953.db2.gz ZZRYSVSJZCYFKZ-UHFFFAOYSA-N 0 0 393.212 3.407 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCc2ccccc2Br)ccc1Cl ZINC000521774674 567079041 /nfs/dbraw/zinc/07/90/41/567079041.db2.gz ZTTKUEIKGXBDSY-UHFFFAOYSA-N 0 0 385.670 3.453 10 30 GGEERN C=CCN(C(=O)C(=O)Nc1ccc(Br)c(OC(C)C)c1)C1CC1 ZINC000635133652 567081156 /nfs/dbraw/zinc/08/11/56/567081156.db2.gz GVYRIFDTKSVNRG-UHFFFAOYSA-N 0 0 381.270 3.352 10 30 GGEERN N#Cc1c(Br)cccc1OCC(=O)NC[C@@H]1CC12CCSCC2 ZINC000521857625 567082852 /nfs/dbraw/zinc/08/28/52/567082852.db2.gz BSZDJMNPVJIKOJ-LBPRGKRZSA-N 0 0 395.322 3.349 10 30 GGEERN CCOC(=O)c1sc(NC(=O)c2cnc(OC)c(Cl)c2)c(C#N)c1C ZINC000585734306 567084119 /nfs/dbraw/zinc/08/41/19/567084119.db2.gz MYSYKFIPUJNAAE-UHFFFAOYSA-N 0 0 379.825 3.414 10 30 GGEERN N#CC1(CS(=O)(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)CCC1 ZINC000565625268 567084818 /nfs/dbraw/zinc/08/48/18/567084818.db2.gz HBHKLAHBASACAS-UHFFFAOYSA-N 0 0 388.320 3.139 10 30 GGEERN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@]2(CCOC2)C1 ZINC000453426498 567086596 /nfs/dbraw/zinc/08/65/96/567086596.db2.gz RHKIRJUNSWCILI-QGZVFWFLSA-N 0 0 392.301 3.229 10 30 GGEERN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@]2(CCOC2)C1 ZINC000453426497 567087289 /nfs/dbraw/zinc/08/72/89/567087289.db2.gz RHKIRJUNSWCILI-KRWDZBQOSA-N 0 0 392.301 3.229 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000614150188 567090313 /nfs/dbraw/zinc/09/03/13/567090313.db2.gz JEGXOZZHNXGSHU-KBPBESRZSA-N 0 0 383.311 3.183 10 30 GGEERN N#Cc1ccc(Oc2ccc(C(=O)NCc3n[nH]cc3Br)cc2)nc1 ZINC000521993500 567091930 /nfs/dbraw/zinc/09/19/30/567091930.db2.gz ASGUZUHAHHJCFJ-UHFFFAOYSA-N 0 0 398.220 3.161 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000614245683 567096941 /nfs/dbraw/zinc/09/69/41/567096941.db2.gz RAEVBQCZFQYTLB-ZDUSSCGKSA-N 0 0 382.848 3.407 10 30 GGEERN COC(=O)c1csc(S(=O)(=O)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000431631607 567097397 /nfs/dbraw/zinc/09/73/97/567097397.db2.gz RYUINDFQCXOSPN-OAHLLOKOSA-N 0 0 378.475 3.248 10 30 GGEERN COC(=O)c1ccc(S(=O)(=O)N[C@H](CCCC#N)c2ccccc2)s1 ZINC000431642121 567098871 /nfs/dbraw/zinc/09/88/71/567098871.db2.gz ZOAJMSGBUHPXED-CQSZACIVSA-N 0 0 378.475 3.248 10 30 GGEERN CC[C@@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)c1ccc(Cl)s1 ZINC000586859843 567101793 /nfs/dbraw/zinc/10/17/93/567101793.db2.gz KRJCBVQXALPMEY-CYBMUJFWSA-N 0 0 379.844 3.296 10 30 GGEERN CCCCS[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000522204601 567105400 /nfs/dbraw/zinc/10/54/00/567105400.db2.gz DTLIWSCXXCIMRU-CZUORRHYSA-N 0 0 377.535 3.320 10 30 GGEERN Cc1cc(Br)cn2cc(CNC(=O)Cc3cccc(C#N)c3)nc12 ZINC000546112115 567105619 /nfs/dbraw/zinc/10/56/19/567105619.db2.gz OKIAJPXCUJJQQA-UHFFFAOYSA-N 0 0 383.249 3.136 10 30 GGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCc1ccc(OC)cc1Br ZINC000614373037 567106275 /nfs/dbraw/zinc/10/62/75/567106275.db2.gz OCXWKBWCUWPQPR-KDOFPFPSSA-N 0 0 382.298 3.488 10 30 GGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000614372275 567106309 /nfs/dbraw/zinc/10/63/09/567106309.db2.gz HRMSMFIRLYIJTK-IEAZIUSSSA-N 0 0 395.297 3.019 10 30 GGEERN CC1(C#N)CCN(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CC1 ZINC000453706253 567106604 /nfs/dbraw/zinc/10/66/04/567106604.db2.gz WNMPNRLBQJEYNS-UHFFFAOYSA-N 0 0 384.661 3.193 10 30 GGEERN CC(C)Cc1ncnc(NCC2CCC(C#N)CC2)c1I ZINC000588041306 567109504 /nfs/dbraw/zinc/10/95/04/567109504.db2.gz MJLQBIODBXGPJS-UHFFFAOYSA-N 0 0 398.292 3.443 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCc3cc(Br)c(Cl)cc32)o1 ZINC000588131849 567116017 /nfs/dbraw/zinc/11/60/17/567116017.db2.gz KMKUQMMODZJCDB-UHFFFAOYSA-N 0 0 387.642 3.319 10 30 GGEERN N#Cc1ccc(CNS(=O)(=O)c2cccnc2C(F)(F)F)cc1Cl ZINC000588132970 567116212 /nfs/dbraw/zinc/11/62/12/567116212.db2.gz DIJAGLSJHQOREX-UHFFFAOYSA-N 0 0 375.759 3.104 10 30 GGEERN Cc1ccc(F)c(Br)c1NC(=O)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000453859405 567120006 /nfs/dbraw/zinc/12/00/06/567120006.db2.gz RULPOIKYWZEOQC-QWRGUYRKSA-N 0 0 382.233 3.034 10 30 GGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000658141593 567123663 /nfs/dbraw/zinc/12/36/63/567123663.db2.gz SMKWAYDVEJBQKZ-PWSUYJOCSA-N 0 0 375.416 3.438 10 30 GGEERN N#Cc1cc(NC(=O)C(=O)NCC2CCCCCC2)ccc1Br ZINC000453895068 567123719 /nfs/dbraw/zinc/12/37/19/567123719.db2.gz FOBLYSNQQZGDLK-UHFFFAOYSA-N 0 0 378.270 3.346 10 30 GGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(Br)cnc1C ZINC000658136230 567124764 /nfs/dbraw/zinc/12/47/64/567124764.db2.gz CMBKYDLFAQBLFG-JSGCOSHPSA-N 0 0 380.286 3.342 10 30 GGEERN C=CCOc1c(Br)cc(CNc2cn(C)nc2OC)cc1OC ZINC000474012036 567124816 /nfs/dbraw/zinc/12/48/16/567124816.db2.gz QJYMHQWWNSSKPW-UHFFFAOYSA-N 0 0 382.258 3.377 10 30 GGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(Br)c(C)n1 ZINC000658135823 567125022 /nfs/dbraw/zinc/12/50/22/567125022.db2.gz BBTBFUXASUAUBS-GXTWGEPZSA-N 0 0 380.286 3.342 10 30 GGEERN N#Cc1c(F)cccc1C(=O)Nc1cc(I)ccc1O ZINC000614635157 567128150 /nfs/dbraw/zinc/12/81/50/567128150.db2.gz DHXYMRGYWYPDIE-UHFFFAOYSA-N 0 0 382.132 3.260 10 30 GGEERN C=CCCCCNC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000474055999 567129114 /nfs/dbraw/zinc/12/91/14/567129114.db2.gz PZXOGTUFYUJDDF-UHFFFAOYSA-N 0 0 378.274 3.390 10 30 GGEERN C=C(C)[C@@H](Cc1nc(Cc2cc(Br)cnc2OC)no1)OCC ZINC000546470779 567129785 /nfs/dbraw/zinc/12/97/85/567129785.db2.gz VMQHOJYZSCPAKL-CYBMUJFWSA-N 0 0 382.258 3.350 10 30 GGEERN C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1cscn1 ZINC000566164317 567131139 /nfs/dbraw/zinc/13/11/39/567131139.db2.gz RCRFJDSLGGPBQR-JTQLQIEISA-N 0 0 375.397 3.265 10 30 GGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cncc(Br)c1C ZINC000614722202 567135007 /nfs/dbraw/zinc/13/50/07/567135007.db2.gz PSIZINFDVNRYCA-UHFFFAOYSA-N 0 0 379.254 3.456 10 30 GGEERN C=CCCNC(=O)C(=O)Nc1cc(Cl)cc(Br)c1OCC ZINC000658386296 567139025 /nfs/dbraw/zinc/13/90/25/567139025.db2.gz ITVWSOVPSCVKAY-UHFFFAOYSA-N 0 0 375.650 3.132 10 30 GGEERN Cc1cc(NC(=O)c2cc(C)ccc2I)n(CCC#N)n1 ZINC000523024794 567141803 /nfs/dbraw/zinc/14/18/03/567141803.db2.gz FXPADKNEHWCNEI-UHFFFAOYSA-N 0 0 394.216 3.271 10 30 GGEERN COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000432288810 567145829 /nfs/dbraw/zinc/14/58/29/567145829.db2.gz IGWUASBSVXOUHN-OAHLLOKOSA-N 0 0 376.865 3.398 10 30 GGEERN CC(C)C[C@@H](C#N)NS(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000588943151 567146087 /nfs/dbraw/zinc/14/60/87/567146087.db2.gz ZVMWGZMVHJVHOQ-ZDUSSCGKSA-N 0 0 382.283 3.214 10 30 GGEERN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000566313629 567149210 /nfs/dbraw/zinc/14/92/10/567149210.db2.gz KOSPGBFDZWFXER-DIFFPNOSSA-N 0 0 398.260 3.309 10 30 GGEERN COC(=O)c1ccc(C(=O)Nc2ccc(C#N)c(Br)c2)cc1F ZINC000589010326 567150030 /nfs/dbraw/zinc/15/00/30/567150030.db2.gz LDXKTTUBCPUOSO-UHFFFAOYSA-N 0 0 377.169 3.499 10 30 GGEERN C=CC[C@@H](CC)NS(=O)(=O)c1cc(Br)ccc1OCCOC ZINC000546766111 567156260 /nfs/dbraw/zinc/15/62/60/567156260.db2.gz QHMAALWUYPJRBG-CYBMUJFWSA-N 0 0 392.315 3.107 10 30 GGEERN N#Cc1cc(F)c(N[C@H]2CCCN(c3ncccn3)C2)cc1Br ZINC000589108252 567157167 /nfs/dbraw/zinc/15/71/67/567157167.db2.gz TWTHDPRKVFZBBP-LBPRGKRZSA-N 0 0 376.233 3.331 10 30 GGEERN N#CCCN(C(=O)c1ncsc1Br)c1ccc2c(c1)OCCO2 ZINC000566436752 567159601 /nfs/dbraw/zinc/15/96/01/567159601.db2.gz FEWSBNGLBARYLA-UHFFFAOYSA-N 0 0 394.250 3.237 10 30 GGEERN N#Cc1cscc1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000498216426 567159729 /nfs/dbraw/zinc/15/97/29/567159729.db2.gz NACVYPSXMBWUKK-CQSZACIVSA-N 0 0 380.256 3.462 10 30 GGEERN COCCOc1ccc(Br)cc1NC(=O)NCC1(CC#N)CC1 ZINC000432422699 567159950 /nfs/dbraw/zinc/15/99/50/567159950.db2.gz VDCPJSAEQBKFOH-UHFFFAOYSA-N 0 0 382.258 3.290 10 30 GGEERN N#CCCCCNC(=O)NCc1ccc(I)cc1Cl ZINC000474334304 567160680 /nfs/dbraw/zinc/16/06/80/567160680.db2.gz YGBFUKLZORVXSW-UHFFFAOYSA-N 0 0 391.640 3.438 10 30 GGEERN N#C[C@H](NC(=O)CCCc1nc(C2CC2)no1)c1ccc(Br)cc1 ZINC000523528906 567161113 /nfs/dbraw/zinc/16/11/13/567161113.db2.gz WAFDLAZARWJKHN-AWEZNQCLSA-N 0 0 389.253 3.413 10 30 GGEERN N#C[C@@H](NC(=O)CCCc1nc(C2CC2)no1)c1ccc(Br)cc1 ZINC000523528907 567161128 /nfs/dbraw/zinc/16/11/28/567161128.db2.gz WAFDLAZARWJKHN-CQSZACIVSA-N 0 0 389.253 3.413 10 30 GGEERN C=CCC1(C(=O)N2CC[C@@H](Oc3cncc(Br)c3)C2)CCOCC1 ZINC000615130022 567164032 /nfs/dbraw/zinc/16/40/32/567164032.db2.gz WZTHVBTWEHOTMJ-OAHLLOKOSA-N 0 0 395.297 3.197 10 30 GGEERN C[C@@H](C#N)CN(C(=O)c1ncc(Br)cc1Br)C1CC1 ZINC000546836703 567164192 /nfs/dbraw/zinc/16/41/92/567164192.db2.gz TVJFVDYPPORZMB-QMMMGPOBSA-N 0 0 387.075 3.371 10 30 GGEERN COc1ccc(Cl)cc1CN1CCN(C(=O)c2cscc2C#N)CC1 ZINC000432493690 567164447 /nfs/dbraw/zinc/16/44/47/567164447.db2.gz XRMDHSOPIYOQCO-UHFFFAOYSA-N 0 0 375.881 3.240 10 30 GGEERN N#C[C@H](NC(=O)c1ccc(I)c(O)c1)c1ccc(F)cc1 ZINC000546877151 567165924 /nfs/dbraw/zinc/16/59/24/567165924.db2.gz PBIZDWASXFZRLP-ZDUSSCGKSA-N 0 0 396.159 3.131 10 30 GGEERN N#Cc1ccc(CNC(=O)CSCc2ncc(Br)s2)cc1 ZINC000432509112 567166143 /nfs/dbraw/zinc/16/61/43/567166143.db2.gz IZLDVSKDIIFSPU-UHFFFAOYSA-N 0 0 382.308 3.327 10 30 GGEERN N#CC1(CS(=O)(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CCC1 ZINC000589218935 567166600 /nfs/dbraw/zinc/16/66/00/567166600.db2.gz MJCPPQLTVWQLCJ-NXEZZACHSA-N 0 0 378.338 3.073 10 30 GGEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000636829227 567167585 /nfs/dbraw/zinc/16/75/85/567167585.db2.gz JCNSFSAQEYORIL-JTQLQIEISA-N 0 0 377.432 3.448 10 30 GGEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](C)c1ccc(Br)cn1 ZINC000636804943 567167866 /nfs/dbraw/zinc/16/78/66/567167866.db2.gz AJHYTVNQPYOHQR-GFCCVEGCSA-N 0 0 382.302 3.130 10 30 GGEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@@H](C)c1ccc(Br)cn1 ZINC000636804944 567167902 /nfs/dbraw/zinc/16/79/02/567167902.db2.gz AJHYTVNQPYOHQR-LBPRGKRZSA-N 0 0 382.302 3.130 10 30 GGEERN N#CC1(CS(=O)(=O)N2CCc3cc(Br)c(Cl)cc32)CCC1 ZINC000589229836 567168523 /nfs/dbraw/zinc/16/85/23/567168523.db2.gz IKTMYDIBKTZLTM-UHFFFAOYSA-N 0 0 389.702 3.489 10 30 GGEERN N#CC1(CS(=O)(=O)NCc2cc3cccnc3cc2Br)CCC1 ZINC000589225664 567168741 /nfs/dbraw/zinc/16/87/41/567168741.db2.gz XQBCELZTXTUVCF-UHFFFAOYSA-N 0 0 394.294 3.111 10 30 GGEERN N#Cc1cscc1C(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000432552709 567168976 /nfs/dbraw/zinc/16/89/76/567168976.db2.gz MXNLWYJLZLJARX-UHFFFAOYSA-N 0 0 385.758 3.265 10 30 GGEERN CN(C)c1cc(C#N)cc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)c1 ZINC000432590141 567170223 /nfs/dbraw/zinc/17/02/23/567170223.db2.gz YFTSMZCEGSUHLO-QGZVFWFLSA-N 0 0 383.249 3.381 10 30 GGEERN C=CCOc1c(Br)cc(CNCc2ccn(C)n2)cc1OCC ZINC000498354035 567170529 /nfs/dbraw/zinc/17/05/29/567170529.db2.gz OJYMWZUQNOSWJS-UHFFFAOYSA-N 0 0 380.286 3.436 10 30 GGEERN N#C[C@@H](NC(=O)c1cccc(C(=O)NC2CC2)c1)c1ccccc1Br ZINC000615243229 567170904 /nfs/dbraw/zinc/17/09/04/567170904.db2.gz FQERVVIRUAWTCE-QGZVFWFLSA-N 0 0 398.260 3.336 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000615289057 567176534 /nfs/dbraw/zinc/17/65/34/567176534.db2.gz DQVOJTBYNJGSAY-AEFFLSMTSA-N 0 0 393.325 3.311 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000615289058 567176931 /nfs/dbraw/zinc/17/69/31/567176931.db2.gz DQVOJTBYNJGSAY-FUHWJXTLSA-N 0 0 393.325 3.311 10 30 GGEERN C[C@H](NS(=O)(=O)c1cc2c(cc1Cl)OCCO2)c1ccc(C#N)cc1 ZINC000524016031 567180011 /nfs/dbraw/zinc/18/00/11/567180011.db2.gz BNYAXYNOUNIXIV-NSHDSACASA-N 0 0 378.837 3.022 10 30 GGEERN COc1cc(CNC(=O)c2cnc3ncc(Br)cc3c2)ccc1C#N ZINC000589473407 567179930 /nfs/dbraw/zinc/17/99/30/567179930.db2.gz SYVBTNSAWDFMBV-UHFFFAOYSA-N 0 0 397.232 3.203 10 30 GGEERN N#C[C@H](NC(=O)c1cc(-n2cccn2)ccn1)c1ccc(Br)cc1 ZINC000524049600 567180957 /nfs/dbraw/zinc/18/09/57/567180957.db2.gz QFQKOIXRFFXZSN-INIZCTEOSA-N 0 0 382.221 3.024 10 30 GGEERN COc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000432766632 567186249 /nfs/dbraw/zinc/18/62/49/567186249.db2.gz DIOPMDNHOJRGGW-VIFPVBQESA-N 0 0 376.214 3.002 10 30 GGEERN N#CCCCNC(=O)NCc1ccc(I)cc1Cl ZINC000474643589 567186248 /nfs/dbraw/zinc/18/62/48/567186248.db2.gz HJRBDAPVCFGHLR-UHFFFAOYSA-N 0 0 377.613 3.048 10 30 GGEERN N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCO3)cc1Br ZINC000432757661 567187469 /nfs/dbraw/zinc/18/74/69/567187469.db2.gz BRBVOPSEULRUKK-UHFFFAOYSA-N 0 0 393.262 3.447 10 30 GGEERN CC#CCCNC(=O)NCc1ccc(I)cc1Cl ZINC000474660120 567188193 /nfs/dbraw/zinc/18/81/93/567188193.db2.gz RBSUSHFMFVOCRX-UHFFFAOYSA-N 0 0 376.625 3.157 10 30 GGEERN COc1ccc(F)c(NS(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000432771379 567188162 /nfs/dbraw/zinc/18/81/62/567188162.db2.gz KPDOUKSKPDHVMY-UHFFFAOYSA-N 0 0 385.214 3.269 10 30 GGEERN COc1c(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000474699539 567192310 /nfs/dbraw/zinc/19/23/10/567192310.db2.gz UOCRFMMANFMBMW-ZDUSSCGKSA-N 0 0 390.193 3.361 10 30 GGEERN COc1c(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000474699538 567192527 /nfs/dbraw/zinc/19/25/27/567192527.db2.gz UOCRFMMANFMBMW-CYBMUJFWSA-N 0 0 390.193 3.361 10 30 GGEERN C=CCN(Cc1cc(Br)ccc1F)C(=O)C(C)(C)n1cc(N)cn1 ZINC000659253014 567194097 /nfs/dbraw/zinc/19/40/97/567194097.db2.gz MNXSWQUENKEQBF-UHFFFAOYSA-N 0 0 395.276 3.317 10 30 GGEERN N#C[C@@H]1CN(C(=O)c2cc(Oc3cccc(Br)c3)ccn2)CCO1 ZINC000474705999 567194329 /nfs/dbraw/zinc/19/43/29/567194329.db2.gz GMZHSIZLRLXDCJ-OAHLLOKOSA-N 0 0 388.221 3.001 10 30 GGEERN C[C@H](CNS(=O)(=O)Cc1ccc(CC#N)cc1)Oc1ccc(Cl)cc1 ZINC000566852464 567196468 /nfs/dbraw/zinc/19/64/68/567196468.db2.gz GUAVWJRHEYYCKM-CQSZACIVSA-N 0 0 378.881 3.293 10 30 GGEERN C[C@@H](CNS(=O)(=O)Cc1ccc(CC#N)cc1)Oc1ccc(Cl)cc1 ZINC000566852463 567196535 /nfs/dbraw/zinc/19/65/35/567196535.db2.gz GUAVWJRHEYYCKM-AWEZNQCLSA-N 0 0 378.881 3.293 10 30 GGEERN Cc1ncc(S(=O)(=O)N[C@H](C)c2ccc(F)c(Br)c2)cc1C#N ZINC000589892722 567197873 /nfs/dbraw/zinc/19/78/73/567197873.db2.gz AZIGFLSYXUNDFE-SNVBAGLBSA-N 0 0 398.257 3.203 10 30 GGEERN Cc1cc(C(=O)N2CC[C@@](F)(C#N)C2)nn1-c1ccc(Br)cc1 ZINC000615663303 567198439 /nfs/dbraw/zinc/19/84/39/567198439.db2.gz DCBDNHKKKHAURU-MRXNPFEDSA-N 0 0 377.217 3.021 10 30 GGEERN CN(CCc1ccc(F)cc1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432853559 567198517 /nfs/dbraw/zinc/19/85/17/567198517.db2.gz KETXUPPDTLOCDH-UHFFFAOYSA-N 0 0 397.269 3.323 10 30 GGEERN N#C[C@@H](NC(=O)c1cnn(CC(F)(F)F)c1)c1ccc(Br)cc1 ZINC000615682242 567199873 /nfs/dbraw/zinc/19/98/73/567199873.db2.gz IEIVOQRBSZSQBR-GFCCVEGCSA-N 0 0 387.159 3.203 10 30 GGEERN C=CCn1c(SCC(=O)N2CC(C)(F)C2)nnc1-c1ccc(Cl)cc1 ZINC000684328771 567201339 /nfs/dbraw/zinc/20/13/39/567201339.db2.gz JZPGJZHDFIEQPA-UHFFFAOYSA-N 0 0 380.876 3.447 10 30 GGEERN N#Cc1ccc(NC(=O)C(=O)NC/C=C\c2ccccc2)cc1Br ZINC000498804360 567202642 /nfs/dbraw/zinc/20/26/42/567202642.db2.gz MFZJNQOOTXZBGA-DAXSKMNVSA-N 0 0 384.233 3.089 10 30 GGEERN N#Cc1ccc(NC(=O)C(=O)NC/C=C/c2ccccc2)cc1Br ZINC000498804361 567202829 /nfs/dbraw/zinc/20/28/29/567202829.db2.gz MFZJNQOOTXZBGA-QPJJXVBHSA-N 0 0 384.233 3.089 10 30 GGEERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000498796065 567203106 /nfs/dbraw/zinc/20/31/06/567203106.db2.gz SCPIUFCQXDPNJP-PIGZYNQJSA-N 0 0 398.260 3.309 10 30 GGEERN Cc1nc(CNS(=O)(=O)CC2(C#N)CCC2)oc1-c1ccc(Cl)cc1 ZINC000566942864 567204001 /nfs/dbraw/zinc/20/40/01/567204001.db2.gz REGKZMMULUJSPD-UHFFFAOYSA-N 0 0 379.869 3.417 10 30 GGEERN N#Cc1cc(CS(=O)(=O)Cc2ccc(Br)c(Cl)c2)ccn1 ZINC000615778122 567205827 /nfs/dbraw/zinc/20/58/27/567205827.db2.gz UCQIVNVLKKOGCK-UHFFFAOYSA-N 0 0 385.670 3.484 10 30 GGEERN C[C@@H](NC(=O)N[C@@H]1CCc2cc(C#N)ccc21)c1ncc(Br)cn1 ZINC000590099573 567207325 /nfs/dbraw/zinc/20/73/25/567207325.db2.gz LCZQHIBICYMCRT-MEBBXXQBSA-N 0 0 386.253 3.158 10 30 GGEERN C[C@](C#N)(NC(=O)CN1CCc2cc(Br)c(Cl)cc21)C1CC1 ZINC000615808742 567207913 /nfs/dbraw/zinc/20/79/13/567207913.db2.gz NTLUMAAEKCTCTH-MRXNPFEDSA-N 0 0 382.689 3.273 10 30 GGEERN C[C@@H](NC(=O)NCc1ccc(C#N)c(Cl)c1)c1ncc(Br)cn1 ZINC000590076211 567208314 /nfs/dbraw/zinc/20/83/14/567208314.db2.gz FIMOILIJJQPLDG-SECBINFHSA-N 0 0 394.660 3.325 10 30 GGEERN N#Cc1cc(S(=O)(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)ccc1F ZINC000432949924 567208398 /nfs/dbraw/zinc/20/83/98/567208398.db2.gz PAMDCURVHQIXPO-AWEZNQCLSA-N 0 0 376.306 3.260 10 30 GGEERN N#CC1CN(C(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)C1 ZINC000590110798 567209250 /nfs/dbraw/zinc/20/92/50/567209250.db2.gz LEWMDPJZEKEBOH-UHFFFAOYSA-N 0 0 377.231 3.191 10 30 GGEERN C[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1ncc(Br)cn1 ZINC000432977564 567211558 /nfs/dbraw/zinc/21/15/58/567211558.db2.gz DJRKXXGGPXZQMZ-JTQLQIEISA-N 0 0 385.225 3.012 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCc2c1ccc(F)c2Br ZINC000615871690 567213108 /nfs/dbraw/zinc/21/31/08/567213108.db2.gz NNVZCQKAYNDPSO-HUUCEWRRSA-N 0 0 383.261 3.163 10 30 GGEERN N#CC1(CC(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)CC1 ZINC000590201755 567213918 /nfs/dbraw/zinc/21/39/18/567213918.db2.gz YOYYFAJNEHTXPJ-UHFFFAOYSA-N 0 0 390.281 3.320 10 30 GGEERN C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CC2(C#N)CC2)CC1 ZINC000590277984 567217641 /nfs/dbraw/zinc/21/76/41/567217641.db2.gz XVVITNQEHDBVDX-CQSZACIVSA-N 0 0 376.298 3.348 10 30 GGEERN N#CC1(Cc2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)CC1 ZINC000590267519 567217702 /nfs/dbraw/zinc/21/77/02/567217702.db2.gz LFPREKPPVBBHRV-UHFFFAOYSA-N 0 0 376.210 3.040 10 30 GGEERN CCOC(=O)C[C@@H](NC(=O)CC1(C#N)CC1)c1cccc(Br)c1 ZINC000590326295 567220773 /nfs/dbraw/zinc/22/07/73/567220773.db2.gz FMMBHDJCPFUWPS-CQSZACIVSA-N 0 0 379.254 3.253 10 30 GGEERN C[C@H](CCc1ccc(I)cc1)NC(=O)CC1(C#N)CC1 ZINC000590357242 567220851 /nfs/dbraw/zinc/22/08/51/567220851.db2.gz XNTVWJBQXKTZBK-GFCCVEGCSA-N 0 0 382.245 3.422 10 30 GGEERN C=CCc1ccc(OCC(=O)Nc2n[nH]c(C)c2Br)c(OC)c1 ZINC000616012488 567220910 /nfs/dbraw/zinc/22/09/10/567220910.db2.gz LTAAQILNQZXPPI-UHFFFAOYSA-N 0 0 380.242 3.235 10 30 GGEERN CC(C)(C)OC(=O)CSCC(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000524956491 567222748 /nfs/dbraw/zinc/22/27/48/567222748.db2.gz IMHGDYJLBKDXDM-CYBMUJFWSA-N 0 0 399.310 3.205 10 30 GGEERN C[C@H](NC(=O)CC1(C#N)CC1)c1ccc(Br)cc1OCCCO ZINC000590404129 567224430 /nfs/dbraw/zinc/22/44/30/567224430.db2.gz VORXHBZYWMDXGW-LBPRGKRZSA-N 0 0 381.270 3.081 10 30 GGEERN C=CC[C@H](CO)NC(=O)NCC1(c2ccc(Br)cc2Cl)CC1 ZINC000455057706 567228997 /nfs/dbraw/zinc/22/89/97/567228997.db2.gz RKZYMDLOHQFCSD-GFCCVEGCSA-N 0 0 387.705 3.370 10 30 GGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000455080922 567232907 /nfs/dbraw/zinc/23/29/07/567232907.db2.gz VXEBOAZEVMQBLP-KGLIPLIRSA-N 0 0 383.242 3.091 10 30 GGEERN C[C@@H](NC(=O)c1c(F)c(F)c(Br)c(F)c1F)[C@H](O)C(F)(F)F ZINC000616248071 567234475 /nfs/dbraw/zinc/23/44/75/567234475.db2.gz HEWQKAGIMMZKRH-BUWDMPIASA-N 0 0 398.072 3.047 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)N2CCc3cccc(Br)c3C2)cc1 ZINC000567306072 567234808 /nfs/dbraw/zinc/23/48/08/567234808.db2.gz KBQMYOWQZJOONC-UHFFFAOYSA-N 0 0 391.290 3.209 10 30 GGEERN N#CCN1CCC(NC(=O)c2ccc3scc(Br)c3c2)CC1 ZINC000590633761 567236793 /nfs/dbraw/zinc/23/67/93/567236793.db2.gz OWZXWCKLVXKLNF-UHFFFAOYSA-N 0 0 378.295 3.382 10 30 GGEERN N#Cc1ccc(OCC(=O)N2CC(CC(F)(F)F)C2)cc1Br ZINC000590677159 567237886 /nfs/dbraw/zinc/23/78/86/567237886.db2.gz XNHPLENILRSMHA-UHFFFAOYSA-N 0 0 377.160 3.110 10 30 GGEERN C=CCN(Cc1cc(Br)ccc1F)C(=O)NCc1ccn(C)n1 ZINC000499336240 567239351 /nfs/dbraw/zinc/23/93/51/567239351.db2.gz RNUGRZPFTKLZDB-UHFFFAOYSA-N 0 0 381.249 3.220 10 30 GGEERN COC(=O)c1ccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)s1 ZINC000499382286 567242785 /nfs/dbraw/zinc/24/27/85/567242785.db2.gz LJADEBONTCUFSL-LLVKDONJSA-N 0 0 379.235 3.292 10 30 GGEERN COC(=O)c1ccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)s1 ZINC000499382287 567242904 /nfs/dbraw/zinc/24/29/04/567242904.db2.gz LJADEBONTCUFSL-NSHDSACASA-N 0 0 379.235 3.292 10 30 GGEERN N#C[C@H](NC(=O)CSCc1ccccn1)c1ccc(Br)cc1 ZINC000499391458 567243415 /nfs/dbraw/zinc/24/34/15/567243415.db2.gz WWJYWGLKSYPCCR-HNNXBMFYSA-N 0 0 376.279 3.458 10 30 GGEERN N#C[C@@H](NC(=O)CSCc1ccccn1)c1ccc(Br)cc1 ZINC000499391459 567243943 /nfs/dbraw/zinc/24/39/43/567243943.db2.gz WWJYWGLKSYPCCR-OAHLLOKOSA-N 0 0 376.279 3.458 10 30 GGEERN N#C[C@@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc(Br)cc1 ZINC000499395868 567244117 /nfs/dbraw/zinc/24/41/17/567244117.db2.gz YUHRIEVDBXEXDQ-MRXNPFEDSA-N 0 0 384.233 3.328 10 30 GGEERN COc1ccccc1OCC(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000499392465 567244255 /nfs/dbraw/zinc/24/42/55/567244255.db2.gz PGKQMWNRVRHHKW-CQSZACIVSA-N 0 0 375.222 3.218 10 30 GGEERN COCCOc1cccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c1 ZINC000499403518 567244360 /nfs/dbraw/zinc/24/43/60/567244360.db2.gz DSHLUNTWVFDLKP-KRWDZBQOSA-N 0 0 389.249 3.469 10 30 GGEERN N#CC1(CS(=O)(=O)N2CC[C@H](c3cccc(Br)c3)C2)CCC1 ZINC000590762131 567244486 /nfs/dbraw/zinc/24/44/86/567244486.db2.gz FAUWZNGKDQBEGZ-AWEZNQCLSA-N 0 0 383.311 3.262 10 30 GGEERN N#Cc1cccc(CC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC000567416680 567244666 /nfs/dbraw/zinc/24/46/66/567244666.db2.gz TWSLEXXHBQJBSK-KRWDZBQOSA-N 0 0 384.277 3.258 10 30 GGEERN N#C[C@H](NC(=O)c1cc(-c2ccncc2)on1)c1ccc(Br)cc1 ZINC000499409129 567244944 /nfs/dbraw/zinc/24/49/44/567244944.db2.gz SSVSNQTXIWUWJJ-HNNXBMFYSA-N 0 0 383.205 3.494 10 30 GGEERN CC(=O)Nc1ccc(CC(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc1 ZINC000499404046 567245104 /nfs/dbraw/zinc/24/51/04/567245104.db2.gz IKTSQMXGHWXQPD-KRWDZBQOSA-N 0 0 386.249 3.331 10 30 GGEERN N#C[C@@H](NC(=O)CNC(=O)CC1CCCCC1)c1ccc(Br)cc1 ZINC000499406360 567245201 /nfs/dbraw/zinc/24/52/01/567245201.db2.gz LHKWSOLAOVZNFD-MRXNPFEDSA-N 0 0 392.297 3.217 10 30 GGEERN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000499406786 567245785 /nfs/dbraw/zinc/24/57/85/567245785.db2.gz 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567248073 /nfs/dbraw/zinc/24/80/73/567248073.db2.gz RGBNTVNYXAWUHU-OAHLLOKOSA-N 0 0 376.279 3.458 10 30 GGEERN N#CC1(CS(=O)(=O)NCc2cc3cc(Br)ccc3[nH]2)CCC1 ZINC000567459153 567248320 /nfs/dbraw/zinc/24/83/20/567248320.db2.gz KJLRNOCHBWPMJL-UHFFFAOYSA-N 0 0 382.283 3.044 10 30 GGEERN N#C[C@H](NC(=O)c1ccc(-n2cnnc2)cc1)c1ccc(Br)cc1 ZINC000499436219 567248276 /nfs/dbraw/zinc/24/82/76/567248276.db2.gz KZVHGSMQKUTIOY-INIZCTEOSA-N 0 0 382.221 3.024 10 30 GGEERN Cc1c(C(=O)N[C@H](C#N)c2ccc(Br)cc2)nnn1-c1ccccc1 ZINC000499439311 567248496 /nfs/dbraw/zinc/24/84/96/567248496.db2.gz VWZLNLUOSCRAEG-MRXNPFEDSA-N 0 0 396.248 3.333 10 30 GGEERN N#C[C@@H](NC(=O)c1ccc(-n2cnnc2)cc1)c1ccc(Br)cc1 ZINC000499436220 567248755 /nfs/dbraw/zinc/24/87/55/567248755.db2.gz KZVHGSMQKUTIOY-MRXNPFEDSA-N 0 0 382.221 3.024 10 30 GGEERN O=C(N[C@@H](CO)CCF)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000616558219 567250108 /nfs/dbraw/zinc/25/01/08/567250108.db2.gz JCFIQDGNWLWVTF-SNVBAGLBSA-N 0 0 379.247 3.426 10 30 GGEERN C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1ccc(Br)cc1C#N ZINC000590993027 567259240 /nfs/dbraw/zinc/25/92/40/567259240.db2.gz KIQDTTNDWHISQF-QPUJVOFHSA-N 0 0 377.160 3.113 10 30 GGEERN N#CC1(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000590974731 567259377 /nfs/dbraw/zinc/25/93/77/567259377.db2.gz JNZPNTQDDNLEGT-UHFFFAOYSA-N 0 0 381.885 3.147 10 30 GGEERN C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1ccc(Br)cc1C#N ZINC000590993025 567259904 /nfs/dbraw/zinc/25/99/04/567259904.db2.gz KIQDTTNDWHISQF-PELKAZGASA-N 0 0 377.160 3.113 10 30 GGEERN COC(=O)[C@@H](C)N(C(=O)CC1(C#N)CC1)c1ccc(Br)cc1C ZINC000590991748 567260016 /nfs/dbraw/zinc/26/00/16/567260016.db2.gz NBNQSLJTFPUQHJ-GFCCVEGCSA-N 0 0 379.254 3.346 10 30 GGEERN N#C[C@H](c1ccc(F)cc1)N1CCN(Cc2ccc(Br)cn2)CC1 ZINC000591025967 567260773 /nfs/dbraw/zinc/26/07/73/567260773.db2.gz NSRNCUVGDYSTJI-GOSISDBHSA-N 0 0 389.272 3.366 10 30 GGEERN Cc1cc(Br)cn2cc(CNC(=O)c3cscc3C#N)nc12 ZINC000499640511 567261863 /nfs/dbraw/zinc/26/18/63/567261863.db2.gz 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ZINC000455399318 567270776 /nfs/dbraw/zinc/27/07/76/567270776.db2.gz FIKCHHOLBBKWBW-OLZOCXBDSA-N 0 0 389.315 3.012 10 30 GGEERN Cc1nccc(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)c1Br ZINC000525851014 567271125 /nfs/dbraw/zinc/27/11/25/567271125.db2.gz QNHYVZHPUBLLCZ-KRWDZBQOSA-N 0 0 388.265 3.488 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@@H]2CCOc3c(Br)cccc32)CCCC1 ZINC000499761421 567272204 /nfs/dbraw/zinc/27/22/04/567272204.db2.gz YEEFSJXDSXTIKI-CQSZACIVSA-N 0 0 399.310 3.276 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@H]2CCOc3c(Br)cccc32)CCCC1 ZINC000499761420 567272504 /nfs/dbraw/zinc/27/25/04/567272504.db2.gz YEEFSJXDSXTIKI-AWEZNQCLSA-N 0 0 399.310 3.276 10 30 GGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)c1ccc(Br)s1 ZINC000617043028 567277641 /nfs/dbraw/zinc/27/76/41/567277641.db2.gz YRBGIIKPPPEJQI-VXGBXAGGSA-N 0 0 385.327 3.492 10 30 GGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CN(C)C(=O)c1ccc(Br)o1 ZINC000617038478 567277980 /nfs/dbraw/zinc/27/79/80/567277980.db2.gz XPXUQIZUEKCITR-OLZOCXBDSA-N 0 0 383.286 3.365 10 30 GGEERN N#C[C@@H](NC(=O)Cc1ccccc1I)c1ccc(F)cc1 ZINC000433855561 567278680 /nfs/dbraw/zinc/27/86/80/567278680.db2.gz CPGBUBRXMMLXDS-OAHLLOKOSA-N 0 0 394.187 3.354 10 30 GGEERN N#C[C@H](NC(=O)Cc1ccccc1I)c1ccc(F)cc1 ZINC000433855560 567278619 /nfs/dbraw/zinc/27/86/19/567278619.db2.gz CPGBUBRXMMLXDS-HNNXBMFYSA-N 0 0 394.187 3.354 10 30 GGEERN CN(c1ccc(Br)cc1F)S(=O)(=O)c1ccccc1CC#N ZINC000475814260 567279149 /nfs/dbraw/zinc/27/91/49/567279149.db2.gz VOZJXUBXKAFDGH-UHFFFAOYSA-N 0 0 383.242 3.479 10 30 GGEERN N#C[C@@H]1CN(C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)CCO1 ZINC000526065453 567287761 /nfs/dbraw/zinc/28/77/61/567287761.db2.gz IXKUQHQWOJDNJP-SECBINFHSA-N 0 0 378.148 3.224 10 30 GGEERN N#C[C@H]1CN(C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)CCO1 ZINC000526065454 567287972 /nfs/dbraw/zinc/28/79/72/567287972.db2.gz IXKUQHQWOJDNJP-VIFPVBQESA-N 0 0 378.148 3.224 10 30 GGEERN N#CCCCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000526070820 567289812 /nfs/dbraw/zinc/28/98/12/567289812.db2.gz XKTODQXXMDRBEZ-UHFFFAOYSA-N 0 0 392.175 3.216 10 30 GGEERN COCCN(CCC#N)c1nnc([C@@H]2CCCS2)n1Cc1cccs1 ZINC000591665782 567290144 /nfs/dbraw/zinc/29/01/44/567290144.db2.gz BJOCGCNZKWOUJJ-HNNXBMFYSA-N 0 0 377.539 3.322 10 30 GGEERN C=CCN1CC[C@@H](N(C)Cc2cc(Br)ccc2OCCC)C1=O ZINC000500004358 567290619 /nfs/dbraw/zinc/29/06/19/567290619.db2.gz YMTKTPAHXXFMFD-MRXNPFEDSA-N 0 0 381.314 3.457 10 30 GGEERN C=CCOCCCNC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000660366583 567290858 /nfs/dbraw/zinc/29/08/58/567290858.db2.gz FJCWXWODQNOOAN-GFCCVEGCSA-N 0 0 399.285 3.173 10 30 GGEERN COCCN(CCC#N)c1nnc([C@H]2CCCS2)n1Cc1cccs1 ZINC000591665784 567290920 /nfs/dbraw/zinc/29/09/20/567290920.db2.gz BJOCGCNZKWOUJJ-OAHLLOKOSA-N 0 0 377.539 3.322 10 30 GGEERN CNC(=O)c1cccc(COc2ccc(C#N)cc2I)c1 ZINC000500040689 567293220 /nfs/dbraw/zinc/29/32/20/567293220.db2.gz GTNAJCOMRDOFMH-UHFFFAOYSA-N 0 0 392.196 3.101 10 30 GGEERN C=CCOCCCNC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000660439983 567295799 /nfs/dbraw/zinc/29/57/99/567295799.db2.gz 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ZINC000592039240 567309847 /nfs/dbraw/zinc/30/98/47/567309847.db2.gz VCVQHOJDWVZSOO-LLVKDONJSA-N 0 0 396.310 3.254 10 30 GGEERN CC(C)N(CCC#N)S(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000592029170 567309907 /nfs/dbraw/zinc/30/99/07/567309907.db2.gz YAOMBFFDMFIQKP-UHFFFAOYSA-N 0 0 384.299 3.254 10 30 GGEERN C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000527061905 567309873 /nfs/dbraw/zinc/30/98/73/567309873.db2.gz UVNZJCABEJNGFM-QMMMGPOBSA-N 0 0 379.176 3.487 10 30 GGEERN COc1ccc(Br)cc1C1(NC(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000592033603 567310071 /nfs/dbraw/zinc/31/00/71/567310071.db2.gz CKMQDOUISDONER-WCQYABFASA-N 0 0 378.270 3.438 10 30 GGEERN COc1ncc(S(=O)(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1Cl ZINC000592020723 567310198 /nfs/dbraw/zinc/31/01/98/567310198.db2.gz WMRLQIKOZAYMGC-UHFFFAOYSA-N 0 0 379.869 3.215 10 30 GGEERN CO[C@@H](CNS(=O)(=O)Cc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000592035581 567310204 /nfs/dbraw/zinc/31/02/04/567310204.db2.gz FKJJSOZWTGYCCN-SFHVURJKSA-N 0 0 378.881 3.213 10 30 GGEERN C=CCSc1ccccc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 ZINC000617453786 567310440 /nfs/dbraw/zinc/31/04/40/567310440.db2.gz IIBBFUYNGXYIQE-TZMCWYRMSA-N 0 0 393.452 3.012 10 30 GGEERN Cc1c(Br)scc1C(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000476293775 567312072 /nfs/dbraw/zinc/31/20/72/567312072.db2.gz PQQOOODURQUFES-UHFFFAOYSA-N 0 0 391.294 3.048 10 30 GGEERN N#Cc1cnccc1CN1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000592073055 567312484 /nfs/dbraw/zinc/31/24/84/567312484.db2.gz CQTMXWSBPKKSGR-UHFFFAOYSA-N 0 0 389.272 3.173 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)CCC1 ZINC000592068967 567312615 /nfs/dbraw/zinc/31/26/15/567312615.db2.gz GNICJRAQGLMCOD-ZDUSSCGKSA-N 0 0 377.897 3.292 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)CCC1 ZINC000592068966 567313064 /nfs/dbraw/zinc/31/30/64/567313064.db2.gz GNICJRAQGLMCOD-CYBMUJFWSA-N 0 0 377.897 3.292 10 30 GGEERN C[C@H](CNS(=O)(=O)c1cc(Br)c(C#N)cc1F)CC(F)F ZINC000592067529 567313401 /nfs/dbraw/zinc/31/34/01/567313401.db2.gz RJIFZUKFJVBSCG-ZETCQYMHSA-N 0 0 385.205 3.029 10 30 GGEERN CCCCN([C@H]1CCc2ncsc2C1)S(=O)(=O)c1ccccc1C#N ZINC000592108808 567314443 /nfs/dbraw/zinc/31/44/43/567314443.db2.gz SOUSFSXRZHVVQY-HNNXBMFYSA-N 0 0 375.519 3.363 10 30 GGEERN CCCCN([C@H]1CCc2ncsc2C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000592108546 567315240 /nfs/dbraw/zinc/31/52/40/567315240.db2.gz NJJOBBYFNMPHKV-HNNXBMFYSA-N 0 0 375.519 3.363 10 30 GGEERN N#Cc1ccc(Br)c(CN2CCC[C@@H](CO)[C@H]2C(F)(F)F)c1 ZINC000592129168 567316642 /nfs/dbraw/zinc/31/66/42/567316642.db2.gz FURIHPPAJUKUFX-FZMZJTMJSA-N 0 0 377.204 3.456 10 30 GGEERN CC(C)(C)OC(=O)[C@@H]1CC[C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000592115019 567316727 /nfs/dbraw/zinc/31/67/27/567316727.db2.gz CLZWNEBTBPQFET-OLZOCXBDSA-N 0 0 384.885 3.000 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CCC1 ZINC000568329261 567320262 /nfs/dbraw/zinc/32/02/62/567320262.db2.gz JYBSOXNYWYOCLB-ZDUSSCGKSA-N 0 0 388.320 3.185 10 30 GGEERN C=CCN(C(=O)c1cc(=O)[nH]c2ccc(Br)cc21)[C@@H](C)COC ZINC000617580201 567323313 /nfs/dbraw/zinc/32/33/13/567323313.db2.gz SBZRBZQSPVUJNH-NSHDSACASA-N 0 0 379.254 3.366 10 30 GGEERN C=CCN(Cc1cccs1)C(=O)C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000434769420 567327566 /nfs/dbraw/zinc/32/75/66/567327566.db2.gz VXENJJMRTXTBJK-LBPRGKRZSA-N 0 0 375.519 3.483 10 30 GGEERN N#C[C@@]1(F)CCN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2O)C1 ZINC000617659937 567327774 /nfs/dbraw/zinc/32/77/74/567327774.db2.gz CBXOLGTYAYAQPY-HNNXBMFYSA-N 0 0 398.619 3.022 10 30 GGEERN N#C[C@]1(F)CCN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2O)C1 ZINC000617659938 567327831 /nfs/dbraw/zinc/32/78/31/567327831.db2.gz CBXOLGTYAYAQPY-OAHLLOKOSA-N 0 0 398.619 3.022 10 30 GGEERN N#CC1(CS(=O)(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)CCC1 ZINC000568446730 567329094 /nfs/dbraw/zinc/32/90/94/567329094.db2.gz SBQPVDSMXPBNKD-CQSZACIVSA-N 0 0 375.519 3.499 10 30 GGEERN CC(C)(C#N)CCN1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000527302616 567329250 /nfs/dbraw/zinc/32/92/50/567329250.db2.gz PUCSOHLSMNLTFI-UHFFFAOYSA-N 0 0 384.307 3.456 10 30 GGEERN Cc1c(C#N)c(Br)ccc1NC(=O)C(=O)NCC1CCC(F)CC1 ZINC000592316504 567329296 /nfs/dbraw/zinc/32/92/96/567329296.db2.gz QAFGJWWVKGNRGW-UHFFFAOYSA-N 0 0 396.260 3.212 10 30 GGEERN C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000527311162 567329638 /nfs/dbraw/zinc/32/96/38/567329638.db2.gz WORZEBYZNJSFPA-MRVPVSSYSA-N 0 0 392.175 3.167 10 30 GGEERN Cc1cc(C(=O)Nc2ccnc(C)c2Br)nn1-c1cccc(C#N)c1 ZINC000527342304 567334087 /nfs/dbraw/zinc/33/40/87/567334087.db2.gz IZVOBVAWYHTWPX-UHFFFAOYSA-N 0 0 396.248 3.193 10 30 GGEERN CN(C1(C#N)CCC1)S(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000592382416 567334809 /nfs/dbraw/zinc/33/48/09/567334809.db2.gz SVGAUZVECFEXPN-UHFFFAOYSA-N 0 0 382.283 3.008 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000617790547 567336003 /nfs/dbraw/zinc/33/60/03/567336003.db2.gz VEHOHFBOHVRLLY-INIZCTEOSA-N 0 0 384.307 3.113 10 30 GGEERN N#CC[C@@]1(O)CCN(Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000592522552 567343411 /nfs/dbraw/zinc/34/34/11/567343411.db2.gz OMRDMDGYYIERMJ-MRXNPFEDSA-N 0 0 378.295 3.423 10 30 GGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCOc2cc(Br)ccc2C1 ZINC000661119795 567349714 /nfs/dbraw/zinc/34/97/14/567349714.db2.gz KCQBKQOZYRDMIF-DYVFJYSZSA-N 0 0 395.297 3.334 10 30 GGEERN Cc1cc(NC(=O)Cc2c(F)ccc(Br)c2F)n(CCC#N)n1 ZINC000548799984 567350934 /nfs/dbraw/zinc/35/09/34/567350934.db2.gz STYWAOPOTWALTJ-UHFFFAOYSA-N 0 0 383.196 3.327 10 30 GGEERN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCc2ccc(F)c(Br)c2C1 ZINC000527621212 567350900 /nfs/dbraw/zinc/35/09/00/567350900.db2.gz HZODZKFVFULSLV-SGTLLEGYSA-N 0 0 396.304 3.389 10 30 GGEERN CC(C)[C@](C)(C#N)NC(=O)CN1CCc2ccc(F)c(Br)c2C1 ZINC000527621406 567350904 /nfs/dbraw/zinc/35/09/04/567350904.db2.gz LDXJMZFHSKBOEK-KRWDZBQOSA-N 0 0 382.277 3.001 10 30 GGEERN N#Cc1cccc(CC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)c1 ZINC000548786208 567351081 /nfs/dbraw/zinc/35/10/81/567351081.db2.gz HXFUWGZVUILASD-OAHLLOKOSA-N 0 0 375.197 3.252 10 30 GGEERN CC(C)c1ncc2c(n1)CCN(C(=O)c1ccc(Br)cc1C#N)C2 ZINC000527626966 567351682 /nfs/dbraw/zinc/35/16/82/567351682.db2.gz RLBIJCOZDZIFPE-UHFFFAOYSA-N 0 0 385.265 3.433 10 30 GGEERN Cc1c(C#N)c(NC(=O)CCCOc2cccc(Br)c2)nn1C ZINC000592647538 567352514 /nfs/dbraw/zinc/35/25/14/567352514.db2.gz VDUNTEBYDLFLDZ-UHFFFAOYSA-N 0 0 377.242 3.160 10 30 GGEERN Cc1c(C#N)c(NC(=O)CCSc2ccc(Br)cc2)nn1C ZINC000592646933 567352738 /nfs/dbraw/zinc/35/27/38/567352738.db2.gz SSXOCWMDZCVKNJ-UHFFFAOYSA-N 0 0 379.283 3.484 10 30 GGEERN N#CC1CCC(CNC(=O)c2ccc(Br)cc2-n2cncn2)CC1 ZINC000548843720 567355068 /nfs/dbraw/zinc/35/50/68/567355068.db2.gz YTXRIFUFLPTJKZ-UHFFFAOYSA-N 0 0 388.269 3.090 10 30 GGEERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000592696885 567355415 /nfs/dbraw/zinc/35/54/15/567355415.db2.gz HRBTZEDDKWTCKJ-XBXGTLAGSA-N 0 0 381.270 3.162 10 30 GGEERN CC(C)(C)O[C@H]1C[C@@H](NC(=O)COc2cccc(Br)c2C#N)C1 ZINC000592697077 567355591 /nfs/dbraw/zinc/35/55/91/567355591.db2.gz NBCFVVINCFOVSB-TXEJJXNPSA-N 0 0 381.270 3.162 10 30 GGEERN C[C@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1cccnc1 ZINC000592746719 567359587 /nfs/dbraw/zinc/35/95/87/567359587.db2.gz BODRHBQKQABFEL-LBPRGKRZSA-N 0 0 385.265 3.029 10 30 GGEERN CCN(Cc1ccncc1)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592756173 567360384 /nfs/dbraw/zinc/36/03/84/567360384.db2.gz UJINBAMRIHVXGL-UHFFFAOYSA-N 0 0 399.292 3.201 10 30 GGEERN CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000592755845 567360590 /nfs/dbraw/zinc/36/05/90/567360590.db2.gz CFJWURUMQBBSDE-MSOLQXFVSA-N 0 0 390.325 3.171 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)Nc2cnc(C3CC3)nc2)C1 ZINC000592756481 567360741 /nfs/dbraw/zinc/36/07/41/567360741.db2.gz BYXGKMGSJAOQHU-UHFFFAOYSA-N 0 0 398.264 3.063 10 30 GGEERN CSCCCCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592765550 567361115 /nfs/dbraw/zinc/36/11/15/567361115.db2.gz LEXPCZZDLJKWCM-UHFFFAOYSA-N 0 0 382.327 3.016 10 30 GGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCn1cc(Br)ccc1=O ZINC000661251231 567361502 /nfs/dbraw/zinc/36/15/02/567361502.db2.gz CRORXNGWEAUYSO-ZFWWWQNUSA-N 0 0 382.302 3.045 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC3(C2)CC(F)(F)C3)C1 ZINC000592781601 567362014 /nfs/dbraw/zinc/36/20/14/567362014.db2.gz ZYWUZSUOEVWKLB-UHFFFAOYSA-N 0 0 396.235 3.015 10 30 GGEERN Cc1noc(C)c1N(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592769631 567362263 /nfs/dbraw/zinc/36/22/63/567362263.db2.gz XYHHGVKPMMTRMG-UHFFFAOYSA-N 0 0 389.253 3.025 10 30 GGEERN Cc1ccncc1[C@@H](C)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592783428 567362304 /nfs/dbraw/zinc/36/23/04/567362304.db2.gz QIGXLJNDYNQXFR-CYBMUJFWSA-N 0 0 399.292 3.338 10 30 GGEERN C[C@H](CC(F)(F)F)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592787420 567362552 /nfs/dbraw/zinc/36/25/52/567362552.db2.gz FLZQMJAXXUUTDS-SECBINFHSA-N 0 0 390.203 3.214 10 30 GGEERN C=CCC1(C(=O)N2CCN(c3ccc(Br)cc3)CC2)CCOCC1 ZINC000618181678 567362852 /nfs/dbraw/zinc/36/28/52/567362852.db2.gz NIZVRZCCTGEKGC-UHFFFAOYSA-N 0 0 393.325 3.471 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H]2CCC(F)(F)C2)C1 ZINC000592797498 567363674 /nfs/dbraw/zinc/36/36/74/567363674.db2.gz YVAFCOGJXXZXNL-LLVKDONJSA-N 0 0 398.251 3.309 10 30 GGEERN Cc1ccc(CN(C)C(=O)C2CN(c3ccc(Br)cc3C#N)C2)nc1 ZINC000592793149 567363730 /nfs/dbraw/zinc/36/37/30/567363730.db2.gz LOHDUYSTBBAEGT-UHFFFAOYSA-N 0 0 399.292 3.119 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H]2CCCC2(F)F)C1 ZINC000592801850 567364075 /nfs/dbraw/zinc/36/40/75/567364075.db2.gz QZVOFCCFDCRFTP-CYBMUJFWSA-N 0 0 398.251 3.309 10 30 GGEERN N#Cc1cccnc1N1CCN(Cc2c(F)ccc(Br)c2F)CC1 ZINC000501091898 567364020 /nfs/dbraw/zinc/36/40/20/567364020.db2.gz SKFFDYNZOPLESG-UHFFFAOYSA-N 0 0 393.235 3.316 10 30 GGEERN CCOc1ccc([C@@H]2C[C@H]2NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000435432413 567364793 /nfs/dbraw/zinc/36/47/93/567364793.db2.gz NDBOEFRKKOEJNO-FUHWJXTLSA-N 0 0 376.865 3.445 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)s1 ZINC000435442148 567367683 /nfs/dbraw/zinc/36/76/83/567367683.db2.gz GXRJQFRCLJBIAL-SNVBAGLBSA-N 0 0 375.258 3.339 10 30 GGEERN C=C(C)Cn1c(SCC(=O)N[C@@H]2CSC2(C)C)nnc1-c1ccco1 ZINC000549032709 567368911 /nfs/dbraw/zinc/36/89/11/567368911.db2.gz MSKLFAVEYACQJH-CYBMUJFWSA-N 0 0 378.523 3.217 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@@H]2CCc3c2ccc(F)c3Br)CCC1 ZINC000568958299 567369546 /nfs/dbraw/zinc/36/95/46/567369546.db2.gz JDTZBBLQRFJLJL-CYBMUJFWSA-N 0 0 387.274 3.189 10 30 GGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000661419778 567372381 /nfs/dbraw/zinc/37/23/81/567372381.db2.gz QPJVNVYHYACUKE-KCXAZCMYSA-N 0 0 394.313 3.410 10 30 GGEERN CCO[C@@H]1C[C@@H](NC(=O)c2cc(C3CC3)nc(SC)c2C#N)[C@@H]1SC ZINC000592891357 567372877 /nfs/dbraw/zinc/37/28/77/567372877.db2.gz MPAQSKIVFFSCJU-OAGGEKHMSA-N 0 0 377.535 3.191 10 30 GGEERN CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C1 ZINC000592901571 567373032 /nfs/dbraw/zinc/37/30/32/567373032.db2.gz LDWOURHMKKODDY-AWEZNQCLSA-N 0 0 394.180 3.006 10 30 GGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000661419777 567373067 /nfs/dbraw/zinc/37/30/67/567373067.db2.gz QPJVNVYHYACUKE-DAXOMENPSA-N 0 0 394.313 3.410 10 30 GGEERN N#CCN1CCC[C@H](CNC(=O)c2cc3c(cncc3Br)s2)C1 ZINC000592945238 567373648 /nfs/dbraw/zinc/37/36/48/567373648.db2.gz HHDVTCPRCOQQFJ-LLVKDONJSA-N 0 0 393.310 3.024 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)c(F)c1 ZINC000435582876 567375584 /nfs/dbraw/zinc/37/55/84/567375584.db2.gz CIXDWEPCYYACBO-SUMWQHHRSA-N 0 0 382.819 3.465 10 30 GGEERN CN1CCN(C(=O)Cc2ccc(Br)cc2C#N)[C@H](c2ccccc2)C1 ZINC000593014620 567378412 /nfs/dbraw/zinc/37/84/12/567378412.db2.gz APVKVSPMNXGBJH-IBGZPJMESA-N 0 0 398.304 3.379 10 30 GGEERN N#Cc1ccsc1C(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000456482757 567378962 /nfs/dbraw/zinc/37/89/62/567378962.db2.gz IUEHBGKLBHXCAK-JTQLQIEISA-N 0 0 397.269 3.102 10 30 GGEERN C=CCn1cc(CNC(=O)Nc2ccc(Br)c(OC(C)C)c2)nn1 ZINC000640443533 567379031 /nfs/dbraw/zinc/37/90/31/567379031.db2.gz WGNOHOXXVOFGGH-UHFFFAOYSA-N 0 0 394.273 3.336 10 30 GGEERN Cc1nc(NC(=O)Cc2c(C)nn(CC3CC3)c2C)sc1SCC#N ZINC000593030139 567379656 /nfs/dbraw/zinc/37/96/56/567379656.db2.gz LKSZQWXQQAOPKH-UHFFFAOYSA-N 0 0 375.523 3.472 10 30 GGEERN CCOC(=O)CCN(CC1CC1)C(=O)Cc1ccc(Br)cc1C#N ZINC000593040664 567381022 /nfs/dbraw/zinc/38/10/22/567381022.db2.gz XXKDFAPTZAPYDI-UHFFFAOYSA-N 0 0 393.281 3.055 10 30 GGEERN CC1(C)[C@H](NC(=O)Cc2ccc(Br)cc2C#N)[C@@H]2CCCO[C@@H]21 ZINC000593068399 567382212 /nfs/dbraw/zinc/38/22/12/567382212.db2.gz DYVOLFLSFLTMMH-UAGQMJEPSA-N 0 0 377.282 3.183 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NC[C@H]1OCCc2ccccc21 ZINC000593059851 567382442 /nfs/dbraw/zinc/38/24/42/567382442.db2.gz MVEUOUGVFGJPGQ-GOSISDBHSA-N 0 0 385.261 3.293 10 30 GGEERN CC1(C)[C@H](NC(=O)Cc2ccc(Br)cc2C#N)[C@H]2CCCO[C@@H]21 ZINC000593068396 567382700 /nfs/dbraw/zinc/38/27/00/567382700.db2.gz DYVOLFLSFLTMMH-OIISXLGYSA-N 0 0 377.282 3.183 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCOC[C@H]1c1ccco1 ZINC000593062479 567382937 /nfs/dbraw/zinc/38/29/37/567382937.db2.gz ZNLHRVDUBNARIV-HNNXBMFYSA-N 0 0 375.222 3.056 10 30 GGEERN CC(C)C[C@H](NC(=O)Cc1ccc(Br)cc1C#N)C(=O)OC(C)C ZINC000593064194 567383012 /nfs/dbraw/zinc/38/30/12/567383012.db2.gz QNQCQFHHGGPLKV-INIZCTEOSA-N 0 0 395.297 3.346 10 30 GGEERN CC(C)[C@H]1OCCC[C@H]1CNC(=O)Cc1ccc(Br)cc1C#N ZINC000593079722 567383594 /nfs/dbraw/zinc/38/35/94/567383594.db2.gz ICGVQFFMUCHAQO-KBXCAEBGSA-N 0 0 379.298 3.431 10 30 GGEERN CCO[C@@H]1C[C@@H](NC(=O)Cc2ccc(Br)cc2C#N)C12CCC2 ZINC000593069430 567384058 /nfs/dbraw/zinc/38/40/58/567384058.db2.gz LXNABEBHDCKJBG-HZPDHXFCSA-N 0 0 377.282 3.327 10 30 GGEERN CCc1noc(CC)c1CNC(=O)Cc1ccc(Br)cc1C#N ZINC000593091949 567384968 /nfs/dbraw/zinc/38/49/68/567384968.db2.gz LQIFNSTZJVPYMM-UHFFFAOYSA-N 0 0 376.254 3.292 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000593102079 567385175 /nfs/dbraw/zinc/38/51/75/567385175.db2.gz WNHYCVZLQLIPGR-DOTOQJQBSA-N 0 0 395.322 3.034 10 30 GGEERN C=CCCn1cc(CN2CCOC[C@@H]2c2ccc(Br)cc2)nn1 ZINC000661642673 567385378 /nfs/dbraw/zinc/38/53/78/567385378.db2.gz HBQBASCTZAPPJY-QGZVFWFLSA-N 0 0 377.286 3.190 10 30 GGEERN COC[C@H](Cc1ccccc1)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593084488 567385412 /nfs/dbraw/zinc/38/54/12/567385412.db2.gz QSOFBSNYWUDBHO-SFHVURJKSA-N 0 0 387.277 3.237 10 30 GGEERN CC(C)CCn1ccc(=NC(=O)Cc2ccc(Br)cc2C#N)[nH]1 ZINC000593092653 567385473 /nfs/dbraw/zinc/38/54/73/567385473.db2.gz AKJGZEUIRNWJHG-UHFFFAOYSA-N 0 0 375.270 3.166 10 30 GGEERN CC(C)(C)c1nnc(CNC(=O)Cc2ccc(Br)cc2C#N)s1 ZINC000593092574 567385597 /nfs/dbraw/zinc/38/55/97/567385597.db2.gz VYGIITBSJUNCFP-UHFFFAOYSA-N 0 0 393.310 3.329 10 30 GGEERN Cc1nc(C(F)(F)F)ccc1NC(=O)NCCOCC(F)(F)C(F)F ZINC000549299956 567385581 /nfs/dbraw/zinc/38/55/81/567385581.db2.gz HDLIJHMIDPNWEW-UHFFFAOYSA-N 0 0 377.260 3.447 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000593102080 567385933 /nfs/dbraw/zinc/38/59/33/567385933.db2.gz WNHYCVZLQLIPGR-NVXWUHKLSA-N 0 0 395.322 3.034 10 30 GGEERN COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593108491 567386318 /nfs/dbraw/zinc/38/63/18/567386318.db2.gz WLHYJUVKGCKBCH-YJBOKZPZSA-N 0 0 393.281 3.101 10 30 GGEERN C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(OC)CC1 ZINC000549332880 567386374 /nfs/dbraw/zinc/38/63/74/567386374.db2.gz PRPPSTGBBOXNTI-UHFFFAOYSA-N 0 0 394.317 3.237 10 30 GGEERN COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593108489 567387036 /nfs/dbraw/zinc/38/70/36/567387036.db2.gz WLHYJUVKGCKBCH-MAUKXSAKSA-N 0 0 393.281 3.101 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000593103582 567387087 /nfs/dbraw/zinc/38/70/87/567387087.db2.gz SHWNUNPNAXGFDI-KBAYOESNSA-N 0 0 389.293 3.327 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCN2CCOc3cccc1c32 ZINC000593115774 567387358 /nfs/dbraw/zinc/38/73/58/567387358.db2.gz IFOFJFCEEATBBP-UHFFFAOYSA-N 0 0 398.260 3.109 10 30 GGEERN COCC[C@H](Cc1ccco1)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593121920 567387882 /nfs/dbraw/zinc/38/78/82/567387882.db2.gz FBNFTTYLTQPBJH-MRXNPFEDSA-N 0 0 391.265 3.220 10 30 GGEERN CCOC(=O)C[C@@](C)(NC(=O)Cc1ccc(Br)cc1C#N)C(C)C ZINC000593133714 567388340 /nfs/dbraw/zinc/38/83/40/567388340.db2.gz BOKUGJOGPUWYFP-GOSISDBHSA-N 0 0 395.297 3.347 10 30 GGEERN CCOC(=O)CCN(C(=O)Cc1ccc(Br)cc1C#N)C(C)(C)C ZINC000593118576 567388391 /nfs/dbraw/zinc/38/83/91/567388391.db2.gz ZYFAROGWHCCKPK-UHFFFAOYSA-N 0 0 395.297 3.444 10 30 GGEERN C[C@]1(CNC(=O)Cc2ccc(Br)cc2C#N)CCO[C@@H]1C1CC1 ZINC000593133239 567388492 /nfs/dbraw/zinc/38/84/92/567388492.db2.gz SMYBJVWILLENKR-QZTJIDSGSA-N 0 0 377.282 3.185 10 30 GGEERN C[C@@H]1N(C(=O)Cc2ccc(Br)cc2C#N)CCC12CCOCC2 ZINC000593126189 567388520 /nfs/dbraw/zinc/38/85/20/567388520.db2.gz GTJKRRLEYDYQLB-ZDUSSCGKSA-N 0 0 377.282 3.281 10 30 GGEERN O=C(NCCO[C@@H]1CC1(F)F)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000661681330 567388915 /nfs/dbraw/zinc/38/89/15/567388915.db2.gz KQBBOJGAZHKNJF-HRDYMLBCSA-N 0 0 384.267 3.183 10 30 GGEERN CCOC(=O)CC1(NC(=O)Cc2ccc(Br)cc2C#N)CCCC1 ZINC000593143746 567389817 /nfs/dbraw/zinc/38/98/17/567389817.db2.gz OFXZZKSEKWVXAS-UHFFFAOYSA-N 0 0 393.281 3.245 10 30 GGEERN CC(C)c1ncc(CN(C)C(=O)Cc2ccc(Br)cc2C#N)cn1 ZINC000593147210 567389898 /nfs/dbraw/zinc/38/98/98/567389898.db2.gz SLECEPLTPJTACJ-UHFFFAOYSA-N 0 0 387.281 3.435 10 30 GGEERN Cn1nccc1[C@H]1CCCCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593147486 567390089 /nfs/dbraw/zinc/39/00/89/567390089.db2.gz NJYIIFYAKJYYCJ-QGZVFWFLSA-N 0 0 387.281 3.351 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCOC2(CCCCC2)C1 ZINC000593143722 567390422 /nfs/dbraw/zinc/39/04/22/567390422.db2.gz NMYNVGZCCWMQFZ-UHFFFAOYSA-N 0 0 377.282 3.425 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000593159704 567391105 /nfs/dbraw/zinc/39/11/05/567391105.db2.gz HZCGTPGUYFANGN-FUHWJXTLSA-N 0 0 389.293 3.423 10 30 GGEERN CC1(C)CN(C(=O)Cc2ccc(Br)cc2C#N)[C@@H]1[C@H]1CCCO1 ZINC000593158476 567391169 /nfs/dbraw/zinc/39/11/69/567391169.db2.gz XXTLOWIEHJXJEM-NVXWUHKLSA-N 0 0 377.282 3.279 10 30 GGEERN CN(CCOCc1ccc(C#N)cc1)C(=O)c1nscc1Br ZINC000593158497 567391366 /nfs/dbraw/zinc/39/13/66/567391366.db2.gz ZFBBCCJEMRAIFJ-UHFFFAOYSA-N 0 0 380.267 3.066 10 30 GGEERN Cc1cc(Br)cc(Cl)c1C(=O)NCC1CCN(CC#N)CC1 ZINC000477375810 567391533 /nfs/dbraw/zinc/39/15/33/567391533.db2.gz DMRKJWFBLCYKET-UHFFFAOYSA-N 0 0 384.705 3.376 10 30 GGEERN CC1(C)CN(C(=O)Cc2ccc(Br)cc2C#N)[C@H]1[C@@H]1CCCO1 ZINC000593158477 567391560 /nfs/dbraw/zinc/39/15/60/567391560.db2.gz XXTLOWIEHJXJEM-RDJZCZTQSA-N 0 0 377.282 3.279 10 30 GGEERN CO[C@H](CNC(=O)Cc1ccc(Br)cc1C#N)Cc1ccccc1 ZINC000593166914 567392339 /nfs/dbraw/zinc/39/23/39/567392339.db2.gz RVOZPYXGYSXNQY-SFHVURJKSA-N 0 0 387.277 3.237 10 30 GGEERN CC[C@H](COCC(F)(F)F)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593167342 567392450 /nfs/dbraw/zinc/39/24/50/567392450.db2.gz OGHSXGBUHLZQSO-CYBMUJFWSA-N 0 0 393.203 3.337 10 30 GGEERN N#Cc1ccc(NC(=O)CN[C@H]2CCOc3c(Br)cccc32)cc1 ZINC000501494158 567392584 /nfs/dbraw/zinc/39/25/84/567392584.db2.gz FTTSNXIFFDVRBJ-INIZCTEOSA-N 0 0 386.249 3.373 10 30 GGEERN CC(C)[C@H]1C[C@H](CNC(=O)Cc2ccc(Br)cc2C#N)CCO1 ZINC000593167688 567392620 /nfs/dbraw/zinc/39/26/20/567392620.db2.gz DNOXZLOKJDHXFD-CXAGYDPISA-N 0 0 379.298 3.431 10 30 GGEERN C=C(C)CN(C)S(=O)(=O)c1cc(Br)ccc1OCCOCC ZINC000501491575 567392719 /nfs/dbraw/zinc/39/27/19/567392719.db2.gz MNUCMBHZZPRBQG-UHFFFAOYSA-N 0 0 392.315 3.061 10 30 GGEERN C=CCOCCCNC(=O)NCc1nc2cc(Br)ccc2n1CC ZINC000661794932 567393075 /nfs/dbraw/zinc/39/30/75/567393075.db2.gz XPMFOXVPSPUQPW-UHFFFAOYSA-N 0 0 395.301 3.211 10 30 GGEERN CCOC(=O)c1c(NC(=O)c2nscc2Br)c(C#N)cn1CC ZINC000593175700 567393387 /nfs/dbraw/zinc/39/33/87/567393387.db2.gz ZFWJOGBBUBUQTE-UHFFFAOYSA-N 0 0 397.254 3.028 10 30 GGEERN N#CC1(CNC(=O)Nc2ccnn2-c2ccc(Br)cn2)CCCC1 ZINC000593193774 567393589 /nfs/dbraw/zinc/39/35/89/567393589.db2.gz FUAYGZZNRDCGMG-UHFFFAOYSA-N 0 0 389.257 3.235 10 30 GGEERN C=CCC[C@@H](NC(=O)c1c(F)ccc(Br)c1F)C(=O)OCC ZINC000456601347 567394753 /nfs/dbraw/zinc/39/47/53/567394753.db2.gz FYHRRHFZWQTBEP-LLVKDONJSA-N 0 0 376.197 3.355 10 30 GGEERN C=CCOCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000618514915 567394868 /nfs/dbraw/zinc/39/48/68/567394868.db2.gz QUTDINKHGFZJQL-MRXNPFEDSA-N 0 0 385.291 3.307 10 30 GGEERN N#Cc1cccc(NC(=O)CN[C@@H]2CCOc3c(Br)cccc32)c1 ZINC000501528739 567396033 /nfs/dbraw/zinc/39/60/33/567396033.db2.gz FBYGQYJDBNUIDH-MRXNPFEDSA-N 0 0 386.249 3.373 10 30 GGEERN C=CCOCCCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000618524857 567396879 /nfs/dbraw/zinc/39/68/79/567396879.db2.gz SPVHVDJNJJNZMS-GUYCJALGSA-N 0 0 385.291 3.222 10 30 GGEERN C=CCOCCCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000618526830 567397016 /nfs/dbraw/zinc/39/70/16/567397016.db2.gz YHDWGHSJBZIBOM-UHFFFAOYSA-N 0 0 378.270 3.266 10 30 GGEERN C=CCOCCCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000618524855 567397077 /nfs/dbraw/zinc/39/70/77/567397077.db2.gz SPVHVDJNJJNZMS-CXAGYDPISA-N 0 0 385.291 3.222 10 30 GGEERN N#CC1(CS(=O)(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)CCC1 ZINC000477484443 567397597 /nfs/dbraw/zinc/39/75/97/567397597.db2.gz YDJXZMALYUZHMM-OAHLLOKOSA-N 0 0 382.913 3.454 10 30 GGEERN CC[C@@H](Cc1ccccc1Br)NS(=O)(=O)CC1(C#N)CCC1 ZINC000477482269 567397627 /nfs/dbraw/zinc/39/76/27/567397627.db2.gz RYNWXFNGIFKJLV-AWEZNQCLSA-N 0 0 385.327 3.383 10 30 GGEERN CC[C@H](Cc1ccccc1Br)NS(=O)(=O)CC1(C#N)CCC1 ZINC000477482270 567398158 /nfs/dbraw/zinc/39/81/58/567398158.db2.gz RYNWXFNGIFKJLV-CQSZACIVSA-N 0 0 385.327 3.383 10 30 GGEERN N#CC1(CN2C(=O)CN(Cc3cccc(Br)c3)C2=O)CCCC1 ZINC000593230453 567399444 /nfs/dbraw/zinc/39/94/44/567399444.db2.gz URMZDTLEPDOCKD-UHFFFAOYSA-N 0 0 376.254 3.297 10 30 GGEERN N#Cc1cc2c(nc1NCc1cc(F)c(Br)cc1F)CCOC2 ZINC000528184771 567399765 /nfs/dbraw/zinc/39/97/65/567399765.db2.gz DFCKABHIKYANJF-UHFFFAOYSA-N 0 0 380.192 3.101 10 30 GGEERN N#CC1(CN2C(=O)[C@H]3Cc4c(Br)cccc4CN3C2=O)CCCC1 ZINC000593232350 567399882 /nfs/dbraw/zinc/39/98/82/567399882.db2.gz PAJIYJMHAUSGIB-OAHLLOKOSA-N 0 0 388.265 3.222 10 30 GGEERN N#Cc1ccnc(NC(=O)c2cc(F)c(F)cc2I)c1 ZINC000436015652 567400374 /nfs/dbraw/zinc/40/03/74/567400374.db2.gz OIWROEDYWKWKHV-UHFFFAOYSA-N 0 0 385.111 3.088 10 30 GGEERN N#Cc1ccnc(NC(=O)c2ccc(I)cc2Cl)c1 ZINC000436004701 567400498 /nfs/dbraw/zinc/40/04/98/567400498.db2.gz DXCOBODSLXVMPW-UHFFFAOYSA-N 0 0 383.576 3.464 10 30 GGEERN N#Cc1ccnc(NC(=O)c2cc(I)ccc2Cl)c1 ZINC000436014905 567401065 /nfs/dbraw/zinc/40/10/65/567401065.db2.gz LACWRQDMNRIBBD-UHFFFAOYSA-N 0 0 383.576 3.464 10 30 GGEERN Cc1cc(NS(=O)(=O)Cc2cc(Cl)sc2Cl)n(CCC#N)n1 ZINC000593277627 567401868 /nfs/dbraw/zinc/40/18/68/567401868.db2.gz XVIJIDJTEMBGEI-UHFFFAOYSA-N 0 0 379.294 3.415 10 30 GGEERN N#Cc1ccnc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)c1 ZINC000436032086 567402057 /nfs/dbraw/zinc/40/20/57/567402057.db2.gz ZRLZUKUEASALQH-NSHDSACASA-N 0 0 375.215 3.252 10 30 GGEERN CSc1ccc([C@@H](CNS(=O)(=O)CC2(C#N)CCCC2)N(C)C)cc1 ZINC000549641171 567402825 /nfs/dbraw/zinc/40/28/25/567402825.db2.gz NRCOIEXXUSGAMW-QGZVFWFLSA-N 0 0 381.567 3.015 10 30 GGEERN N#Cc1c(Br)cccc1OCC(=O)N[C@H](C1CC1)C1CCOCC1 ZINC000593280506 567403828 /nfs/dbraw/zinc/40/38/28/567403828.db2.gz YDEWGFFKMVNNIC-GOSISDBHSA-N 0 0 393.281 3.021 10 30 GGEERN O=C(c1c(F)cc(C(F)(F)F)cc1F)N1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000456712432 567407406 /nfs/dbraw/zinc/40/74/06/567407406.db2.gz VRXRYORNCVCTMG-KBUNVGBDSA-N 0 0 377.231 3.369 10 30 GGEERN N#CC1(CNC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)CCCC1 ZINC000593343405 567407891 /nfs/dbraw/zinc/40/78/91/567407891.db2.gz IAEVSVJYJGOGJX-HNNXBMFYSA-N 0 0 391.313 3.411 10 30 GGEERN C=C(C)C[C@@H](C)C(=O)NC[C@H](CO)Cc1cc(Br)ccc1OC ZINC000456719377 567408689 /nfs/dbraw/zinc/40/86/89/567408689.db2.gz LNRAEGILYFFZOG-ZIAGYGMSSA-N 0 0 384.314 3.327 10 30 GGEERN C=C(C)C[C@H](C)C(=O)NC[C@H](CO)Cc1cc(Br)ccc1OC ZINC000456719376 567408770 /nfs/dbraw/zinc/40/87/70/567408770.db2.gz LNRAEGILYFFZOG-UONOGXRCSA-N 0 0 384.314 3.327 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000593397814 567410280 /nfs/dbraw/zinc/41/02/80/567410280.db2.gz ZNXKXPBZTVJEFU-MRXNPFEDSA-N 0 0 386.249 3.158 10 30 GGEERN N#CC1(CNC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)CCCC1 ZINC000593397851 567410652 /nfs/dbraw/zinc/41/06/52/567410652.db2.gz ACYGXUAXCQVDNQ-OAHLLOKOSA-N 0 0 391.313 3.411 10 30 GGEERN COc1cccc(OC(F)(F)F)c1S(=O)(=O)N(CC#N)C1CCCC1 ZINC000528325119 567411352 /nfs/dbraw/zinc/41/13/52/567411352.db2.gz FFMTWNDHDYWAHD-UHFFFAOYSA-N 0 0 378.372 3.051 10 30 GGEERN N#CC1(CNC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)CCCC1 ZINC000593427759 567411470 /nfs/dbraw/zinc/41/14/70/567411470.db2.gz QYZSRQWCCWPZTC-LBPRGKRZSA-N 0 0 386.279 3.116 10 30 GGEERN COc1cc(CNC(=O)NCC2(C#N)CCCC2)c(Br)cc1O ZINC000593421529 567411710 /nfs/dbraw/zinc/41/17/10/567411710.db2.gz ROWZZUAFYLQSTC-UHFFFAOYSA-N 0 0 382.258 3.046 10 30 GGEERN N#Cc1ccccc1N1CCCN(C(=O)c2nscc2Br)CC1 ZINC000593408783 567411795 /nfs/dbraw/zinc/41/17/95/567411795.db2.gz UYPPDUHOIZFMKL-UHFFFAOYSA-N 0 0 391.294 3.130 10 30 GGEERN Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)c1cscc1C#N ZINC000456736588 567412872 /nfs/dbraw/zinc/41/28/72/567412872.db2.gz XDKDAHKMNJTXSF-GFCCVEGCSA-N 0 0 393.306 3.272 10 30 GGEERN N#CC1(CNC(=O)N(CCO)Cc2ccc(Br)s2)CCCC1 ZINC000593432737 567413694 /nfs/dbraw/zinc/41/36/94/567413694.db2.gz VHCWKCTZZZBCFO-UHFFFAOYSA-N 0 0 386.315 3.098 10 30 GGEERN C=CCCCNC(=O)C(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000477766234 567414935 /nfs/dbraw/zinc/41/49/35/567414935.db2.gz DCPQDPFDPCYZRX-UHFFFAOYSA-N 0 0 379.298 3.069 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNc1ncnc2cc(I)sc21 ZINC000593479062 567417513 /nfs/dbraw/zinc/41/75/13/567417513.db2.gz VQGCPGCNVFLUJS-WPRPVWTQSA-N 0 0 387.246 3.299 10 30 GGEERN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000662229590 567418789 /nfs/dbraw/zinc/41/87/89/567418789.db2.gz KIHGBRIDDBDAIX-KBPBESRZSA-N 0 0 376.444 3.304 10 30 GGEERN C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)C[C@H](C(F)(F)F)O1 ZINC000593497216 567418885 /nfs/dbraw/zinc/41/88/85/567418885.db2.gz SZAQIQFNPFBXFD-NOZJJQNGSA-N 0 0 391.187 3.041 10 30 GGEERN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCO[C@H](CC(F)(F)F)C1 ZINC000662229593 567419019 /nfs/dbraw/zinc/41/90/19/567419019.db2.gz KIHGBRIDDBDAIX-UONOGXRCSA-N 0 0 376.444 3.304 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCCC2(CCOCC2)C1 ZINC000593486039 567419276 /nfs/dbraw/zinc/41/92/76/567419276.db2.gz HULOACIKDAKWHP-UHFFFAOYSA-N 0 0 377.282 3.282 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000593500509 567419701 /nfs/dbraw/zinc/41/97/01/567419701.db2.gz POZYHMOCMYIVKQ-SFHVURJKSA-N 0 0 377.282 3.282 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000593516133 567420891 /nfs/dbraw/zinc/42/08/91/567420891.db2.gz MCWLPNPRPSMPMZ-MRXNPFEDSA-N 0 0 375.222 3.056 10 30 GGEERN COc1cc([C@@H](C)NS(=O)(=O)c2ccsc2C#N)ccc1OC(C)C ZINC000593530447 567420924 /nfs/dbraw/zinc/42/09/24/567420924.db2.gz IMRLKWKSPUFOON-GFCCVEGCSA-N 0 0 380.491 3.455 10 30 GGEERN CO[C@H](C)c1nc(CNC(=O)Cc2ccc(Br)cc2C#N)cs1 ZINC000593511078 567421082 /nfs/dbraw/zinc/42/10/82/567421082.db2.gz FKZLROAPHSGCFJ-SNVBAGLBSA-N 0 0 394.294 3.344 10 30 GGEERN COC(=O)c1cc(C#N)ccc1S(=O)(=O)N[C@H](C)c1cc(C)sc1C ZINC000593530568 567421137 /nfs/dbraw/zinc/42/11/37/567421137.db2.gz KHGPDFMCLPBUSV-LLVKDONJSA-N 0 0 378.475 3.063 10 30 GGEERN N#Cc1sccc1S(=O)(=O)NCc1ccc(COCC(F)(F)F)cc1 ZINC000593529388 567421164 /nfs/dbraw/zinc/42/11/64/567421164.db2.gz CZMDLVNCAJBATL-UHFFFAOYSA-N 0 0 390.408 3.177 10 30 GGEERN C[C@@H](c1ccccc1Cl)N1CCN(S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593528585 567421341 /nfs/dbraw/zinc/42/13/41/567421341.db2.gz DPGFJYGVOWRNQN-ZDUSSCGKSA-N 0 0 395.937 3.341 10 30 GGEERN C[C@H]1CCN(C(=O)Cc2ccc(Br)cc2C#N)C[C@H]1n1ccnc1 ZINC000593523959 567421348 /nfs/dbraw/zinc/42/13/48/567421348.db2.gz ZENOGYZZRWKICN-SUMWQHHRSA-N 0 0 387.281 3.169 10 30 GGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000436371439 567421583 /nfs/dbraw/zinc/42/15/83/567421583.db2.gz QFBVJPYZDOCGTR-ABAIWWIYSA-N 0 0 397.269 3.338 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NCCC[C@H]1CCCC[C@@H]1O ZINC000593538640 567422134 /nfs/dbraw/zinc/42/21/34/567422134.db2.gz OHNAIBINQYVBFU-DYVFJYSZSA-N 0 0 379.298 3.311 10 30 GGEERN N#Cc1sccc1S(=O)(=O)NCc1ccnc(OC2CCCCC2)c1 ZINC000593538350 567422178 /nfs/dbraw/zinc/42/21/78/567422178.db2.gz LUOHTLVXRGIFGT-UHFFFAOYSA-N 0 0 377.491 3.205 10 30 GGEERN CN(C(=O)Cc1ccc(Br)cc1C#N)[C@H](CCO)c1ccccc1 ZINC000593537314 567422222 /nfs/dbraw/zinc/42/22/22/567422222.db2.gz GTSHKAFJEHRTMO-GOSISDBHSA-N 0 0 387.277 3.445 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000593535424 567422770 /nfs/dbraw/zinc/42/27/70/567422770.db2.gz XDFLITAKFAUDEN-UHFFFAOYSA-N 0 0 384.429 3.130 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000593542995 567422822 /nfs/dbraw/zinc/42/28/22/567422822.db2.gz YCFBXZNGUOZZBY-UHFFFAOYSA-N 0 0 376.503 3.237 10 30 GGEERN Cc1ccc(C)c([C@@H]2CN(S(=O)(=O)c3ccsc3C#N)[C@H](C)CO2)c1 ZINC000593556429 567423549 /nfs/dbraw/zinc/42/35/49/567423549.db2.gz LPKGNKHVZCGTGV-ZBFHGGJFSA-N 0 0 376.503 3.387 10 30 GGEERN N#C[C@H](NC(=O)c1cccc(-c2nc[nH]n2)c1)c1ccc(Br)cc1 ZINC000502225581 567424194 /nfs/dbraw/zinc/42/41/94/567424194.db2.gz GLELBENTPJSSBY-HNNXBMFYSA-N 0 0 382.221 3.229 10 30 GGEERN N#Cc1sccc1S(=O)(=O)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000593547335 567424362 /nfs/dbraw/zinc/42/43/62/567424362.db2.gz DEQNCMXGPHJBAH-UHFFFAOYSA-N 0 0 382.894 3.257 10 30 GGEERN CC(C)(C#N)c1ccc(S(=O)(=O)N[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000593573149 567425026 /nfs/dbraw/zinc/42/50/26/567425026.db2.gz WFCVGRSOLPRPJH-KRWDZBQOSA-N 0 0 378.881 3.153 10 30 GGEERN CC(C)(C#N)c1ccc(S(=O)(=O)N2CCN(c3cccs3)CC2)cc1 ZINC000593564091 567425346 /nfs/dbraw/zinc/42/53/46/567425346.db2.gz WMLOZRRSNKNIKC-UHFFFAOYSA-N 0 0 375.519 3.060 10 30 GGEERN CC(C)(C)OC(=O)CCCCNC(=O)Cc1ccc(Br)cc1C#N ZINC000593582340 567425461 /nfs/dbraw/zinc/42/54/61/567425461.db2.gz RYOCLYNNSGZSMG-UHFFFAOYSA-N 0 0 395.297 3.491 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000593571113 567425930 /nfs/dbraw/zinc/42/59/30/567425930.db2.gz AHHORIHIGHRRQX-UHFFFAOYSA-N 0 0 380.466 3.129 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000593582588 567426571 /nfs/dbraw/zinc/42/65/71/567426571.db2.gz DAGGGWBBIGMNNM-CYBMUJFWSA-N 0 0 386.857 3.174 10 30 GGEERN N#Cc1c(F)cc(CNC(=O)c2ccc(I)cc2)cc1F ZINC000550106715 567428246 /nfs/dbraw/zinc/42/82/46/567428246.db2.gz QTLVYQYATROMPR-UHFFFAOYSA-N 0 0 398.150 3.371 10 30 GGEERN CCOc1ccc(Br)cc1S(=O)(=O)NCC1(C#N)CCCC1 ZINC000593621159 567428378 /nfs/dbraw/zinc/42/83/78/567428378.db2.gz OJRZBFQXQLPJHX-UHFFFAOYSA-N 0 0 387.299 3.210 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@H](OCC2CC2)C1 ZINC000593618765 567428487 /nfs/dbraw/zinc/42/84/87/567428487.db2.gz SVELLGQEYDEQKN-KRWDZBQOSA-N 0 0 377.282 3.281 10 30 GGEERN CCC1(CC)CN(C(=O)Cc2ccc(Br)cc2C#N)CC[S@]1=O ZINC000593613356 567428568 /nfs/dbraw/zinc/42/85/68/567428568.db2.gz SNSHNQIVNLXHMV-HSZRJFAPSA-N 0 0 397.338 3.013 10 30 GGEERN N#CC1(CNS(=O)(=O)c2ccc(Br)c(Cl)c2)CCCC1 ZINC000593620195 567428728 /nfs/dbraw/zinc/42/87/28/567428728.db2.gz MGCZTXIFEDYNPM-UHFFFAOYSA-N 0 0 377.691 3.465 10 30 GGEERN N#Cc1cncc(S(=O)(=O)NC2(c3ccccc3Br)CCC2)c1 ZINC000593617573 567428779 /nfs/dbraw/zinc/42/87/79/567428779.db2.gz XWTNEQSZMUAPSH-UHFFFAOYSA-N 0 0 392.278 3.073 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCC3(CC2)C(F)(F)C3(F)F)cc1Cl ZINC000593626937 567429272 /nfs/dbraw/zinc/42/92/72/567429272.db2.gz MXRGWMFIWVVQFY-UHFFFAOYSA-N 0 0 382.766 3.267 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NCc2ccc(Cl)o2)cc1Br ZINC000618984990 567429668 /nfs/dbraw/zinc/42/96/68/567429668.db2.gz WHSWIBQZEFUGDZ-UHFFFAOYSA-N 0 0 375.631 3.046 10 30 GGEERN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC1(C#N)CCCC1 ZINC000593623399 567430191 /nfs/dbraw/zinc/43/01/91/567430191.db2.gz JSCIPXARGUBKAG-ZDUSSCGKSA-N 0 0 386.901 3.116 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC([C@H]2CCCO2)CC1 ZINC000593640972 567430965 /nfs/dbraw/zinc/43/09/65/567430965.db2.gz MEBJFHNJQWTOAW-QGZVFWFLSA-N 0 0 377.282 3.281 10 30 GGEERN Cc1ncc(S(=O)(=O)N2CCc3ccc(Cl)cc3[C@@H](C)C2)cc1C#N ZINC000593638847 567430982 /nfs/dbraw/zinc/43/09/82/567430982.db2.gz NRQQOPOCXYLUDN-LBPRGKRZSA-N 0 0 375.881 3.266 10 30 GGEERN C[C@@](O)(CNC(=O)Cc1ccc(Br)cc1C#N)C1CCCCC1 ZINC000593645939 567431826 /nfs/dbraw/zinc/43/18/26/567431826.db2.gz DCHQZCKOJHULIL-GOSISDBHSA-N 0 0 379.298 3.311 10 30 GGEERN COc1ccc(C[C@@H]2CCCCN2S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593642852 567431832 /nfs/dbraw/zinc/43/18/32/567431832.db2.gz OWZKDZHGHVHRRA-HNNXBMFYSA-N 0 0 376.503 3.414 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CCc2cc(O)ccc2C1 ZINC000593662250 567432696 /nfs/dbraw/zinc/43/26/96/567432696.db2.gz WFQZWNZPTBJVQB-KRWDZBQOSA-N 0 0 385.261 3.243 10 30 GGEERN COc1ccc(Cl)c2c1CCC[C@@H]2N(C)S(=O)(=O)N(C)[C@@H](C)CC#N ZINC000593660188 567432917 /nfs/dbraw/zinc/43/29/17/567432917.db2.gz COPBQJZRLDAGEA-WFASDCNBSA-N 0 0 385.917 3.137 10 30 GGEERN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNCC1(C#N)CCCC1 ZINC000593654620 567433215 /nfs/dbraw/zinc/43/32/15/567433215.db2.gz LDFSRCPWMDRCPU-ZDUSSCGKSA-N 0 0 394.313 3.136 10 30 GGEERN Cc1cc(Br)c(F)cc1NC(=O)C(=O)NCC1(C#N)CCCC1 ZINC000593674296 567434517 /nfs/dbraw/zinc/43/45/17/567434517.db2.gz YLZDUZHTRPHMGU-UHFFFAOYSA-N 0 0 382.233 3.035 10 30 GGEERN CC(C)OC(=O)CC[C@@H](C)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593673391 567434527 /nfs/dbraw/zinc/43/45/27/567434527.db2.gz HIZKIFXMDYAFMQ-GFCCVEGCSA-N 0 0 381.270 3.100 10 30 GGEERN N#CC1(CNC(=O)C(=O)Nc2ccc(Br)cc2Cl)CCCC1 ZINC000593672550 567434724 /nfs/dbraw/zinc/43/47/24/567434724.db2.gz FBTVSXXHKLEGAT-UHFFFAOYSA-N 0 0 384.661 3.241 10 30 GGEERN N#CC1(CNC(=O)C(=O)Nc2cc(Cl)cc(Br)c2)CCCC1 ZINC000593675678 567434997 /nfs/dbraw/zinc/43/49/97/567434997.db2.gz VFRSJYGGNZZFGZ-UHFFFAOYSA-N 0 0 384.661 3.241 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NC[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000593720124 567436182 /nfs/dbraw/zinc/43/61/82/567436182.db2.gz PRZFNXHXRTUFOA-AZUAARDMSA-N 0 0 399.288 3.146 10 30 GGEERN Cn1cc([C@@H]2N(C(=O)Cc3ccc(Br)cc3C#N)CC2(C)C)cn1 ZINC000593708472 567436189 /nfs/dbraw/zinc/43/61/89/567436189.db2.gz XQVKPTYWKWFNKB-KRWDZBQOSA-N 0 0 387.281 3.206 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000593734366 567437289 /nfs/dbraw/zinc/43/72/89/567437289.db2.gz GBJNJDGEJLMZFC-KZNAEPCWSA-N 0 0 391.309 3.405 10 30 GGEERN CC(C)[C@H](CO)[C@@H](NC(=O)Cc1ccc(Br)cc1C#N)C(C)C ZINC000593739988 567437361 /nfs/dbraw/zinc/43/73/61/567437361.db2.gz DZRLGNLJXNLNQO-WMZOPIPTSA-N 0 0 381.314 3.269 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000593740363 567437558 /nfs/dbraw/zinc/43/75/58/567437558.db2.gz VNZNPPGSWWGNFN-ZWKOTPCHSA-N 0 0 391.309 3.263 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000593740336 567437653 /nfs/dbraw/zinc/43/76/53/567437653.db2.gz KWUUYBVSUMEWOA-BBWFWOEESA-N 0 0 377.282 3.015 10 30 GGEERN C[C@H](CN(C)C(=O)Cc1ccc(Br)cc1C#N)C(=O)OC(C)(C)C ZINC000593740077 567437715 /nfs/dbraw/zinc/43/77/15/567437715.db2.gz OUKYLKHHOBBIDH-GFCCVEGCSA-N 0 0 395.297 3.299 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000593743217 567437964 /nfs/dbraw/zinc/43/79/64/567437964.db2.gz DIAZGTNFYOIXSM-ZWKOTPCHSA-N 0 0 385.261 3.198 10 30 GGEERN CC[C@H](C#N)C(=O)N1CC[C@H](Cc2cccc(I)c2)C1 ZINC000593733049 567438001 /nfs/dbraw/zinc/43/80/01/567438001.db2.gz VSNNDRFGHLNOHO-ZIAGYGMSSA-N 0 0 382.245 3.232 10 30 GGEERN N#CC1(CNC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CCCC1 ZINC000593782916 567440232 /nfs/dbraw/zinc/44/02/32/567440232.db2.gz WPIMDGWURKGVFA-HNNXBMFYSA-N 0 0 390.281 3.002 10 30 GGEERN COc1ccc(C(=O)NCC2(C#N)CCCC2)c(I)c1 ZINC000593776293 567440688 /nfs/dbraw/zinc/44/06/88/567440688.db2.gz ZBLRDLMSHQLHIK-UHFFFAOYSA-N 0 0 384.217 3.114 10 30 GGEERN COC(=O)[C@@H](CCF)NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000593807177 567441908 /nfs/dbraw/zinc/44/19/08/567441908.db2.gz HJAWJXPNSJDTML-SNVBAGLBSA-N 0 0 375.240 3.355 10 30 GGEERN N#Cc1cncc(S(=O)(=O)N2CCC[C@H]2c2ccc(Br)s2)c1 ZINC000569891887 567442375 /nfs/dbraw/zinc/44/23/75/567442375.db2.gz SZFDXPVOFZBPIS-LBPRGKRZSA-N 0 0 398.307 3.303 10 30 GGEERN N#Cc1ccc([C@@H](C(N)=O)N2CC3(CC3)c3ccc(Br)cc32)cc1 ZINC000528651048 567444928 /nfs/dbraw/zinc/44/49/28/567444928.db2.gz WZKGSJSWNUOYIP-KRWDZBQOSA-N 0 0 382.261 3.399 10 30 GGEERN C=CCCn1cc(C[S@@](=O)Cc2cc(Cl)c3c(c2)OCCCO3)nn1 ZINC000593934902 567447526 /nfs/dbraw/zinc/44/75/26/567447526.db2.gz RKJDDMHRJBXQPY-VWLOTQADSA-N 0 0 381.885 3.118 10 30 GGEERN N#C[C@H](NC(=O)c1cc(I)ccc1O)c1ccc(F)cc1 ZINC000436736345 567447573 /nfs/dbraw/zinc/44/75/73/567447573.db2.gz GJKJUBYYUJAOQZ-ZDUSSCGKSA-N 0 0 396.159 3.131 10 30 GGEERN C=CCCn1cc(C[S@](=O)Cc2nc(-c3cccc(Cl)c3)no2)nn1 ZINC000593937159 567448063 /nfs/dbraw/zinc/44/80/63/567448063.db2.gz OOCZVOKEYNTRHE-VWLOTQADSA-N 0 0 377.857 3.007 10 30 GGEERN C=CCCn1cc(C[S@](=O)Cc2c(F)ccc(Br)c2F)nn1 ZINC000593937374 567448206 /nfs/dbraw/zinc/44/82/06/567448206.db2.gz 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383.242 3.479 10 30 GGEERN N#Cc1ccc(OCC(=O)N[C@@H](C2CC2)[C@H]2CCCCO2)cc1Br ZINC000594068612 567456764 /nfs/dbraw/zinc/45/67/64/567456764.db2.gz KUXJRKMFJNCFFC-AEFFLSMTSA-N 0 0 393.281 3.163 10 30 GGEERN N#Cc1c(Br)cccc1OCC(=O)N[C@H](C1CC1)[C@H]1CCCCO1 ZINC000594068576 567457257 /nfs/dbraw/zinc/45/72/57/567457257.db2.gz JMBDWJIKYPWIDX-SJLPKXTDSA-N 0 0 393.281 3.163 10 30 GGEERN N#CCc1cccc(S(=O)(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)c1 ZINC000619487509 567458979 /nfs/dbraw/zinc/45/89/79/567458979.db2.gz LLEFYDZCVKFHQK-CQSZACIVSA-N 0 0 383.256 3.471 10 30 GGEERN CC[C@H](C#N)N(C)C(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000594094546 567459126 /nfs/dbraw/zinc/45/91/26/567459126.db2.gz MHAVBPBYIUIYAV-CYBMUJFWSA-N 0 0 388.269 3.281 10 30 GGEERN CC[C@@H](C#N)N(C)C(=O)c1ccc2cc(I)ccc2n1 ZINC000594087175 567459136 /nfs/dbraw/zinc/45/91/36/567459136.db2.gz JNTIHKDPEUORHF-LBPRGKRZSA-N 0 0 379.201 3.214 10 30 GGEERN Cc1ccc2c(ncc(C#N)c2N2C[C@H](O)CC(F)(F)C2)c1Br ZINC000619497747 567460508 /nfs/dbraw/zinc/46/05/08/567460508.db2.gz ICHYJZBECDYBLL-LLVKDONJSA-N 0 0 382.208 3.384 10 30 GGEERN CC(C)(C)O[C@H]1C[C@H](NC(=O)COc2cccc(Br)c2C#N)C1 ZINC000594139940 567461321 /nfs/dbraw/zinc/46/13/21/567461321.db2.gz NBCFVVINCFOVSB-HAQNSBGRSA-N 0 0 381.270 3.162 10 30 GGEERN CC[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)[C@H]1CCCCO1 ZINC000594173646 567463355 /nfs/dbraw/zinc/46/33/55/567463355.db2.gz CSMQUEIOUOQDNY-JKSUJKDBSA-N 0 0 381.270 3.163 10 30 GGEERN N#Cc1cc(C(=O)NCc2ccc(I)cc2Cl)ccn1 ZINC000478504763 567463613 /nfs/dbraw/zinc/46/36/13/567463613.db2.gz CYHFNPOWUHZSNF-UHFFFAOYSA-N 0 0 397.603 3.141 10 30 GGEERN CC(C)OC(=O)C[C@@H](NC(=O)Cc1ccc(Br)cc1C#N)C(C)C ZINC000594164609 567463722 /nfs/dbraw/zinc/46/37/22/567463722.db2.gz WPJPNMNUJQZTKX-MRXNPFEDSA-N 0 0 395.297 3.346 10 30 GGEERN COCCN(CCC#N)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000619541712 567463797 /nfs/dbraw/zinc/46/37/97/567463797.db2.gz VIZIESYOXYDMTQ-UHFFFAOYSA-N 0 0 385.218 3.060 10 30 GGEERN N#Cc1ccc(C(=O)NCc2ccc(I)cc2Cl)[nH]1 ZINC000478524418 567464753 /nfs/dbraw/zinc/46/47/53/567464753.db2.gz WTFJRTSXFRITER-UHFFFAOYSA-N 0 0 385.592 3.074 10 30 GGEERN N#CCCCCC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000594246259 567466537 /nfs/dbraw/zinc/46/65/37/567466537.db2.gz XWEOALSKTAJHEL-ZDUSSCGKSA-N 0 0 393.285 3.105 10 30 GGEERN Cc1cc(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)ncc1C#N ZINC000457461132 567467392 /nfs/dbraw/zinc/46/73/92/567467392.db2.gz RSTQDWUXEIEWBD-AWEZNQCLSA-N 0 0 399.292 3.281 10 30 GGEERN Cc1cc(CNC(=O)Cc2cccc(C#N)c2)ccc1I ZINC000619600404 567467982 /nfs/dbraw/zinc/46/79/82/567467982.db2.gz UQGDJKHQULADMU-UHFFFAOYSA-N 0 0 390.224 3.330 10 30 GGEERN Cc1cc(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)ncc1C#N ZINC000457461134 567468022 /nfs/dbraw/zinc/46/80/22/567468022.db2.gz RSTQDWUXEIEWBD-CQSZACIVSA-N 0 0 399.292 3.281 10 30 GGEERN N#Cc1ccc(CNS(=O)(=O)c2cccc(Br)c2F)c(F)c1 ZINC000619592157 567468587 /nfs/dbraw/zinc/46/85/87/567468587.db2.gz VDSYGSXAPPUMKV-UHFFFAOYSA-N 0 0 387.205 3.077 10 30 GGEERN COc1ncc(Br)cc1Cc1noc(-c2cc(C#N)oc2C)n1 ZINC000570243555 567469004 /nfs/dbraw/zinc/46/90/04/567469004.db2.gz DWFRRCHUBSJWAL-UHFFFAOYSA-N 0 0 375.182 3.267 10 30 GGEERN CN([C@@](C)(C#N)C1CC1)S(=O)(=O)c1cccc(Br)c1Cl ZINC000570612644 567499061 /nfs/dbraw/zinc/49/90/61/567499061.db2.gz JYXWEIGRPUWNGE-ZDUSSCGKSA-N 0 0 377.691 3.415 10 30 GGEERN CCn1c(CNC(=O)NCC(C)(C)C#N)nc2cc(Br)ccc21 ZINC000503128004 567469820 /nfs/dbraw/zinc/46/98/20/567469820.db2.gz ZVPBYEPTIDAPOH-UHFFFAOYSA-N 0 0 378.274 3.168 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1N1CCC[C@H](Cn2ccnn2)C1 ZINC000619651458 567470904 /nfs/dbraw/zinc/47/09/04/567470904.db2.gz JYNJEGRLTKXSAN-ZDUSSCGKSA-N 0 0 397.280 3.377 10 30 GGEERN C[C@@H]1COCCN1CCNc1c(C#N)cnc2c(Br)cccc21 ZINC000619651185 567471456 /nfs/dbraw/zinc/47/14/56/567471456.db2.gz VUOKLKUEOAHDSP-GFCCVEGCSA-N 0 0 375.270 3.002 10 30 GGEERN C=CCOC[C@@H]1NC(=O)N(c2ncc(Cc3cccc(Cl)c3)s2)C1=O ZINC000570303154 567475070 /nfs/dbraw/zinc/47/50/70/567475070.db2.gz XSICEYKYMLUNCK-AWEZNQCLSA-N 0 0 377.853 3.015 10 30 GGEERN CS(=O)(=O)c1csc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)c1 ZINC000503267427 567478847 /nfs/dbraw/zinc/47/88/47/567478847.db2.gz KRXSHYHGJUJTBJ-LLVKDONJSA-N 0 0 389.285 3.453 10 30 GGEERN C[C@]1(C#N)CCCN(S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000619751203 567478947 /nfs/dbraw/zinc/47/89/47/567478947.db2.gz MQXDVCMKKFSJBZ-CYBMUJFWSA-N 0 0 377.691 3.417 10 30 GGEERN N#Cc1cccc(N2CCN(C(=O)Cc3cc(Cl)cc(Cl)c3)CC2)n1 ZINC000529027926 567479400 /nfs/dbraw/zinc/47/94/00/567479400.db2.gz DTMHWIKQKXJWMJ-UHFFFAOYSA-N 0 0 375.259 3.151 10 30 GGEERN C=CC[C@H](CO)NC(=O)c1cc(Br)c(C)cc1Br ZINC000529026747 567479510 /nfs/dbraw/zinc/47/95/10/567479510.db2.gz YIVBBSLAIANMSW-SECBINFHSA-N 0 0 377.076 3.187 10 30 GGEERN C[C@]1(c2ccc(Br)s2)NC(=O)N(CC#Cc2ccccc2)C1=O ZINC000478720192 567479625 /nfs/dbraw/zinc/47/96/25/567479625.db2.gz OBXWOMPKAHYWOG-QGZVFWFLSA-N 0 0 389.274 3.329 10 30 GGEERN N#Cc1sccc1S(=O)(=O)NC1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000594481837 567480275 /nfs/dbraw/zinc/48/02/75/567480275.db2.gz VXXUSGJPTMKUKQ-UHFFFAOYSA-N 0 0 388.392 3.486 10 30 GGEERN CC(C)(C)O[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000594480175 567480507 /nfs/dbraw/zinc/48/05/07/567480507.db2.gz LTCYSFLLLJUABR-HAQNSBGRSA-N 0 0 376.400 3.201 10 30 GGEERN N#CC1(CS(=O)(=O)N2CCOc3cccc(Br)c3C2)CCCC1 ZINC000594481693 567480533 /nfs/dbraw/zinc/48/05/33/567480533.db2.gz OSNNEVFAPAYJCB-UHFFFAOYSA-N 0 0 399.310 3.057 10 30 GGEERN COCCN(Cc1scnc1C)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619767833 567480591 /nfs/dbraw/zinc/48/05/91/567480591.db2.gz HUKXSOZLTLWVIV-UHFFFAOYSA-N 0 0 378.885 3.335 10 30 GGEERN CCn1c(-c2cc(Br)cn2C)nnc1N1Cc2ccc(C#N)cc2C1 ZINC000594483734 567480781 /nfs/dbraw/zinc/48/07/81/567480781.db2.gz FEAGZKRBKMHVQK-UHFFFAOYSA-N 0 0 397.280 3.458 10 30 GGEERN CC(C)(C)OC(=O)CN(C1CCC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000594484358 567480851 /nfs/dbraw/zinc/48/08/51/567480851.db2.gz QJLFLRQCFFCZCR-UHFFFAOYSA-N 0 0 384.885 3.097 10 30 GGEERN N#Cc1cc(Cl)c(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c(Cl)c1 ZINC000619819824 567481461 /nfs/dbraw/zinc/48/14/61/567481461.db2.gz VCQFSTMUUIOUNS-BLLLJJGKSA-N 0 0 383.275 3.163 10 30 GGEERN N#Cc1c(Br)cccc1S(=O)(=O)NC[C@@H]1CCC2(CCCC2)O1 ZINC000594487781 567481761 /nfs/dbraw/zinc/48/17/61/567481761.db2.gz JJQHYBOVFFTZQF-LBPRGKRZSA-N 0 0 399.310 3.091 10 30 GGEERN N#CC1(NC(=O)c2cc(Br)co2)CCN(Cc2ccccc2)CC1 ZINC000457685811 567482207 /nfs/dbraw/zinc/48/22/07/567482207.db2.gz GNCNEMRUHMJRFZ-UHFFFAOYSA-N 0 0 388.265 3.330 10 30 GGEERN N#Cc1cc(Br)cc(S(=O)(=O)NC[C@H]2CCC3(CCCC3)O2)c1 ZINC000594490744 567482304 /nfs/dbraw/zinc/48/23/04/567482304.db2.gz IDVHZJZMZLVUKD-CQSZACIVSA-N 0 0 399.310 3.091 10 30 GGEERN CC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCCCO1 ZINC000594488204 567482366 /nfs/dbraw/zinc/48/23/66/567482366.db2.gz QMXPKYAXRUDETB-KGLIPLIRSA-N 0 0 376.400 3.203 10 30 GGEERN C=CCCn1cc(CSCC(=O)Nc2ccccc2Br)nn1 ZINC000594564542 567484913 /nfs/dbraw/zinc/48/49/13/567484913.db2.gz 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CC(C)O[C@@]1(Cn2cc(C#N)c(=O)c3cc(Br)ccc32)CCOC1 ZINC000594891666 567524086 /nfs/dbraw/zinc/52/40/86/567524086.db2.gz PXICHOAXIQCHDO-GOSISDBHSA-N 0 0 391.265 3.220 10 30 GGEERN CC(C)(C#N)CNC(=O)NCc1ccc(I)cc1Cl ZINC000504143503 567524880 /nfs/dbraw/zinc/52/48/80/567524880.db2.gz KSYJSCLPFTUNMI-UHFFFAOYSA-N 0 0 391.640 3.294 10 30 GGEERN O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)C1CN(CC(F)(F)F)C1 ZINC000504296523 567528253 /nfs/dbraw/zinc/52/82/53/567528253.db2.gz DEGPNXFKNPJWCU-NSHDSACASA-N 0 0 376.247 3.179 10 30 GGEERN N#Cc1ccc(NCC(=O)N[C@H]2CCOc3c(Br)cccc32)cc1 ZINC000504332097 567530993 /nfs/dbraw/zinc/53/09/93/567530993.db2.gz NLOHJGDDIPUXEF-INIZCTEOSA-N 0 0 386.249 3.373 10 30 GGEERN N#CC1(CS(=O)(=O)NC/C=C\c2ccc(Br)cc2)CCCC1 ZINC000571035070 567531502 /nfs/dbraw/zinc/53/15/02/567531502.db2.gz QJEGEPAGLOXNNI-ARJAWSKDSA-N 0 0 383.311 3.466 10 30 GGEERN N#Cc1cccnc1OC1CCC(NC(=O)c2occc2Br)CC1 ZINC000438604234 567538044 /nfs/dbraw/zinc/53/80/44/567538044.db2.gz DDADBIZDVYVSOS-UHFFFAOYSA-N 0 0 390.237 3.429 10 30 GGEERN C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)C1CCC(F)CC1 ZINC000595194875 567546923 /nfs/dbraw/zinc/54/69/23/567546923.db2.gz PEHHROXYYULMGK-ZBOXLXRLSA-N 0 0 396.260 3.292 10 30 GGEERN Cc1c(NC(=O)C(=O)N[C@@H](C(C)C)C2CC2)ccc(Br)c1C#N ZINC000595196589 567547555 /nfs/dbraw/zinc/54/75/55/567547555.db2.gz LYPVOOOQXVOTRN-HNNXBMFYSA-N 0 0 378.270 3.119 10 30 GGEERN N#Cc1ccnc(C(=O)Nc2nc(-c3ccc(Br)cn3)cs2)c1 ZINC000551990819 567547847 /nfs/dbraw/zinc/54/78/47/567547847.db2.gz ATGNNBYQRVRRBM-UHFFFAOYSA-N 0 0 386.234 3.487 10 30 GGEERN CS(=O)(=O)Nc1cccc2c1CCN([C@@H](C#N)c1ccc(Cl)cc1)C2 ZINC000595295810 567551281 /nfs/dbraw/zinc/55/12/81/567551281.db2.gz SOHCHGQDEBQKOR-SFHVURJKSA-N 0 0 375.881 3.334 10 30 GGEERN C[C@@H](C#N)CN(C)C(=O)c1ccc2cc(I)ccc2n1 ZINC000479748955 567555738 /nfs/dbraw/zinc/55/57/38/567555738.db2.gz ONQANHUDQMDPMV-JTQLQIEISA-N 0 0 379.201 3.071 10 30 GGEERN CC(C)[C@H](O)[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000595352211 567557389 /nfs/dbraw/zinc/55/73/89/567557389.db2.gz ANCMQGSPVUKUQM-ROUUACIJSA-N 0 0 378.881 3.248 10 30 GGEERN CC(C)[C@H](O)[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1 ZINC000595353782 567557483 /nfs/dbraw/zinc/55/74/83/567557483.db2.gz MIMYSYXRDZJJPU-ROUUACIJSA-N 0 0 378.881 3.248 10 30 GGEERN CC(C)[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000595355118 567557665 /nfs/dbraw/zinc/55/76/65/567557665.db2.gz SBJVMIYVWSUYQI-ZWKOTPCHSA-N 0 0 378.881 3.248 10 30 GGEERN C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000595358298 567557736 /nfs/dbraw/zinc/55/77/36/567557736.db2.gz SYIPUIMPPDQWPT-LBPRGKRZSA-N 0 0 399.310 3.043 10 30 GGEERN CC(C)[C@@H](O)[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000595352208 567557960 /nfs/dbraw/zinc/55/79/60/567557960.db2.gz ANCMQGSPVUKUQM-QZTJIDSGSA-N 0 0 378.881 3.248 10 30 GGEERN C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000595358296 567558150 /nfs/dbraw/zinc/55/81/50/567558150.db2.gz SYIPUIMPPDQWPT-GFCCVEGCSA-N 0 0 399.310 3.043 10 30 GGEERN C[C@]1(C#N)CCN(S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000595372103 567558656 /nfs/dbraw/zinc/55/86/56/567558656.db2.gz PNJGXGITZBMQNR-GFCCVEGCSA-N 0 0 381.654 3.166 10 30 GGEERN C[C@@]1(C#N)CCN(S(=O)(=O)Cc2cc(Cl)ccc2Br)C1 ZINC000595372348 567558989 /nfs/dbraw/zinc/55/89/89/567558989.db2.gz SWGSFBXTLBPASX-ZDUSSCGKSA-N 0 0 377.691 3.168 10 30 GGEERN C[C@@]1(C#N)CCN(S(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000595366401 567559338 /nfs/dbraw/zinc/55/93/38/567559338.db2.gz JHJWTVJHIPETIR-LBPRGKRZSA-N 0 0 397.216 3.392 10 30 GGEERN CCOC(=O)c1cc2cc(S(=O)(=O)N3CC[C@@](C)(C#N)C3)ccc2s1 ZINC000595371403 567559466 /nfs/dbraw/zinc/55/94/66/567559466.db2.gz FVBVAXKENSBMHA-KRWDZBQOSA-N 0 0 378.475 3.002 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000595384750 567561071 /nfs/dbraw/zinc/56/10/71/567561071.db2.gz MKOWPMGNJQUJKK-HNNXBMFYSA-N 0 0 383.311 3.440 10 30 GGEERN CC(C)(C(=O)Nc1c[nH]cc(Br)c1=O)c1cc(F)cc(C#N)c1 ZINC000552133153 567561645 /nfs/dbraw/zinc/56/16/45/567561645.db2.gz ZNMKELHGMNOVBI-UHFFFAOYSA-N 0 0 378.201 3.064 10 30 GGEERN N#C[C@@H](c1ccc(Br)cc1)N1CCN(Cc2cccc(N)c2)CC1 ZINC000595405713 567562700 /nfs/dbraw/zinc/56/27/00/567562700.db2.gz CJIBJLZXLJYHJW-IBGZPJMESA-N 0 0 385.309 3.414 10 30 GGEERN C[C@@]1(C#N)CCN(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000595465130 567565628 /nfs/dbraw/zinc/56/56/28/567565628.db2.gz FZQHPSJXDQPDGU-KDOFPFPSSA-N 0 0 391.313 3.221 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000439121068 567566303 /nfs/dbraw/zinc/56/63/03/567566303.db2.gz UCPAFGJNWGSIJF-UHFFFAOYSA-N 0 0 387.233 3.330 10 30 GGEERN C[C@]1(C#N)CCN(C(=O)NCc2cc(Br)ccc2OC(F)F)C1 ZINC000595480673 567566937 /nfs/dbraw/zinc/56/69/37/567566937.db2.gz ZFQKKGSWESGPSX-OAHLLOKOSA-N 0 0 388.212 3.496 10 30 GGEERN C[C@@]1(C#N)CCN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000595474451 567566972 /nfs/dbraw/zinc/56/69/72/567566972.db2.gz LSSNITRDAJQGBR-KDOFPFPSSA-N 0 0 391.313 3.221 10 30 GGEERN Cn1cc([C@@H](NCc2ccc(Br)cc2C#N)C2(CO)CCC2)cn1 ZINC000595491224 567568326 /nfs/dbraw/zinc/56/83/26/567568326.db2.gz CADLBSDLCFSFKN-QGZVFWFLSA-N 0 0 389.297 3.048 10 30 GGEERN N#Cc1cc(Cl)cc(Br)c1NCCC(=O)NCc1ccccn1 ZINC000439161048 567568698 /nfs/dbraw/zinc/56/86/98/567568698.db2.gz WISOYCMODSPRSW-UHFFFAOYSA-N 0 0 393.672 3.488 10 30 GGEERN CCc1nn(Cc2ccc(Br)c(F)c2F)c(=O)c(C#N)c1CC ZINC000530104660 567570763 /nfs/dbraw/zinc/57/07/63/567570763.db2.gz PMHQSRJHUOXFHA-UHFFFAOYSA-N 0 0 382.208 3.329 10 30 GGEERN N#CC1(Cn2cnc3c(cnn3-c3cccc(Br)c3)c2=O)CCC1 ZINC000530119035 567571649 /nfs/dbraw/zinc/57/16/49/567571649.db2.gz ISZRFFRXSVBAMV-UHFFFAOYSA-N 0 0 384.237 3.039 10 30 GGEERN C[C@]1(C#N)CCN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000595592064 567572440 /nfs/dbraw/zinc/57/24/40/567572440.db2.gz NTNOEFQLXZAMJG-QGZVFWFLSA-N 0 0 388.269 3.080 10 30 GGEERN CC#CCN(C)C(=O)NCc1ccc(I)cc1Cl ZINC000458751250 567572719 /nfs/dbraw/zinc/57/27/19/567572719.db2.gz URDVNAHBZNNBBJ-UHFFFAOYSA-N 0 0 376.625 3.109 10 30 GGEERN Cc1cc(CNC(=O)N2CC[C@@](C)(C#N)C2)ccc1I ZINC000595604125 567573988 /nfs/dbraw/zinc/57/39/88/567573988.db2.gz DSQVTNMUCMTJAM-HNNXBMFYSA-N 0 0 383.233 3.045 10 30 GGEERN N#Cc1csc(CN2CCN(Cc3ccc(Br)s3)CC2)n1 ZINC000571608185 567575117 /nfs/dbraw/zinc/57/51/17/567575117.db2.gz UANUGWGXTVSUJR-UHFFFAOYSA-N 0 0 383.340 3.157 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)N2CCN(c3ccc(Br)cc3)CC2)C1 ZINC000595640885 567575567 /nfs/dbraw/zinc/57/55/67/567575567.db2.gz WLGQKVPMOOTFLN-HOCLYGCPSA-N 0 0 391.313 3.363 10 30 GGEERN CC(C)(CCC#N)CNC(=O)NCCc1ccc(I)cc1 ZINC000595629484 567575696 /nfs/dbraw/zinc/57/56/96/567575696.db2.gz XZDSOJZHIWQVLU-UHFFFAOYSA-N 0 0 399.276 3.463 10 30 GGEERN COc1cccc(OC(F)(F)F)c1S(=O)(=O)NC1(C#N)CCCCC1 ZINC000530154011 567576249 /nfs/dbraw/zinc/57/62/49/567576249.db2.gz MUDGBDLAYZKXCT-UHFFFAOYSA-N 0 0 378.372 3.099 10 30 GGEERN COc1cccc(OC(F)(F)F)c1S(=O)(=O)N(C)C1(C#N)CCCC1 ZINC000530153573 567576901 /nfs/dbraw/zinc/57/69/01/567576901.db2.gz KPEDKUARJSEZFZ-UHFFFAOYSA-N 0 0 378.372 3.051 10 30 GGEERN C=CCN(CCc1ccco1)C(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000458826642 567576892 /nfs/dbraw/zinc/57/68/92/567576892.db2.gz CWMBKQYALAYGDB-GFCCVEGCSA-N 0 0 379.258 3.333 10 30 GGEERN C=C(C)CCN1C(=O)N[C@@](C)(c2ccc(I)cc2)C1=O ZINC000505508038 567580351 /nfs/dbraw/zinc/58/03/51/567580351.db2.gz VGGXJHDRITYKFS-HNNXBMFYSA-N 0 0 384.217 3.024 10 30 GGEERN CC1(C#N)CCN(C(=O)NCCc2ccc(I)cc2)CC1 ZINC000595825078 567583926 /nfs/dbraw/zinc/58/39/26/567583926.db2.gz UDZOIHYIYMIVAM-UHFFFAOYSA-N 0 0 397.260 3.169 10 30 GGEERN N#C[C@H](NC(=O)c1cccc(C(=O)NC2CC2)c1)c1ccc(Br)cc1 ZINC000439420573 567585678 /nfs/dbraw/zinc/58/56/78/567585678.db2.gz IXMWYINSQMJFKH-KRWDZBQOSA-N 0 0 398.260 3.336 10 30 GGEERN N#Cc1ccc(Cl)c(C(=O)N[C@@H](CO)c2cccc(Br)c2)c1 ZINC000552409040 567587130 /nfs/dbraw/zinc/58/71/30/567587130.db2.gz LUGUZTQSHOLCAA-HNNXBMFYSA-N 0 0 379.641 3.438 10 30 GGEERN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCOc2cc(Br)ccc2C1 ZINC000595877031 567587969 /nfs/dbraw/zinc/58/79/69/567587969.db2.gz NSPMFNHWJKGBBT-FZKQIMNGSA-N 0 0 394.313 3.086 10 30 GGEERN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCOc2cc(Br)ccc2C1 ZINC000595877033 567588684 /nfs/dbraw/zinc/58/86/84/567588684.db2.gz NSPMFNHWJKGBBT-UGSOOPFHSA-N 0 0 394.313 3.086 10 30 GGEERN CC(C)(C)OC(=O)C1(NCc2ccc(C#N)cc2Br)CCOCC1 ZINC000595896581 567589834 /nfs/dbraw/zinc/58/98/34/567589834.db2.gz GZDWZIZIOOXYSG-UHFFFAOYSA-N 0 0 395.297 3.301 10 30 GGEERN C[C@@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](CC(F)(F)F)O1 ZINC000595890448 567590332 /nfs/dbraw/zinc/59/03/32/567590332.db2.gz MIRAEGMOVJAMNP-ZWNOBZJWSA-N 0 0 375.778 3.192 10 30 GGEERN CC(C)(C)OC(=O)C1(NCc2cc(C#N)ccc2Br)CCOCC1 ZINC000595897464 567590528 /nfs/dbraw/zinc/59/05/28/567590528.db2.gz YSQPBICLBPTWBZ-UHFFFAOYSA-N 0 0 395.297 3.301 10 30 GGEERN N#Cc1csc(CN[C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)n1 ZINC000571811591 567590872 /nfs/dbraw/zinc/59/08/72/567590872.db2.gz XUAFLACZOKFMAE-SNVBAGLBSA-N 0 0 387.818 3.450 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)c1nc(-c2cc(Br)c(O)c(OC)c2)no1 ZINC000664851208 567595544 /nfs/dbraw/zinc/59/55/44/567595544.db2.gz TUHGIPBNNXPPHM-GFCCVEGCSA-N 0 0 396.241 3.357 10 30 GGEERN C=CCCC(C)(C)NC(=O)c1sc2c(c1I)CNC2 ZINC000595982332 567595917 /nfs/dbraw/zinc/59/59/17/567595917.db2.gz ILRYAZBTYUODHL-UHFFFAOYSA-N 0 0 390.290 3.431 10 30 GGEERN C[C@H](N[C@@H](C(N)=O)c1cccc(Br)c1)c1ccc(C#N)cc1F ZINC000530366129 567596774 /nfs/dbraw/zinc/59/67/74/567596774.db2.gz NUKWTFAADGLQRV-MGPLVRAMSA-N 0 0 376.229 3.337 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc2nccnc2c1Br ZINC000645008891 567599306 /nfs/dbraw/zinc/59/93/06/567599306.db2.gz CPSMHVSMANEAHI-GWCFXTLKSA-N 0 0 377.242 3.105 10 30 GGEERN C[C@H]1[C@H](C(F)(F)F)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000480431043 567604990 /nfs/dbraw/zinc/60/49/90/567604990.db2.gz YBERBFRPUYWROG-GZMMTYOYSA-N 0 0 397.216 3.282 10 30 GGEERN C=CCOc1ccc(C(=O)N[C@H](C)c2ncc(Br)cn2)cc1OC ZINC000552731183 567605491 /nfs/dbraw/zinc/60/54/91/567605491.db2.gz RAWGOIOXDZDHLU-LLVKDONJSA-N 0 0 392.253 3.304 10 30 GGEERN C[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ncc(Br)cn1 ZINC000552731904 567605517 /nfs/dbraw/zinc/60/55/17/567605517.db2.gz CYVRWNVKTWIZMI-LLVKDONJSA-N 0 0 389.253 3.146 10 30 GGEERN N#Cc1ccnc(C(=O)NCc2cc(Br)ccc2Br)c1 ZINC000505993640 567606395 /nfs/dbraw/zinc/60/63/95/567606395.db2.gz UGBTVUNMEXFHIV-UHFFFAOYSA-N 0 0 395.054 3.408 10 30 GGEERN C=CCN(CCC#N)C(=O)c1cc(I)c(F)cc1F ZINC000552758295 567608700 /nfs/dbraw/zinc/60/87/00/567608700.db2.gz DJDFGHKLMWRLPK-UHFFFAOYSA-N 0 0 376.144 3.111 10 30 GGEERN CN(Cc1ccc(Br)o1)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000440047018 567612481 /nfs/dbraw/zinc/61/24/81/567612481.db2.gz DXGDRWJAWVLHEY-UHFFFAOYSA-N 0 0 387.230 3.015 10 30 GGEERN COc1cc(OC)cc(N2CC[C@H](CNc3nc(C#N)c(Cl)s3)C2)c1 ZINC000596156175 567612753 /nfs/dbraw/zinc/61/27/53/567612753.db2.gz GNNCKPZLTPNOOG-LLVKDONJSA-N 0 0 378.885 3.046 10 30 GGEERN CN(CCOc1ccc(Cl)cc1)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000440043572 567613224 /nfs/dbraw/zinc/61/32/24/567613224.db2.gz IMFQRZLKKMIVIC-UHFFFAOYSA-N 0 0 382.844 3.191 10 30 GGEERN Cc1cc(C#N)nc(NCC2(c3cccc(Br)c3)CCOCC2)n1 ZINC000552952907 567617711 /nfs/dbraw/zinc/61/77/11/567617711.db2.gz VRPPZLMSDKJJGT-UHFFFAOYSA-N 0 0 387.281 3.001 10 30 GGEERN COc1ccc(I)c(NC(=O)Cc2cccc(C#N)c2)c1 ZINC000530670628 567618268 /nfs/dbraw/zinc/61/82/68/567618268.db2.gz RJAZYKNFADGTGB-UHFFFAOYSA-N 0 0 392.196 3.353 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000480686199 567620874 /nfs/dbraw/zinc/62/08/74/567620874.db2.gz CRYMQAQLXVDHBF-GXTWGEPZSA-N 0 0 378.391 3.485 10 30 GGEERN COc1ccc(CCNS(=O)(=O)Cc2ccc(C#N)cc2F)c(Cl)c1 ZINC000480694894 567620997 /nfs/dbraw/zinc/62/09/97/567620997.db2.gz BSDHZOFEMCIMFB-UHFFFAOYSA-N 0 0 382.844 3.021 10 30 GGEERN Cc1cc(Br)ccc1CNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000480705516 567622787 /nfs/dbraw/zinc/62/27/87/567622787.db2.gz DSDRUEDQNBRVMN-UHFFFAOYSA-N 0 0 397.269 3.388 10 30 GGEERN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)C[C@H](OC)C1CCOCC1 ZINC000645436436 567625171 /nfs/dbraw/zinc/62/51/71/567625171.db2.gz IHVBXMOJBQVLAD-HNNXBMFYSA-N 0 0 393.958 3.161 10 30 GGEERN N#Cc1sccc1N1CCN(c2nc(C3CC3)ncc2Br)CC1 ZINC000596351906 567626558 /nfs/dbraw/zinc/62/65/58/567626558.db2.gz AVTHNERHIUDOHQ-UHFFFAOYSA-N 0 0 390.310 3.376 10 30 GGEERN N#Cc1cccc(CC(=O)NCCc2ccc(I)s2)c1 ZINC000530913904 567631213 /nfs/dbraw/zinc/63/12/13/567631213.db2.gz DEPBRGNSDICWLS-UHFFFAOYSA-N 0 0 396.253 3.126 10 30 GGEERN CCc1nc(C#N)cc(N[C@H]2CSCc3ccc(Br)cc32)n1 ZINC000596466494 567634856 /nfs/dbraw/zinc/63/48/56/567634856.db2.gz CUESJAHHCFNCSU-AWEZNQCLSA-N 0 0 375.295 3.495 10 30 GGEERN CCOC1CC(O)(CNc2c(C#N)cnc3c(Br)cccc32)C1 ZINC000440637843 567635937 /nfs/dbraw/zinc/63/59/37/567635937.db2.gz OURJFCNUCRFHJX-UHFFFAOYSA-N 0 0 376.254 3.211 10 30 GGEERN Cn1cc(C#N)cc1C(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000596470368 567636289 /nfs/dbraw/zinc/63/62/89/567636289.db2.gz COZITKKNBHOFBO-CQSZACIVSA-N 0 0 376.279 3.377 10 30 GGEERN Cc1nsc(NC(=O)N[C@@H](CCO)c2ccccc2Br)c1C#N ZINC000459556337 567636294 /nfs/dbraw/zinc/63/62/94/567636294.db2.gz FVDKVNYWJSPQMZ-ZDUSSCGKSA-N 0 0 395.282 3.331 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1NC[C@@H](O)COCC1CC1 ZINC000440647276 567636494 /nfs/dbraw/zinc/63/64/94/567636494.db2.gz UGUZYAVVIHKXQX-CYBMUJFWSA-N 0 0 376.254 3.068 10 30 GGEERN C[C@@H](CCc1ccc(I)cc1)Nc1cnc(C#N)cn1 ZINC000480850019 567636499 /nfs/dbraw/zinc/63/64/99/567636499.db2.gz GANQWSDXXNIUSJ-NSHDSACASA-N 0 0 378.217 3.386 10 30 GGEERN CCOCCN1CCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000440649117 567637055 /nfs/dbraw/zinc/63/70/55/567637055.db2.gz FXGVIKDPCGUTEG-UHFFFAOYSA-N 0 0 389.297 3.027 10 30 GGEERN CCS(=O)(=O)C1(CNc2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000596521406 567637163 /nfs/dbraw/zinc/63/71/63/567637163.db2.gz PNCZDKSOAWAYDH-UHFFFAOYSA-N 0 0 394.294 3.248 10 30 GGEERN C[C@@H](Nc1c(C#N)cnc2c(Br)cccc21)[C@@H](C)N1CCOCC1 ZINC000440650561 567637166 /nfs/dbraw/zinc/63/71/66/567637166.db2.gz TZNGPQPLAKIMDS-CHWSQXEVSA-N 0 0 389.297 3.390 10 30 GGEERN C[C@@H](Nc1c(C#N)cnc2c(Br)cccc21)[C@H](C)N1CCOCC1 ZINC000440650562 567637340 /nfs/dbraw/zinc/63/73/40/567637340.db2.gz TZNGPQPLAKIMDS-OLZOCXBDSA-N 0 0 389.297 3.390 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1NCCNC(=O)c1cccnc1 ZINC000440654006 567637377 /nfs/dbraw/zinc/63/73/77/567637377.db2.gz REFTZXGONMOXOF-UHFFFAOYSA-N 0 0 396.248 3.106 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1NCCCO[C@@H]1CCOC1 ZINC000440662834 567638162 /nfs/dbraw/zinc/63/81/62/567638162.db2.gz GZQKNZCQDHCTSZ-CYBMUJFWSA-N 0 0 376.254 3.476 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1N1CC[C@@H](CN2CCCC2=O)C1 ZINC000596526297 567638900 /nfs/dbraw/zinc/63/89/00/567638900.db2.gz ZAMPKCKEVCHDPY-ZDUSSCGKSA-N 0 0 399.292 3.318 10 30 GGEERN CS(=O)(=O)[C@@H]1CCCN(c2c(Br)cc(Cl)cc2C#N)CC1 ZINC000553250411 567639474 /nfs/dbraw/zinc/63/94/74/567639474.db2.gz YYUQEZJJVCEFEO-GFCCVEGCSA-N 0 0 391.718 3.378 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1N1CCC(O)(C(F)F)CC1 ZINC000440677820 567639466 /nfs/dbraw/zinc/63/94/66/567639466.db2.gz XXRBGYJAZKJBCO-UHFFFAOYSA-N 0 0 382.208 3.465 10 30 GGEERN COC(=O)c1sc2c(c1Br)CN(c1ccc(C)c(C#N)n1)C2 ZINC000596566882 567641127 /nfs/dbraw/zinc/64/11/27/567641127.db2.gz NJIZYHOVDKDJJN-UHFFFAOYSA-N 0 0 378.251 3.393 10 30 GGEERN COC(=O)c1sc2c(c1Br)CN(c1nccc(C)c1C#N)C2 ZINC000596567973 567641417 /nfs/dbraw/zinc/64/14/17/567641417.db2.gz XALUSSFNJPXTOQ-UHFFFAOYSA-N 0 0 378.251 3.393 10 30 GGEERN CCn1c(CNC(=O)N2CC[C@](C)(C#N)C2)nc2cc(Br)ccc21 ZINC000596582292 567641695 /nfs/dbraw/zinc/64/16/95/567641695.db2.gz GYLLJKXXONSXNL-QGZVFWFLSA-N 0 0 390.285 3.264 10 30 GGEERN C[C@H]1C[C@H](NC(=O)NCC2(C#N)CCCCC2)c2ccsc2S1(=O)=O ZINC000596602588 567642322 /nfs/dbraw/zinc/64/23/22/567642322.db2.gz MVFFVPHXZNSVPF-JSGCOSHPSA-N 0 0 381.523 3.128 10 30 GGEERN COc1nc(C)c(Br)cc1-c1noc(CC2(C#N)CCOCC2)n1 ZINC000596597436 567642737 /nfs/dbraw/zinc/64/27/37/567642737.db2.gz RZPDLGORQUZYGI-UHFFFAOYSA-N 0 0 393.241 3.074 10 30 GGEERN COc1ccc(Br)cc1-c1noc(CC2(C#N)CCOCC2)n1 ZINC000596584878 567642854 /nfs/dbraw/zinc/64/28/54/567642854.db2.gz AORYOWXEDDZZPF-UHFFFAOYSA-N 0 0 378.226 3.371 10 30 GGEERN CO[C@@H](c1noc(CC2(C#N)CCOCC2)n1)c1ccccc1Br ZINC000596600065 567643062 /nfs/dbraw/zinc/64/30/62/567643062.db2.gz BMIRVNVKFDKAJS-OAHLLOKOSA-N 0 0 392.253 3.431 10 30 GGEERN COc1cc(Br)c(CNC(=O)Cc2cccc(C#N)c2)cc1OC ZINC000531151860 567643979 /nfs/dbraw/zinc/64/39/79/567643979.db2.gz CZVNJEDNBQRMOL-UHFFFAOYSA-N 0 0 389.249 3.197 10 30 GGEERN C[C@@H](NC(=O)NC(C)(C)c1cccc(C#N)c1)c1ncc(Br)cn1 ZINC000596606720 567644479 /nfs/dbraw/zinc/64/44/79/567644479.db2.gz VHMVDKKNAOOIBZ-LLVKDONJSA-N 0 0 388.269 3.406 10 30 GGEERN C[C@@]1(C#N)CCN(C(=O)NCCc2c[nH]c3cccc(Br)c23)C1 ZINC000596604566 567644518 /nfs/dbraw/zinc/64/45/18/567644518.db2.gz JRNHTNKVODTDRP-KRWDZBQOSA-N 0 0 375.270 3.418 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)N[C@@H](CCOC)COC ZINC000459655623 567646036 /nfs/dbraw/zinc/64/60/36/567646036.db2.gz DRWZTFHWIXDOBL-ZDUSSCGKSA-N 0 0 387.274 3.187 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)N(CCO)[C@@H]1CCO[C@@H]1C ZINC000459658483 567646988 /nfs/dbraw/zinc/64/69/88/567646988.db2.gz KNJAODCFUDUVLV-IUODEOHRSA-N 0 0 399.285 3.018 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(C)c(I)c1 ZINC000596644910 567647170 /nfs/dbraw/zinc/64/71/70/567647170.db2.gz ATFPRHJNYUGFEB-CQSZACIVSA-N 0 0 386.233 3.009 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000459661545 567647453 /nfs/dbraw/zinc/64/74/53/567647453.db2.gz REQKMFHWXBLYJZ-LBPRGKRZSA-N 0 0 396.285 3.098 10 30 GGEERN C[C@H](C#N)CN(C)C(=O)NCc1cc(Cl)ccc1I ZINC000596673909 567647747 /nfs/dbraw/zinc/64/77/47/567647747.db2.gz OAQKIVRHYNUGIQ-SECBINFHSA-N 0 0 391.640 3.246 10 30 GGEERN C[C@@]1(C#N)CCN(C(=O)Nc2cc(F)c(I)c(F)c2)C1 ZINC000596711515 567649557 /nfs/dbraw/zinc/64/95/57/567649557.db2.gz LJKVQOXIWBOMKC-ZDUSSCGKSA-N 0 0 391.159 3.337 10 30 GGEERN C=CCN(C(=O)Nc1nc(CC)c(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000459683722 567649783 /nfs/dbraw/zinc/64/97/83/567649783.db2.gz BRLHFNXPUASBOW-GFCCVEGCSA-N 0 0 385.555 3.210 10 30 GGEERN CCS(=O)(=O)C1(CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000596736386 567652183 /nfs/dbraw/zinc/65/21/83/567652183.db2.gz URSOLPBGTLPELX-ZDUSSCGKSA-N 0 0 381.523 3.170 10 30 GGEERN COc1ccc(CNC(=O)[C@H](C)Oc2ccccc2C#N)cc1Br ZINC000506990726 567652539 /nfs/dbraw/zinc/65/25/39/567652539.db2.gz OPWMDJLYDSQILX-LBPRGKRZSA-N 0 0 389.249 3.413 10 30 GGEERN N#Cc1ccc(OCC(=O)NC[C@@H]2CC23CCSCC3)cc1Br ZINC000572629734 567653341 /nfs/dbraw/zinc/65/33/41/567653341.db2.gz WWYZQQLBAWOSPF-ZDUSSCGKSA-N 0 0 395.322 3.349 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)N[C@@H]2CCOc3c(Cl)cccc32)c(F)c1 ZINC000481031003 567653388 /nfs/dbraw/zinc/65/33/88/567653388.db2.gz BHOKTQVBDAPQFH-MRXNPFEDSA-N 0 0 380.828 3.294 10 30 GGEERN COc1ccc(CNC(=O)[C@@H](C)Oc2ccccc2C#N)cc1Br ZINC000506990704 567653273 /nfs/dbraw/zinc/65/32/73/567653273.db2.gz OPWMDJLYDSQILX-GFCCVEGCSA-N 0 0 389.249 3.413 10 30 GGEERN C=CCN(C(=O)Nc1ccc(Br)cc1C(=O)OC)[C@H](C)COC ZINC000596804446 567654432 /nfs/dbraw/zinc/65/44/32/567654432.db2.gz AACILASNISOBGE-LLVKDONJSA-N 0 0 385.258 3.291 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)N1CCC(C(=O)NC)CC1 ZINC000459723684 567654687 /nfs/dbraw/zinc/65/46/87/567654687.db2.gz YCURRJVOKRTLLH-UHFFFAOYSA-N 0 0 396.285 3.004 10 30 GGEERN N#C[C@@]1(F)CCN(C(=O)N[C@H]2CSCc3ccc(Br)cc32)C1 ZINC000596802337 567654982 /nfs/dbraw/zinc/65/49/82/567654982.db2.gz YDVRNQXNRZDCGO-ZFWWWQNUSA-N 0 0 384.274 3.384 10 30 GGEERN CC[C@@H](NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)c1nccs1 ZINC000481064672 567655617 /nfs/dbraw/zinc/65/56/17/567655617.db2.gz XYRHYDFBLWZMLX-BXUZGUMPSA-N 0 0 378.479 3.102 10 30 GGEERN N#Cc1cnc(N[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)cn1 ZINC000481060392 567655972 /nfs/dbraw/zinc/65/59/72/567655972.db2.gz NCKCXUAEOPSKIU-LBPRGKRZSA-N 0 0 387.159 3.275 10 30 GGEERN C=CCOCCCNC(=O)Nc1cccc(F)c1I ZINC000596809236 567656331 /nfs/dbraw/zinc/65/63/31/567656331.db2.gz IGOCZKYZLGJXLW-UHFFFAOYSA-N 0 0 378.185 3.145 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000622778157 567656429 /nfs/dbraw/zinc/65/64/29/567656429.db2.gz VXKGETKWPRSIQA-QGZVFWFLSA-N 0 0 379.298 3.411 10 30 GGEERN N#Cc1cc(Cl)cc(Br)c1NC[C@H]1CCCS(=O)(=O)C1 ZINC000572676282 567656616 /nfs/dbraw/zinc/65/66/16/567656616.db2.gz VRVNONKULVXBNX-SECBINFHSA-N 0 0 377.691 3.211 10 30 GGEERN N#Cc1cccc(CC(=O)Nc2n[nH]c(-c3ccc(Br)cc3)n2)c1 ZINC000531385506 567657185 /nfs/dbraw/zinc/65/71/85/567657185.db2.gz MDQXIGQMZQJGMJ-UHFFFAOYSA-N 0 0 382.221 3.287 10 30 GGEERN N#Cc1cc(Cl)cc(Br)c1NC[C@@H]1CCCS(=O)(=O)C1 ZINC000572676283 567658055 /nfs/dbraw/zinc/65/80/55/567658055.db2.gz VRVNONKULVXBNX-VIFPVBQESA-N 0 0 377.691 3.211 10 30 GGEERN N#CC[C@@]1(O)CCN(C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000596855839 567658117 /nfs/dbraw/zinc/65/81/17/567658117.db2.gz YQRGPGUWERAIOP-GFCCVEGCSA-N 0 0 375.313 3.100 10 30 GGEERN C=CCOCCCNC(=O)Nc1ccc(Br)c(C(=O)OC)c1C ZINC000596872463 567659443 /nfs/dbraw/zinc/65/94/43/567659443.db2.gz WDJTUTPUFLRURA-UHFFFAOYSA-N 0 0 385.258 3.258 10 30 GGEERN N#CC1(CNC(=O)N[C@@H](CO)c2cccc(Br)c2)CCCCC1 ZINC000596861561 567659956 /nfs/dbraw/zinc/65/99/56/567659956.db2.gz MNCNQYCNRXJJTP-HNNXBMFYSA-N 0 0 380.286 3.256 10 30 GGEERN C=CCOCCCNC(=O)Nc1ccc(OC)cc1I ZINC000596876491 567661168 /nfs/dbraw/zinc/66/11/68/567661168.db2.gz MMKAYYGEURHMFC-UHFFFAOYSA-N 0 0 390.221 3.014 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(Br)cc2nc(C)oc21 ZINC000622847020 567661811 /nfs/dbraw/zinc/66/18/11/567661811.db2.gz DUYKOGVDVNBWSK-AWEZNQCLSA-N 0 0 380.242 3.308 10 30 GGEERN COC(=O)c1cc(NC(=O)N2CC[C@@](C)(C#N)C2)c(C)cc1Br ZINC000596906116 567663382 /nfs/dbraw/zinc/66/33/82/567663382.db2.gz WHLZYXOAGHTHGS-INIZCTEOSA-N 0 0 380.242 3.312 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(F)c(Br)cc1OCC ZINC000622875067 567663864 /nfs/dbraw/zinc/66/38/64/567663864.db2.gz PDBVAAATGPGAOJ-AWEZNQCLSA-N 0 0 387.249 3.396 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)[C@@H](CC(=C)C)NC(C)=O ZINC000622883931 567664097 /nfs/dbraw/zinc/66/40/97/567664097.db2.gz RGDRUAMTWZHDKY-OAHLLOKOSA-N 0 0 381.270 3.423 10 30 GGEERN N#CC[C@@]1(O)CCN(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)C1 ZINC000596929855 567665516 /nfs/dbraw/zinc/66/55/16/567665516.db2.gz ZWTKFJMTYYJXOD-SJLPKXTDSA-N 0 0 392.297 3.277 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000645764430 567665930 /nfs/dbraw/zinc/66/59/30/567665930.db2.gz CZCSDFAYMMCVRZ-ONGXEEELSA-N 0 0 385.791 3.108 10 30 GGEERN C=CCCSCCNC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 ZINC000596935623 567666624 /nfs/dbraw/zinc/66/66/24/567666624.db2.gz HJSCNNFFXALYRV-UHFFFAOYSA-N 0 0 385.555 3.194 10 30 GGEERN COC(=O)c1cc(Br)cc(NC(=O)N2CC[C@](C)(C#N)C2)c1C ZINC000596932168 567666716 /nfs/dbraw/zinc/66/67/16/567666716.db2.gz QDPZEMALNBKXGX-MRXNPFEDSA-N 0 0 380.242 3.312 10 30 GGEERN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@]1(COC)CCOC1 ZINC000460062578 567671002 /nfs/dbraw/zinc/67/10/02/567671002.db2.gz QCMQLXLFKBHARN-KRWDZBQOSA-N 0 0 386.261 3.156 10 30 GGEERN Cn1c(C#N)ccc1C(=O)N(C[C@H]1CCCO1)c1ccc(Br)cc1 ZINC000460024728 567671172 /nfs/dbraw/zinc/67/11/72/567671172.db2.gz FFJLJCGVENNELB-MRXNPFEDSA-N 0 0 388.265 3.485 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)c1nc2cc(Br)ccc2s1 ZINC000622961570 567672882 /nfs/dbraw/zinc/67/28/82/567672882.db2.gz VJWWIGKSIIYYAE-CYBMUJFWSA-N 0 0 396.310 3.493 10 30 GGEERN CC(C)(CNS(=O)(=O)c1cc(Br)cc(C#N)c1)C(F)(F)F ZINC000572902126 567673828 /nfs/dbraw/zinc/67/38/28/567673828.db2.gz IZIPGDOSQVYVGE-UHFFFAOYSA-N 0 0 385.205 3.188 10 30 GGEERN C[C@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)COCc1ccccc1 ZINC000507286595 567673919 /nfs/dbraw/zinc/67/39/19/567673919.db2.gz VWTUPDKFWYPLAU-CQSZACIVSA-N 0 0 378.881 3.343 10 30 GGEERN C[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)COCc1ccccc1 ZINC000507286594 567674352 /nfs/dbraw/zinc/67/43/52/567674352.db2.gz VWTUPDKFWYPLAU-AWEZNQCLSA-N 0 0 378.881 3.343 10 30 GGEERN C=CC[C@H](CO)CNC(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000666401791 567674850 /nfs/dbraw/zinc/67/48/50/567674850.db2.gz OXHSDZBYZJMVSF-XHDPSFHLSA-N 0 0 385.327 3.221 10 30 GGEERN CCOC(=O)c1csc(C2CCN(C(=O)c3cscc3C#N)CC2)n1 ZINC000507334540 567675616 /nfs/dbraw/zinc/67/56/16/567675616.db2.gz QACKLHUYUSKISP-UHFFFAOYSA-N 0 0 375.475 3.273 10 30 GGEERN C[C@@H](C#N)CN(C(=O)C(=O)Nc1ccc(Br)cc1Cl)C1CC1 ZINC000441911076 567677611 /nfs/dbraw/zinc/67/76/11/567677611.db2.gz DWGZWZKLQAYANL-VIFPVBQESA-N 0 0 384.661 3.192 10 30 GGEERN CCOc1c(Cl)cc(NC(=O)C(=O)N(C[C@H](C)C#N)C2CC2)cc1Cl ZINC000441912845 567677878 /nfs/dbraw/zinc/67/78/78/567677878.db2.gz RMMVWCZFMKPNOA-SNVBAGLBSA-N 0 0 384.263 3.481 10 30 GGEERN Cc1cc(Br)cc(C)c1NC(=O)C(=O)N(C[C@H](C)C#N)C1CC1 ZINC000441923424 567677940 /nfs/dbraw/zinc/67/79/40/567677940.db2.gz KEWILLJWSGPNGX-SNVBAGLBSA-N 0 0 378.270 3.155 10 30 GGEERN COC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccc(C#N)cc2)cc1Cl ZINC000441967690 567679650 /nfs/dbraw/zinc/67/96/50/567679650.db2.gz HXYNNGOFMNZUCC-LLVKDONJSA-N 0 0 378.837 3.038 10 30 GGEERN C[C@H](CC#N)C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000597062107 567680053 /nfs/dbraw/zinc/68/00/53/567680053.db2.gz CZLVTKCKKVJAPX-GFCCVEGCSA-N 0 0 378.270 3.176 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Br)cc2)o1 ZINC000553758289 567680467 /nfs/dbraw/zinc/68/04/67/567680467.db2.gz DDNAKMBZJRNWJX-AWEZNQCLSA-N 0 0 381.251 3.440 10 30 GGEERN N#Cc1ccc(OCCNC(=O)c2csc(I)c2)cc1 ZINC000460260682 567681899 /nfs/dbraw/zinc/68/18/99/567681899.db2.gz IQPQJJPHTRDNPJ-UHFFFAOYSA-N 0 0 398.225 3.033 10 30 GGEERN N#Cc1ccc(OCCNC(=O)COc2ccc(F)cc2Br)cc1 ZINC000460269681 567682120 /nfs/dbraw/zinc/68/21/20/567682120.db2.gz LFVUJBFVBZNGGL-UHFFFAOYSA-N 0 0 393.212 3.034 10 30 GGEERN CCc1ccc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)s1 ZINC000507506882 567682996 /nfs/dbraw/zinc/68/29/96/567682996.db2.gz FSKOTZWSLUSYBL-UHFFFAOYSA-N 0 0 376.503 3.414 10 30 GGEERN C=CCN(CC=C)C(=O)CNC1(c2cc(Br)ccc2OC)CC1 ZINC000645974754 567686091 /nfs/dbraw/zinc/68/60/91/567686091.db2.gz ZKRBACVUVFYWPN-UHFFFAOYSA-N 0 0 379.298 3.237 10 30 GGEERN N#Cc1c(F)cc(C(=O)N2CCC(n3cc(Br)cn3)CC2)cc1F ZINC000597201605 567688721 /nfs/dbraw/zinc/68/87/21/567688721.db2.gz YZLLYTAPPLXZFE-UHFFFAOYSA-N 0 0 395.207 3.273 10 30 GGEERN CCn1c(CNC(=O)c2ccc(C#N)c(C)n2)nc2cc(Br)ccc21 ZINC000481599559 567690571 /nfs/dbraw/zinc/69/05/71/567690571.db2.gz PIOMVVHGVLGOPR-UHFFFAOYSA-N 0 0 398.264 3.324 10 30 GGEERN N#CC1(CS(=O)(=O)NCc2ccccc2OC(F)(F)F)CCCCC1 ZINC000460473992 567690577 /nfs/dbraw/zinc/69/05/77/567690577.db2.gz WGISWRTVBAUVTP-UHFFFAOYSA-N 0 0 376.400 3.479 10 30 GGEERN C[C@H](CNC(=O)CC1(C#N)CCOCC1)Oc1cccc(Br)c1 ZINC000597312042 567693975 /nfs/dbraw/zinc/69/39/75/567693975.db2.gz XBEJWMSZTWNNEN-CYBMUJFWSA-N 0 0 381.270 3.043 10 30 GGEERN N#CC1(CC(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)CCOCC1 ZINC000597309826 567693983 /nfs/dbraw/zinc/69/39/83/567693983.db2.gz GDJBDVFRHNNDBR-UHFFFAOYSA-N 0 0 376.869 3.431 10 30 GGEERN C=CCn1c(=O)c2c3c(sc2nc1SC[C@@H](O)C(F)(F)F)CCC3 ZINC000460594838 567693971 /nfs/dbraw/zinc/69/39/71/567693971.db2.gz XZGVRSADVHYQIE-SNVBAGLBSA-N 0 0 376.425 3.148 10 30 GGEERN CC(C)(C)n1cc(Br)c(C(=O)NCCOc2ccc(C#N)cc2)n1 ZINC000597299767 567694523 /nfs/dbraw/zinc/69/45/23/567694523.db2.gz CWZRIGWRTOEJEG-UHFFFAOYSA-N 0 0 391.269 3.081 10 30 GGEERN COc1cc(CNC(=O)c2ccccc2I)ccc1C#N ZINC000460593383 567694607 /nfs/dbraw/zinc/69/46/07/567694607.db2.gz ZGROHFXHYJBUHM-UHFFFAOYSA-N 0 0 392.196 3.101 10 30 GGEERN C=C(C)Cn1c(C)nnc1N1Cc2sc(C(=O)OC)c(Br)c2C1 ZINC000597305969 567694640 /nfs/dbraw/zinc/69/46/40/567694640.db2.gz KADZFRRPBZLQDS-UHFFFAOYSA-N 0 0 397.298 3.293 10 30 GGEERN N#Cc1c(Br)cccc1S(=O)(=O)N(CC(F)F)CC1CCC1 ZINC000553873079 567694767 /nfs/dbraw/zinc/69/47/67/567694767.db2.gz YQMQNKBIUXIYMX-UHFFFAOYSA-N 0 0 393.253 3.377 10 30 GGEERN N#CC1(CC(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[nH][nH]2)CCOCC1 ZINC000597365495 567696402 /nfs/dbraw/zinc/69/64/02/567696402.db2.gz MNIRZFMREAGDKE-UHFFFAOYSA-N 0 0 379.247 3.454 10 30 GGEERN N#CC1(CC(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000597407215 567696785 /nfs/dbraw/zinc/69/67/85/567696785.db2.gz GAJKXDGVGJJNJS-UHFFFAOYSA-N 0 0 385.291 3.415 10 30 GGEERN N#CC1(CC(=O)N2CCc3c(F)cc(Br)cc3C2)CCOCC1 ZINC000597381206 567697623 /nfs/dbraw/zinc/69/76/23/567697623.db2.gz NSVCSEUDSGZVBX-UHFFFAOYSA-N 0 0 381.245 3.183 10 30 GGEERN N#CCc1ccnc(NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)c1 ZINC000597389077 567697690 /nfs/dbraw/zinc/69/76/90/567697690.db2.gz KLPAQLZNYDHMRQ-ZBFHGGJFSA-N 0 0 387.237 3.021 10 30 GGEERN N#CC1(CC(=O)NCCc2cc(Cl)ccc2Br)CCOCC1 ZINC000597412459 567698196 /nfs/dbraw/zinc/69/81/96/567698196.db2.gz DFTUWOUSOKDNQV-UHFFFAOYSA-N 0 0 385.689 3.472 10 30 GGEERN CC#CC[C@H](CO)NC(=O)Nc1cc(Cl)cc(Br)c1OCC ZINC000646195997 567699214 /nfs/dbraw/zinc/69/92/14/567699214.db2.gz RUDIKNSUYQHSFE-LLVKDONJSA-N 0 0 389.677 3.397 10 30 GGEERN CCn1c2cc(Br)ccc2nc1NC(=O)CC1(C#N)CCOCC1 ZINC000597466346 567699657 /nfs/dbraw/zinc/69/96/57/567699657.db2.gz NFAPBLAZWIHDPN-UHFFFAOYSA-N 0 0 391.269 3.468 10 30 GGEERN Cc1cc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)ccc1-n1cncn1 ZINC000460756808 567701195 /nfs/dbraw/zinc/70/11/95/567701195.db2.gz 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C[C@H](CC#N)C(=O)NCc1ccc(NC(=O)[C@@H](C)CC#N)cc1Br ZINC000597681089 567711237 /nfs/dbraw/zinc/71/12/37/567711237.db2.gz WCWVEWWVPUQXFB-NEPJUHHUSA-N 0 0 391.269 3.103 10 30 GGEERN N#Cc1cscc1C(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000597680770 567711292 /nfs/dbraw/zinc/71/12/92/567711292.db2.gz QYPVCMUXVMBNDK-GFCCVEGCSA-N 0 0 378.251 3.071 10 30 GGEERN C=CCN(C(=O)[C@@H]1CC[C@@H]1c1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000573413511 567711444 /nfs/dbraw/zinc/71/14/44/567711444.db2.gz AMBTXEULAWGBNQ-SQWLQELKSA-N 0 0 385.888 3.174 10 30 GGEERN N#CC1(CC(=O)NC2(Cc3ccccc3Br)CC2)CCOCC1 ZINC000597686300 567711530 /nfs/dbraw/zinc/71/15/30/567711530.db2.gz CCLZVIVDBDBIEO-UHFFFAOYSA-N 0 0 377.282 3.351 10 30 GGEERN Cc1ccc(-c2nnc(Cn3c(C)c(Br)cc(C#N)c3=O)o2)cc1 ZINC000460953948 567712178 /nfs/dbraw/zinc/71/21/78/567712178.db2.gz FRVQFWIIPIDSGO-UHFFFAOYSA-N 0 0 385.221 3.198 10 30 GGEERN C[C@@H](CC#N)C(=O)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000597695181 567712869 /nfs/dbraw/zinc/71/28/69/567712869.db2.gz OXFJJKZDFCFCOM-LBPRGKRZSA-N 0 0 383.261 3.346 10 30 GGEERN C[C@@H](C(=O)Nc1ccc(Br)cc1C(F)(F)F)n1cnc(C#N)n1 ZINC000507901368 567714920 /nfs/dbraw/zinc/71/49/20/567714920.db2.gz KQIWEQVTKATVBE-ZETCQYMHSA-N 0 0 388.147 3.131 10 30 GGEERN C[C@](CO)(NC(=O)Nc1ccc(F)c(C#N)c1)c1ccc(Br)cc1 ZINC000554188136 567715068 /nfs/dbraw/zinc/71/50/68/567715068.db2.gz LBTTZRWTZYNCSH-QGZVFWFLSA-N 0 0 392.228 3.489 10 30 GGEERN Cc1[nH]nc(NC(=O)CCCC(=O)Nc2ccccc2C#N)c1Br ZINC000597732666 567715021 /nfs/dbraw/zinc/71/50/21/567715021.db2.gz YGCSFDHSXIXTGW-UHFFFAOYSA-N 0 0 390.241 3.100 10 30 GGEERN C[C@H](C(=O)Nc1ccc(Br)cc1C(F)(F)F)n1cnc(C#N)n1 ZINC000507901362 567715090 /nfs/dbraw/zinc/71/50/90/567715090.db2.gz KQIWEQVTKATVBE-SSDOTTSWSA-N 0 0 388.147 3.131 10 30 GGEERN Cc1ccc(C(=O)N[C@H](C#N)CO)cc1OCc1csc(Br)c1 ZINC000597739908 567715498 /nfs/dbraw/zinc/71/54/98/567715498.db2.gz CUSMSBAPNXUDDG-CYBMUJFWSA-N 0 0 395.278 3.012 10 30 GGEERN Cc1ccc(C(=O)N[C@@H](C#N)CO)cc1OCc1csc(Br)c1 ZINC000597739910 567715640 /nfs/dbraw/zinc/71/56/40/567715640.db2.gz CUSMSBAPNXUDDG-ZDUSSCGKSA-N 0 0 395.278 3.012 10 30 GGEERN C[C@@H](NC(=O)Nc1ccccc1SC[C@@H](C)C#N)C1(S(C)(=O)=O)CC1 ZINC000554205901 567716656 /nfs/dbraw/zinc/71/66/56/567716656.db2.gz DOMUCQBPGPMZOE-QWHCGFSZSA-N 0 0 381.523 3.026 10 30 GGEERN N#Cc1ccc(CSCC(=O)N[C@@H]2CCOC3(CCSCC3)C2)cc1 ZINC000532455382 567717129 /nfs/dbraw/zinc/71/71/29/567717129.db2.gz VWADECKQTOFUAQ-QGZVFWFLSA-N 0 0 376.547 3.352 10 30 GGEERN CCC1(CC)CN(Cc2ccc(Br)cc2C#N)CCS1(=O)=O ZINC000554263540 567717779 /nfs/dbraw/zinc/71/77/79/567717779.db2.gz HWMURKVUIGOCID-UHFFFAOYSA-N 0 0 385.327 3.110 10 30 GGEERN O=C1CN(Cc2cc(F)c(C(F)(F)F)cc2F)CCN1CC(F)(F)F ZINC000554253895 567717912 /nfs/dbraw/zinc/71/79/12/567717912.db2.gz NODIFFXWZRLJQX-UHFFFAOYSA-N 0 0 376.247 3.190 10 30 GGEERN CC(C)(C)n1cc(Br)c(C(=O)NCc2ccc(CC#N)cc2)n1 ZINC000597806705 567718051 /nfs/dbraw/zinc/71/80/51/567718051.db2.gz IGSNISMMJHHKJS-UHFFFAOYSA-N 0 0 375.270 3.397 10 30 GGEERN Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000597822955 567718149 /nfs/dbraw/zinc/71/81/49/567718149.db2.gz RHPWHYMQDONPHK-AWEZNQCLSA-N 0 0 376.243 3.371 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000667033182 567720232 /nfs/dbraw/zinc/72/02/32/567720232.db2.gz GTNROKHJCPYSDZ-SUMWQHHRSA-N 0 0 381.314 3.357 10 30 GGEERN C[C@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1ccccn1 ZINC000597863673 567720733 /nfs/dbraw/zinc/72/07/33/567720733.db2.gz JKLPRMRYHMJYPL-CYBMUJFWSA-N 0 0 399.292 3.072 10 30 GGEERN Cc1cc(C)c(Br)c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000461131972 567722395 /nfs/dbraw/zinc/72/23/95/567722395.db2.gz QYFJBLNCYSJEDV-UHFFFAOYSA-N 0 0 399.292 3.295 10 30 GGEERN N#CC[C@@H]1CCCN(C(=O)c2ncc(Br)cc2Br)C1 ZINC000597906238 567724233 /nfs/dbraw/zinc/72/42/33/567724233.db2.gz VERQMUAOKAWISF-VIFPVBQESA-N 0 0 387.075 3.372 10 30 GGEERN N#Cc1c(Br)cccc1NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000573614933 567725438 /nfs/dbraw/zinc/72/54/38/567725438.db2.gz ABUJMFIJSRTWSD-GFCCVEGCSA-N 0 0 376.229 3.216 10 30 GGEERN N#Cc1c(Br)cccc1NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000573614934 567725674 /nfs/dbraw/zinc/72/56/74/567725674.db2.gz ABUJMFIJSRTWSD-LBPRGKRZSA-N 0 0 376.229 3.216 10 30 GGEERN C=CCCC1(CNC(=O)c2c(I)cnn2C)CCCC1 ZINC000597927110 567725955 /nfs/dbraw/zinc/72/59/55/567725955.db2.gz WRDPUBFYBRBLNI-UHFFFAOYSA-N 0 0 387.265 3.281 10 30 GGEERN CC[C@H](COCC1CC1)NC(=O)COc1cccc(Br)c1C#N ZINC000597924441 567726481 /nfs/dbraw/zinc/72/64/81/567726481.db2.gz RORCGMHMUZVKHK-CYBMUJFWSA-N 0 0 381.270 3.021 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1N1CC[C@@](O)(C(F)(F)F)C1 ZINC000573643671 567727310 /nfs/dbraw/zinc/72/73/10/567727310.db2.gz NGQFFPPUJJSTDL-AWEZNQCLSA-N 0 0 386.171 3.372 10 30 GGEERN Cc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1Br ZINC000461299165 567728939 /nfs/dbraw/zinc/72/89/39/567728939.db2.gz KFEOLYUKWVLKSB-UHFFFAOYSA-N 0 0 382.221 3.462 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(OC)c(Br)c(OC)c1 ZINC000573678492 567730283 /nfs/dbraw/zinc/73/02/83/567730283.db2.gz AZZFAQYIZDKMCI-JQWIXIFHSA-N 0 0 385.258 3.179 10 30 GGEERN N#CCC1CN(C(=O)c2cc(I)cc(C(F)(F)F)c2)C1 ZINC000598031813 567734273 /nfs/dbraw/zinc/73/42/73/567734273.db2.gz VNOVMCKLXCEEHZ-UHFFFAOYSA-N 0 0 394.134 3.296 10 30 GGEERN N#CCC1CN(C(=O)c2cccn2-c2cccc(I)c2)C1 ZINC000598035267 567734189 /nfs/dbraw/zinc/73/41/89/567734189.db2.gz IGABRTIRYTWMMC-UHFFFAOYSA-N 0 0 391.212 3.068 10 30 GGEERN CCOc1cc(Br)c(CC(=O)N2CC(CC#N)C2)cc1OCC ZINC000598034781 567734236 /nfs/dbraw/zinc/73/42/36/567734236.db2.gz KYKKEJRGMZUWJR-UHFFFAOYSA-N 0 0 381.270 3.161 10 30 GGEERN Cc1sc2nc(CS[C@H](C)C(=O)N3CC(CC#N)C3)[nH]c(=O)c2c1C ZINC000598034847 567734265 /nfs/dbraw/zinc/73/42/65/567734265.db2.gz NZCMUGDCMGZEMQ-LLVKDONJSA-N 0 0 376.507 3.008 10 30 GGEERN N#CCC1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C1 ZINC000598036400 567734399 /nfs/dbraw/zinc/73/43/99/567734399.db2.gz FZRARQLMRFESNY-CQSZACIVSA-N 0 0 380.275 3.218 10 30 GGEERN 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CCOC(=O)c1ccc(NC(=NC(=O)c2ccccc2)NC[C@H]2CCCO2)cc1 ZINC000046130261 570211366 /nfs/dbraw/zinc/21/13/66/570211366.db2.gz DHUZSYJJZJZUPN-LJQANCHMSA-N 0 0 395.459 3.240 10 30 GGEERN COc1cc(OC)cc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(C)cc2)c1 ZINC000046130387 570211377 /nfs/dbraw/zinc/21/13/77/570211377.db2.gz KTPWRAKUGDFTIW-SFHVURJKSA-N 0 0 397.475 3.389 10 30 GGEERN CC(=O)Nc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(C)cc2)cc1 ZINC000046130319 570211431 /nfs/dbraw/zinc/21/14/31/570211431.db2.gz IITRAYUUNVEZHE-FQEVSTJZSA-N 0 0 394.475 3.330 10 30 GGEERN COc1ccccc1NC(=NC(=O)c1ccc(F)c(F)c1)NC[C@H]1CCCO1 ZINC000046131005 570211626 /nfs/dbraw/zinc/21/16/26/570211626.db2.gz VEFQUJYNDPBCAU-CQSZACIVSA-N 0 0 389.402 3.350 10 30 GGEERN COc1ccc(NC(=NC(=O)c2cccc(N(C)C)c2)NC[C@H]2CCCO2)cc1 ZINC000046130849 570211635 /nfs/dbraw/zinc/21/16/35/570211635.db2.gz ZPVPPDSQANJFAZ-HXUWFJFHSA-N 0 0 396.491 3.138 10 30 GGEERN COC(=O)c1cccc(NC(=NC(=O)c2ccc(C)cc2)NC[C@H]2CCCO2)c1 ZINC000046131295 570211939 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CCc1ccc(C(=O)N=C(NCCN2CCOCC2)Nc2cccc(C)c2)cc1 ZINC000046134195 570212417 /nfs/dbraw/zinc/21/24/17/570212417.db2.gz DQUFRLMKTXQOQY-UHFFFAOYSA-N 0 0 394.519 3.088 10 30 GGEERN CCc1ccc(C(=O)N=C(NCCN2CCOCC2)Nc2ccc(C)cc2)cc1 ZINC000046134115 570212648 /nfs/dbraw/zinc/21/26/48/570212648.db2.gz KCPUGJOVTZQUNP-UHFFFAOYSA-N 0 0 394.519 3.088 10 30 GGEERN COc1cc(NC(=NC(=O)c2ccccc2)NC[C@H]2CCCO2)cc(OC)c1 ZINC000046132477 570212966 /nfs/dbraw/zinc/21/29/66/570212966.db2.gz JMEFCORKHRBELU-QGZVFWFLSA-N 0 0 383.448 3.081 10 30 GGEERN Cc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc3c(c2)OCCO3)cc1 ZINC000046132602 570213010 /nfs/dbraw/zinc/21/30/10/570213010.db2.gz HEZMQLQNDOCHER-SFHVURJKSA-N 0 0 395.459 3.143 10 30 GGEERN Cc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc3c(c2)OCCO3)cc1 ZINC000046132608 570213036 /nfs/dbraw/zinc/21/30/36/570213036.db2.gz HEZMQLQNDOCHER-GOSISDBHSA-N 0 0 395.459 3.143 10 30 GGEERN CCc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc3c(c2)OCO3)cc1 ZINC000046132968 570213343 /nfs/dbraw/zinc/21/33/43/570213343.db2.gz SFPNTOANZDMWSF-SFHVURJKSA-N 0 0 395.459 3.355 10 30 GGEERN COc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cc(F)cc(F)c2)c1 ZINC000046133178 570213418 /nfs/dbraw/zinc/21/34/18/570213418.db2.gz XHXGWPMGZBREOU-GOSISDBHSA-N 0 0 389.402 3.350 10 30 GGEERN CCc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc3c(c2)OCO3)cc1 ZINC000046132972 570213434 /nfs/dbraw/zinc/21/34/34/570213434.db2.gz SFPNTOANZDMWSF-GOSISDBHSA-N 0 0 395.459 3.355 10 30 GGEERN O=C(Cc1ccc(F)cc1)N1CCC[C@H](C(=O)Nc2n[nH]c(C(F)(F)F)n2)C1 ZINC000048234418 570221149 /nfs/dbraw/zinc/22/11/49/570221149.db2.gz ZPRFGISJWVEVRL-NSHDSACASA-N 0 0 399.348 3.032 10 30 GGEERN N#Cc1cc([N+](=O)[O-])ccc1N1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000048300506 570234062 /nfs/dbraw/zinc/23/40/62/570234062.db2.gz KRWNUCVVPYOZDU-UHFFFAOYSA-N 0 0 378.432 3.184 10 30 GGEERN C=CCNC(=O)c1cnn(-c2nccc(-c3ccc(OC)c(F)c3)n2)c1C1CC1 ZINC000012456482 570237045 /nfs/dbraw/zinc/23/70/45/570237045.db2.gz IMAKSOBDXFFQEG-UHFFFAOYSA-N 0 0 393.422 3.270 10 30 GGEERN NC(=NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccnc1 ZINC000020421103 570255227 /nfs/dbraw/zinc/25/52/27/570255227.db2.gz SEGFCBSVNQIZKA-UHFFFAOYSA-N 0 0 397.300 3.213 10 30 GGEERN C=CCN1C(=O)[C@@]2(c3ccccc3-c3oc(N)nc32)C2=C1CC(C)(C)CC2=O ZINC000020568320 570268593 /nfs/dbraw/zinc/26/85/93/570268593.db2.gz FODSAHSOUBGYOX-QFIPXVFZSA-N 0 0 375.428 3.195 10 30 GGEERN N#C[C@@H](C(=O)CCS(=O)(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 ZINC000006134869 570276047 /nfs/dbraw/zinc/27/60/47/570276047.db2.gz UQUQAOFEBNUBHH-LBPRGKRZSA-N 0 0 387.848 3.257 10 30 GGEERN C[C@H](CC(=O)O/N=C/c1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002150565 570276487 /nfs/dbraw/zinc/27/64/87/570276487.db2.gz WZXXKDVPMGBQEH-LNOXHEFASA-N 0 0 390.848 3.341 10 30 GGEERN N#Cc1ccccc1C[C@@H](C#N)c1c(C#N)c(N)nc(N2CCCCC2)c1C#N ZINC000084502400 570291873 /nfs/dbraw/zinc/29/18/73/570291873.db2.gz PXILFVRQIJKOLW-KRWDZBQOSA-N 0 0 381.443 3.119 10 30 GGEERN COc1ccccc1/N=C1/S[C@H](C(=O)Nc2ccccc2OC)CC(=O)N1C ZINC000100294577 570349883 /nfs/dbraw/zinc/34/98/83/570349883.db2.gz YPDVQKMOQZIJMI-XGIGFIBQSA-N 0 0 399.472 3.294 10 30 GGEERN COc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N\c3ccccc3OC)S2)cc1 ZINC000100361215 570356112 /nfs/dbraw/zinc/35/61/12/570356112.db2.gz PKRYKQPEBGPGAA-MBOBHEEDSA-N 0 0 399.472 3.294 10 30 GGEERN COc1ccc(OC)c([C@@H](C)NC(=O)CCc2c(C)nn(CCC#N)c2C)c1 ZINC000023884363 570374856 /nfs/dbraw/zinc/37/48/56/570374856.db2.gz VZBIRGLECMVWCE-CQSZACIVSA-N 0 0 384.480 3.241 10 30 GGEERN N#Cc1cc2c(nc1SCC(=O)N1CCc3ccccc3C1)CCCC2=O ZINC000004948978 570379422 /nfs/dbraw/zinc/37/94/22/570379422.db2.gz SXPJEIILOKTTGZ-UHFFFAOYSA-N 0 0 377.469 3.149 10 30 GGEERN N#Cc1c(N)nc2c(c1-c1cccnc1OCC(F)(F)F)N1CCC2CC1 ZINC000102670701 570380640 /nfs/dbraw/zinc/38/06/40/570380640.db2.gz LVKIOSSODOXGTM-UHFFFAOYSA-N 0 0 375.354 3.236 10 30 GGEERN N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc2ccccc2cc1O ZINC000004965663 570383758 /nfs/dbraw/zinc/38/37/58/570383758.db2.gz NMKBHJUZIQALGE-UHFFFAOYSA-N 0 0 391.339 3.121 10 30 GGEERN Cc1nc(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n(C[C@@H]2CCCO2)c1C ZINC000024514176 570385170 /nfs/dbraw/zinc/38/51/70/570385170.db2.gz KIVHEYGUGXUMIF-GJYPPUQNSA-N 0 0 378.542 3.214 10 30 GGEERN CN1C(=O)C[C@H](C(=O)NCCc2ccccc2)S/C1=N/c1ccc(F)cc1 ZINC000100570199 570399849 /nfs/dbraw/zinc/39/98/49/570399849.db2.gz RJZRTQYCPDQDQF-LRWZUSMTSA-N 0 0 385.464 3.136 10 30 GGEERN Cc1ccc(CN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C(C)C)o1 ZINC000054211761 570456008 /nfs/dbraw/zinc/45/60/08/570456008.db2.gz JRPOBQSOGCJXAC-UHFFFAOYSA-N 0 0 379.464 3.489 10 30 GGEERN C#CCOc1ccccc1CNC(=O)Nc1ccccc1-c1nnnn1C1CC1 ZINC000072285293 570475336 /nfs/dbraw/zinc/47/53/36/570475336.db2.gz UGGZOODNVXFBPA-UHFFFAOYSA-N 0 0 388.431 3.009 10 30 GGEERN COc1ccc2c(c1)CCCC2=NOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000252633101 570479893 /nfs/dbraw/zinc/47/98/93/570479893.db2.gz VZHFKKPARILZTM-UHFFFAOYSA-N 0 0 385.332 3.409 10 30 GGEERN N#Cc1ccc(COC(=O)CCN2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000006584341 570485278 /nfs/dbraw/zinc/48/52/78/570485278.db2.gz JNYWNDRDKWSOKS-UHFFFAOYSA-N 0 0 392.436 3.354 10 30 GGEERN CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)COc1ccc(C#N)cc1 ZINC000006589750 570487519 /nfs/dbraw/zinc/48/75/19/570487519.db2.gz ZKMHVCYYXKJPSH-UHFFFAOYSA-N 0 0 376.416 3.424 10 30 GGEERN Cc1nc(S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c(C#N)c(C)c1C ZINC000005172456 570491590 /nfs/dbraw/zinc/49/15/90/570491590.db2.gz ZLCWAJLCMIJFBA-AWEZNQCLSA-N 0 0 383.473 3.404 10 30 GGEERN CNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C(=Nc2ccc(OC)cc2)S1 ZINC000061953931 570551784 /nfs/dbraw/zinc/55/17/84/570551784.db2.gz MEFKTAGEDNYOMD-GOSISDBHSA-N 0 0 397.500 3.006 10 30 GGEERN N#Cc1cc2c(n(-c3ccc4c(c3)OCCO4)c1=O)C[C@@H](c1ccccc1)CC2=O ZINC000032985443 570573534 /nfs/dbraw/zinc/57/35/34/570573534.db2.gz IYLWWRBVIOKKOO-MRXNPFEDSA-N 0 0 398.418 3.393 10 30 GGEERN CCOC(=O)c1sc2ncn(/N=C/c3cn(C)c4ccccc34)c(=O)c2c1C ZINC000001508101 570578196 /nfs/dbraw/zinc/57/81/96/570578196.db2.gz LUMASGFFOVCIOQ-LSFURLLWSA-N 0 0 394.456 3.317 10 30 GGEERN C=CCN1CCN(C(=O)N[C@H](CC(=O)OCC)c2ccccc2)c2cccnc21 ZINC000064929553 570595775 /nfs/dbraw/zinc/59/57/75/570595775.db2.gz LXJDPKWUCNCUJV-GOSISDBHSA-N 0 0 394.475 3.298 10 30 GGEERN Cc1c(C)n(C[C@H]2CCCO2)c(NC(=O)CN2CCc3ccccc3C2)c1C#N ZINC000036384995 570657410 /nfs/dbraw/zinc/65/74/10/570657410.db2.gz KFWWLLWYTBNYIA-HXUWFJFHSA-N 0 0 392.503 3.152 10 30 GGEERN C[C@](C#N)(NC(=O)CN(Cc1ccccc1)C[C@@H](O)c1ccsc1)C1CC1 ZINC000229874187 570667392 /nfs/dbraw/zinc/66/73/92/570667392.db2.gz DXYZCBVSFQNDGQ-TZIWHRDSSA-N 0 0 383.517 3.092 10 30 GGEERN COc1cc(C=NNC(N)=S)ccc1OC(=O)c1cc(F)c(F)cc1Cl ZINC000012419143 570671209 /nfs/dbraw/zinc/67/12/09/570671209.db2.gz GBBFUIARSXOBGN-UHFFFAOYSA-N 0 0 399.806 3.013 10 30 GGEERN COc1ccc(N2CCN(C(=O)CSCc3ccccc3C#N)CC2)cc1 ZINC000005637619 570678206 /nfs/dbraw/zinc/67/82/06/570678206.db2.gz HKONVBVBCJVMRF-UHFFFAOYSA-N 0 0 381.501 3.149 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000275798038 570699839 /nfs/dbraw/zinc/69/98/39/570699839.db2.gz ZUTWELKAZBDZLH-GOSISDBHSA-N 0 0 376.460 3.155 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000275798039 570700094 /nfs/dbraw/zinc/70/00/94/570700094.db2.gz ZUTWELKAZBDZLH-SFHVURJKSA-N 0 0 376.460 3.155 10 30 GGEERN N#C[C@H](c1nc2ccccc2nc1N1CCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000006942921 570715502 /nfs/dbraw/zinc/71/55/02/570715502.db2.gz PNZVKGZSGBYOFT-GOSISDBHSA-N 0 0 396.447 3.408 10 30 GGEERN N#Cc1ccccc1Sc1ccccc1C(=O)NCCCN1CCCC1=O ZINC000032645279 570721112 /nfs/dbraw/zinc/72/11/12/570721112.db2.gz HHSHJCWAXGJIGR-UHFFFAOYSA-N 0 0 379.485 3.452 10 30 GGEERN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sc(C)c(C)c2C#N)C1=O ZINC000025349309 570748652 /nfs/dbraw/zinc/74/86/52/570748652.db2.gz REDRRGIDUQAVPS-FQEVSTJZSA-N 0 0 396.472 3.032 10 30 GGEERN CC(=O)N1c2ccccc2CC2=C(C(=O)CC(C)(C)N2)[C@H]1c1ccc([N+](=O)[O-])o1 ZINC000096602700 570775220 /nfs/dbraw/zinc/77/52/20/570775220.db2.gz VRVMASZDYMGLDW-HXUWFJFHSA-N 0 0 395.415 3.433 10 30 GGEERN CC(C)[C@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccc2c(c1)OCCCO2 ZINC000032740526 570786122 /nfs/dbraw/zinc/78/61/22/570786122.db2.gz YEUJDFACCVMBJB-FQEVSTJZSA-N 0 0 386.473 3.395 10 30 GGEERN COc1cccc(-n2cnnc2S[C@H](C)C(=O)Nc2cccc(C#N)c2)c1 ZINC000005895485 570801716 /nfs/dbraw/zinc/80/17/16/570801716.db2.gz SLZIFBVEXVZZHY-CYBMUJFWSA-N 0 0 379.445 3.267 10 30 GGEERN COc1cccc(-n2cnnc2S[C@@H](C)C(=O)Nc2cccc(C#N)c2)c1 ZINC000005895480 570801852 /nfs/dbraw/zinc/80/18/52/570801852.db2.gz SLZIFBVEXVZZHY-ZDUSSCGKSA-N 0 0 379.445 3.267 10 30 GGEERN CCOC(=O)c1cc(C#N)c(SCC(=O)N2CCCC[C@@H]2CC)nc1C ZINC000007149708 570807056 /nfs/dbraw/zinc/80/70/56/570807056.db2.gz NCIBKOVCRNQDED-HNNXBMFYSA-N 0 0 375.494 3.322 10 30 GGEERN COc1nc2ccccc2nc1N1CCC(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000033088283 570807561 /nfs/dbraw/zinc/80/75/61/570807561.db2.gz VNOSCXJUPPMQEJ-UHFFFAOYSA-N 0 0 387.443 3.365 10 30 GGEERN Cc1cc([N+](=O)[O-])ccc1N1C(=O)/C(=C\c2cccc(C#N)c2)N(C)C1=S ZINC000034915799 570809102 /nfs/dbraw/zinc/80/91/02/570809102.db2.gz DYCWKDHHMKNXAO-LICLKQGHSA-N 0 0 378.413 3.379 10 30 GGEERN Cc1nc(S[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)c(C#N)c(C)c1C ZINC000007188634 570812193 /nfs/dbraw/zinc/81/21/93/570812193.db2.gz VJHZSAYYQOBDAD-CQSZACIVSA-N 0 0 380.473 3.344 10 30 GGEERN CCOCCCn1c(SCC#N)nc2c(-c3ccccc3)cn(C)c2c1=O ZINC000033114629 570812792 /nfs/dbraw/zinc/81/27/92/570812792.db2.gz LUVRRCYZLRZXDH-UHFFFAOYSA-N 0 0 382.489 3.444 10 30 GGEERN C=CCn1c(=O)c2cccnc2nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000031615089 570818075 /nfs/dbraw/zinc/81/80/75/570818075.db2.gz ZCZOFFYWUPHRSA-UHFFFAOYSA-N 0 0 386.864 3.362 10 30 GGEERN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000239310477 570826667 /nfs/dbraw/zinc/82/66/67/570826667.db2.gz IMBNODXFFYNNFQ-BEFAXECRSA-N 0 0 377.444 3.494 10 30 GGEERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000007364487 570834349 /nfs/dbraw/zinc/83/43/49/570834349.db2.gz UBQURWSRUAKTRK-UHFFFAOYSA-N 0 0 376.416 3.339 10 30 GGEERN Cc1cccc(N(Cc2ccccc2)C(=O)Cn2nc(C)c(C)c(C#N)c2=O)c1 ZINC000007384872 570835638 /nfs/dbraw/zinc/83/56/38/570835638.db2.gz RHCNCUAEWNWWGT-UHFFFAOYSA-N 0 0 386.455 3.274 10 30 GGEERN CCOc1ccc([C@@H](CNc2ccccc2C#N)N2CCOCC2)cc1OC ZINC000032829304 570844227 /nfs/dbraw/zinc/84/42/27/570844227.db2.gz PKOKOZQPVFMHTH-HXUWFJFHSA-N 0 0 381.476 3.451 10 30 GGEERN Cc1ccc(C(=O)N[C@@H](C(=O)Nc2nc3ccc(C#N)cc3n2C)C(C)C)cc1 ZINC000170596013 570853018 /nfs/dbraw/zinc/85/30/18/570853018.db2.gz RWBAETPVPZAWHP-LJQANCHMSA-N 0 0 389.459 3.147 10 30 GGEERN COc1cc(C2=Nc3ncnn3/C2=N/Cc2ccc(F)cc2)cc(OC)c1OC ZINC000102651067 570855515 /nfs/dbraw/zinc/85/55/15/570855515.db2.gz UHVNYUNIXFMMGI-ZBJSNUHESA-N 0 0 395.394 3.024 10 30 GGEERN CCOC(=O)c1cc(C#N)c(S[C@@H](C(=O)N(C)C)c2ccccc2)nc1C ZINC000007503745 570860658 /nfs/dbraw/zinc/86/06/58/570860658.db2.gz JLOPRUCYMZXAQR-QGZVFWFLSA-N 0 0 383.473 3.360 10 30 GGEERN CC#CCOc1ccc([C@@H](C)OC(=O)CCn2cnc3ccccc3c2=O)cc1 ZINC000170609435 570865456 /nfs/dbraw/zinc/86/54/56/570865456.db2.gz YXXSOSVFLHZBDH-QGZVFWFLSA-N 0 0 390.439 3.493 10 30 GGEERN COc1ccc([C@H](CC(=O)OCc2cn3ccccc3c2C#N)NC(C)=O)cc1 ZINC000032898906 570887959 /nfs/dbraw/zinc/88/79/59/570887959.db2.gz ULKCAOZTZMXPCT-FQEVSTJZSA-N 0 0 391.427 3.130 10 30 GGEERN C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nc(=O)c2cccnc21 ZINC000033268501 570892430 /nfs/dbraw/zinc/89/24/30/570892430.db2.gz IFPMCQPLXJQCTG-UHFFFAOYSA-N 0 0 380.473 3.325 10 30 GGEERN Cc1csc(=O)n1CCCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000032900400 570894542 /nfs/dbraw/zinc/89/45/42/570894542.db2.gz ZHJRTQRMOFBMKG-UHFFFAOYSA-N 0 0 382.407 3.185 10 30 GGEERN COC(=O)C1=C(Nc2cccc([N+](=O)[O-])c2)SC(=Cc2ccccc2O)C1=O ZINC000101727966 570900942 /nfs/dbraw/zinc/90/09/42/570900942.db2.gz AGFRQYMJSRHMAP-OQLLNIDSSA-N 0 0 398.396 3.454 10 30 GGEERN C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(CC)cc2)ccc1F ZINC000040070115 570907893 /nfs/dbraw/zinc/90/78/93/570907893.db2.gz PLQPIYXQTBCDRF-CQSZACIVSA-N 0 0 390.480 3.343 10 30 GGEERN C=CCOC[C@H](O)CN(Cc1ccccc1F)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983286 570911748 /nfs/dbraw/zinc/91/17/48/570911748.db2.gz RFQYNKRSVZKKNU-NHCUHLMSSA-N 0 0 398.478 3.384 10 30 GGEERN COC(=O)c1sc(NC(=O)/C=C\c2ccc(OC)c(OC)c2)c(C#N)c1C ZINC000033288746 570956101 /nfs/dbraw/zinc/95/61/01/570956101.db2.gz LOUZLYNJBWWBEM-VURMDHGXSA-N 0 0 386.429 3.384 10 30 GGEERN Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1N=Cc1ccncc1 ZINC000252452537 570958837 /nfs/dbraw/zinc/95/88/37/570958837.db2.gz NMOUPVKUGOOGCT-UHFFFAOYSA-N 0 0 399.458 3.116 10 30 GGEERN CC(C)NC(=O)c1ccc(OC[C@H]2CCCN2C(=O)c2ccc(C#N)cc2)cc1 ZINC000033310892 570970014 /nfs/dbraw/zinc/97/00/14/570970014.db2.gz XLRRAZQSCSHEQL-HXUWFJFHSA-N 0 0 391.471 3.380 10 30 GGEERN CC(=O)C(C(=O)Nc1cc(=O)c2ccccc2o1)=C(C)NCc1ccccc1 ZINC000108166229 570984944 /nfs/dbraw/zinc/98/49/44/570984944.db2.gz BHGUUMJXRLRRGD-STZFKDTASA-N 0 0 376.412 3.384 10 30 GGEERN COc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccccc2OC)c1 ZINC000046131047 570987824 /nfs/dbraw/zinc/98/78/24/570987824.db2.gz ZJXDRBKLJFFZGT-QGZVFWFLSA-N 0 0 383.448 3.081 10 30 GGEERN CCOC(=O)c1cnn(-c2ncnc3sc4c(c32)CCCC4)c1N=CN(C)C ZINC000252591390 571000947 /nfs/dbraw/zinc/00/09/47/571000947.db2.gz BAYGAWLCUNRWHO-UHFFFAOYSA-N 0 0 398.492 3.154 10 30 GGEERN COc1ccccc1NC(=NCc1ccncc1)NC(=O)c1ccc(F)cc1 ZINC000045939878 571001285 /nfs/dbraw/zinc/00/12/85/571001285.db2.gz ZXFRFNUEXCZRDZ-UHFFFAOYSA-N 0 0 378.407 3.437 10 30 GGEERN COc1ccc(C(=O)N=C(NCc2ccncc2)Nc2ccccc2OC)cc1 ZINC000045940264 571001437 /nfs/dbraw/zinc/00/14/37/571001437.db2.gz HSQWYKRKMYBDFH-UHFFFAOYSA-N 0 0 390.443 3.497 10 30 GGEERN COc1cccc(N=C2S[C@@H](C(=O)Nc3ccccc3OC)CC(=O)N2C)c1 ZINC000252594500 571003287 /nfs/dbraw/zinc/00/32/87/571003287.db2.gz BSPKIIPGXPCTJH-QGZVFWFLSA-N 0 0 399.472 3.294 10 30 GGEERN COc1ccc(C(C)=NNC(=N)S[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000252597984 571004216 /nfs/dbraw/zinc/00/42/16/571004216.db2.gz CWWPPHYHFZSTSA-KRWDZBQOSA-N 0 0 396.472 3.009 10 30 GGEERN CNC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)cc2)C(=Nc2ccccc2)S1 ZINC000252601434 571005744 /nfs/dbraw/zinc/00/57/44/571005744.db2.gz FAPLAJGQBZFBKO-SFHVURJKSA-N 0 0 397.500 3.006 10 30 GGEERN CN(N=Cc1ccc(F)cc1)c1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000252605601 571007104 /nfs/dbraw/zinc/00/71/04/571007104.db2.gz GKNLHPKLCIBAPN-UHFFFAOYSA-N 0 0 397.502 3.462 10 30 GGEERN N#Cc1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2N2CCCC2)cc1 ZINC000045962161 571008210 /nfs/dbraw/zinc/00/82/10/571008210.db2.gz ADMOMAIPTDRQGG-UHFFFAOYSA-N 0 0 395.440 3.066 10 30 GGEERN COc1cccc(NC(=O)[C@H]2CC(=O)N(C)C(=Nc3cccc(F)c3)S2)c1 ZINC000252616643 571018476 /nfs/dbraw/zinc/01/84/76/571018476.db2.gz KCNVABCHNAWYPA-MRXNPFEDSA-N 0 0 387.436 3.424 10 30 GGEERN COc1cccc(NC(=O)[C@@H]2CC(=O)N(C)C(=Nc3cccc(F)c3)S2)c1 ZINC000252616642 571018534 /nfs/dbraw/zinc/01/85/34/571018534.db2.gz KCNVABCHNAWYPA-INIZCTEOSA-N 0 0 387.436 3.424 10 30 GGEERN O=C1NC(=NN=Cc2cccc([N+](=O)[O-])c2)S/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000252616923 571019005 /nfs/dbraw/zinc/01/90/05/571019005.db2.gz KIPDOPVWEFBJGV-VQYMDGFVSA-N 0 0 397.372 3.097 10 30 GGEERN CCN(CC)C(=O)c1sc(N=Cc2cccc([N+](=O)[O-])c2)c(C(N)=O)c1C ZINC000252617506 571019397 /nfs/dbraw/zinc/01/93/97/571019397.db2.gz KUKQVUUQCIJLAX-UHFFFAOYSA-N 0 0 388.449 3.296 10 30 GGEERN COc1ccc(N=C2S[C@H](C(=O)Nc3ccccc3OC)CC(=O)N2C)cc1 ZINC000252617491 571019450 /nfs/dbraw/zinc/01/94/50/571019450.db2.gz KUDGLNNBGFRKFY-KRWDZBQOSA-N 0 0 399.472 3.294 10 30 GGEERN COc1cc(OC)cc(C(=O)N=C(NCc2ccccn2)Nc2ccccc2)c1 ZINC000046125200 571023849 /nfs/dbraw/zinc/02/38/49/571023849.db2.gz ANOPCTJXVAUJFB-UHFFFAOYSA-N 0 0 390.443 3.497 10 30 GGEERN CC(=O)Nc1ccc(C(=O)N=C(NCc2ccccn2)Nc2ccccc2)cc1 ZINC000046125182 571023937 /nfs/dbraw/zinc/02/39/37/571023937.db2.gz MNBGPANKJPHBCI-UHFFFAOYSA-N 0 0 387.443 3.438 10 30 GGEERN CN(C)c1ccc(C=NN=C2NC(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)S2)cc1 ZINC000252621131 571033057 /nfs/dbraw/zinc/03/30/57/571033057.db2.gz MTNRFOBQHKYXHD-LOLFMQHDSA-N 0 0 395.444 3.255 10 30 GGEERN CC(=O)Nc1ccc(N=Cc2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000252624188 571037744 /nfs/dbraw/zinc/03/77/44/571037744.db2.gz PIPIUXGUHSRUCO-UHFFFAOYSA-N 0 0 381.436 3.056 10 30 GGEERN COc1ccc(N=C2S[C@@H](C(=O)Nc3ccccc3F)CC(=O)N2C)cc1 ZINC000252624552 571038218 /nfs/dbraw/zinc/03/82/18/571038218.db2.gz PQNQEUSJHZHSAV-MRXNPFEDSA-N 0 0 387.436 3.424 10 30 GGEERN Cc1cc(S(=O)(=O)N(CC#N)Cc2ccccc2)ccc1Br ZINC000054420706 1406728642 /nfs/dbraw/zinc/72/86/42/1406728642.db2.gz VGHDQOGDJDMGDL-UHFFFAOYSA-N 0 0 379.279 3.472 10 30 GGEERN C=CCN1C(=O)N(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(OCC)cc1 ZINC000002729811 1398317994 /nfs/dbraw/zinc/31/79/94/1398317994.db2.gz WERDPRBOBVBSFU-IBGZPJMESA-N 0 0 393.443 3.437 10 30 GGEERN CC1=C(C(=O)N2CCOCC2)[C@H](c2cccc(F)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000002921110 1398321290 /nfs/dbraw/zinc/32/12/90/1398321290.db2.gz LTOWGBWNCNEWST-FQEVSTJZSA-N 0 0 398.478 3.289 10 30 GGEERN CCOc1ccc(N(CCC#N)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000003019464 1398323988 /nfs/dbraw/zinc/32/39/88/1398323988.db2.gz FEKKTWVRBFRGFH-UHFFFAOYSA-N 0 0 375.406 3.102 10 30 GGEERN CCCCCCCNC(=O)C[C@H](C(=O)N1CCc2ccccc21)n1ccnc1 ZINC000003046760 1398325546 /nfs/dbraw/zinc/32/55/46/1398325546.db2.gz XASVZJFWVYIUAE-HXUWFJFHSA-N 0 0 382.508 3.490 10 30 GGEERN COCCn1c2nc3ccccc3nc2c(C#N)c1NC(=O)c1ccc(F)cc1 ZINC000003216792 1398328564 /nfs/dbraw/zinc/32/85/64/1398328564.db2.gz FUVFUZVTOZVKAR-UHFFFAOYSA-N 0 0 389.390 3.494 10 30 GGEERN COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)N(C)C(=O)N2C)cc(OC)c1OC ZINC000003218529 1398328829 /nfs/dbraw/zinc/32/88/29/1398328829.db2.gz ZQGCGBPKJBHZDK-SFHVURJKSA-N 0 0 388.464 3.394 10 30 GGEERN CCCOc1ccc(C(=O)CCC(=O)OCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000003284350 1398332268 /nfs/dbraw/zinc/33/22/68/1398332268.db2.gz VZWXSDFWKPPLSY-UHFFFAOYSA-N 0 0 394.427 3.492 10 30 GGEERN N#CCCN(C(=O)COC(=O)CCC(=O)c1ccc(F)cc1)c1ccccc1 ZINC000003317661 1398334154 /nfs/dbraw/zinc/33/41/54/1398334154.db2.gz HSEOAMYOFTYUDI-UHFFFAOYSA-N 0 0 382.391 3.279 10 30 GGEERN 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Cc1cc(NC(=O)N2CCCC[C@H]2CNC(=O)OC(C)(C)C)nn1CCC#N ZINC000272040952 1434868296 /nfs/dbraw/zinc/86/82/96/1434868296.db2.gz FUASJRRLJLIZPE-HNNXBMFYSA-N 0 0 390.488 3.016 10 30 GGEERN C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000272660726 1434920835 /nfs/dbraw/zinc/92/08/35/1434920835.db2.gz HHXDZUOOFYJXBI-KBPBESRZSA-N 0 0 387.461 3.264 10 30 GGEERN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)Nc1ccc2c(c1)CCO2 ZINC000275628728 1435154184 /nfs/dbraw/zinc/15/41/84/1435154184.db2.gz AVORQHUIPIOJCV-ZDUSSCGKSA-N 0 0 381.457 3.450 10 30 GGEERN COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)N1CC(C)(C#N)C1)C(=O)OC2 ZINC000280559253 1435679876 /nfs/dbraw/zinc/67/98/76/1435679876.db2.gz VBVNMZMWMAVFBN-WLRTZDKTSA-N 0 0 398.459 3.021 10 30 GGEERN C=CCn1c(C2CCC2)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000282447996 1435847596 /nfs/dbraw/zinc/84/75/96/1435847596.db2.gz ACZNDFDZVLSABX-UHFFFAOYSA-N 0 0 375.517 3.473 10 30 GGEERN C=CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(C)C[C@@H](C)C#N ZINC000282504563 1435849497 /nfs/dbraw/zinc/84/94/97/1435849497.db2.gz FBPGATBVGZPFBO-HNNXBMFYSA-N 0 0 391.479 3.018 10 30 GGEERN C[C@@H](C#N)CN(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCCO1 ZINC000282855564 1435863186 /nfs/dbraw/zinc/86/31/86/1435863186.db2.gz AZWXGGIKVJFZAR-HOTGVXAUSA-N 0 0 387.459 3.161 10 30 GGEERN COc1cc(Cl)ccc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCOC1 ZINC000283279263 1435882666 /nfs/dbraw/zinc/88/26/66/1435882666.db2.gz GJHXHFCQXIGRPS-UONOGXRCSA-N 0 0 389.887 3.239 10 30 GGEERN C[C@H](C#N)CN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCOC1 ZINC000283284910 1435882737 /nfs/dbraw/zinc/88/27/37/1435882737.db2.gz GSIFFBCIFURCBR-HUUCEWRRSA-N 0 0 389.887 3.143 10 30 GGEERN C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCCC1 ZINC000283458519 1435890912 /nfs/dbraw/zinc/89/09/12/1435890912.db2.gz AGSCQARSRNPIEY-UHFFFAOYSA-N 0 0 388.541 3.113 10 30 GGEERN C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1CCCCC1 ZINC000283542956 1435894662 /nfs/dbraw/zinc/89/46/62/1435894662.db2.gz HOTSALYTOHYHCN-UHFFFAOYSA-N 0 0 378.480 3.241 10 30 GGEERN CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cccc(Nc3nnn[n-]3)c2)cc1 ZINC001136666920 1446180198 /nfs/dbraw/zinc/18/01/98/1446180198.db2.gz JIWYSZSBKUGYMB-KRWDZBQOSA-N 0 0 375.436 3.235 10 30 GGEERN C=CCOc1ccc(C[NH2+][C@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])cc1 ZINC000426740205 1126085396 /nfs/dbraw/zinc/08/53/96/1126085396.db2.gz ABQHHCQMHFVEQK-HXUWFJFHSA-N 0 0 395.415 3.426 10 30 GGEERN C#CCOc1ccc(C[NH2+][C@@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])cc1 ZINC000901963494 1126130889 /nfs/dbraw/zinc/13/08/89/1126130889.db2.gz PPLKQXUKBKPUIA-SFHVURJKSA-N 0 0 393.361 3.383 10 30 GGEERN Cc1cccc(C)c1C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C(=O)[O-] ZINC000904072248 1126133391 /nfs/dbraw/zinc/13/33/91/1126133391.db2.gz XOZHMUANBYFQIZ-NRFANRHFSA-N 0 0 388.471 3.361 10 30 GGEERN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C=O)[C@]13O[C@@H]3C[C@@H]2c1ccc(=O)oc1 ZINC000005350762 290723368 /nfs/dbraw/zinc/72/33/68/290723368.db2.gz LFLJTMIVTFTLOA-RLKKFORUSA-N 0 0 398.499 3.437 10 30 GGEERN COc1cc(Br)ccc1[C@H](C)NC(=O)CNc1ccc(C#N)cn1 ZINC000470823158 532537219 /nfs/dbraw/zinc/53/72/19/532537219.db2.gz AHFGBPKOJAFMLS-NSHDSACASA-N 0 0 389.253 3.014 10 30 GGEERN C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)c3ccc(F)cc3)cc2C1=O ZINC000005569677 203755490 /nfs/dbraw/zinc/75/54/90/203755490.db2.gz FFXSOUGXDJEHBB-LBPRGKRZSA-N 0 0 381.359 3.036 10 30 GGEERN C=CCN1C(=O)c2ccc(C(=O)Nc3ccnn3Cc3cccs3)cc2C1=O ZINC000008774646 203773830 /nfs/dbraw/zinc/77/38/30/203773830.db2.gz QPUGQOXOAWWEOZ-UHFFFAOYSA-N 0 0 392.440 3.027 10 30 GGEERN C=CCSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000009721669 203774295 /nfs/dbraw/zinc/77/42/95/203774295.db2.gz DFJOQCOSWPIEAZ-UHFFFAOYSA-N 0 0 376.503 3.467 10 30 GGEERN C=CCN1c2c(c(=O)oc3ccccc23)[C@]2(c3ccccc3-c3oc(N)nc32)C1=O ZINC000020161007 203782131 /nfs/dbraw/zinc/78/21/31/203782131.db2.gz IRWFEAWPOTWFKV-QHCPKHFHSA-N 0 0 397.390 3.211 10 30 GGEERN Cn1c(SCC(=O)Nc2ccccc2C#N)nc2cc(Cl)ccc2c1=O ZINC000003332080 203998952 /nfs/dbraw/zinc/99/89/52/203998952.db2.gz BFGXBDVONBDQCQ-UHFFFAOYSA-N 0 0 384.848 3.189 10 30 GGEERN Cc1sc2nc(SCC(=O)Nc3ccccc3C#N)n(C)c(=O)c2c1C ZINC000003364575 204001571 /nfs/dbraw/zinc/00/15/71/204001571.db2.gz KAZCXGCSKIPXEZ-UHFFFAOYSA-N 0 0 384.486 3.214 10 30 GGEERN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2C#N)C1=O ZINC000003371110 204002723 /nfs/dbraw/zinc/00/27/23/204002723.db2.gz RMGIMYULAKIRHR-FQEVSTJZSA-N 0 0 396.834 3.007 10 30 GGEERN N#Cc1cccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)c1 ZINC000003483679 204009868 /nfs/dbraw/zinc/00/98/68/204009868.db2.gz QYEKXMFHDTZQBV-UHFFFAOYSA-N 0 0 389.367 3.199 10 30 GGEERN Cc1cc(C)n2nc(SCC(=O)Nc3c(C#N)oc4ccccc43)nc2n1 ZINC000003527842 204011663 /nfs/dbraw/zinc/01/16/63/204011663.db2.gz OJTLRCRPNRSKNW-UHFFFAOYSA-N 0 0 378.417 3.090 10 30 GGEERN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccccc1C ZINC000003631475 204017196 /nfs/dbraw/zinc/01/71/96/204017196.db2.gz WPPMTBIZQLKTPS-SOVGHPHASA-N 0 0 397.471 3.171 10 30 GGEERN Cc1sc2c(c1C)C(=O)C(=CNc1ccc(Cl)cn1)S(=O)(=O)N2C ZINC000004697024 204065073 /nfs/dbraw/zinc/06/50/73/204065073.db2.gz NKDYVAAHEPPOQP-YRNVUSSQSA-N 0 0 383.882 3.329 10 30 GGEERN COc1ccc(C/C(C)=N/NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000004863627 204083506 /nfs/dbraw/zinc/08/35/06/204083506.db2.gz JMOUVZGKNZAYLJ-LDADJPATSA-N 0 0 397.294 3.355 10 30 GGEERN COc1ccc(-n2c3nnc(S[C@H](C)C#N)n3c3ccccc3c2=O)cc1 ZINC000004500313 204048010 /nfs/dbraw/zinc/04/80/10/204048010.db2.gz XHOPOPUSLJMZDT-GFCCVEGCSA-N 0 0 377.429 3.046 10 30 GGEERN COc1ccc(-n2c3nnc(S[C@@H](C)C#N)n3c3ccccc3c2=O)cc1 ZINC000004500312 204048420 /nfs/dbraw/zinc/04/84/20/204048420.db2.gz XHOPOPUSLJMZDT-LBPRGKRZSA-N 0 0 377.429 3.046 10 30 GGEERN CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC(C)c1ccco1 ZINC000005163391 204116708 /nfs/dbraw/zinc/11/67/08/204116708.db2.gz YQLIEHULJGIZHX-SFQUDFHCSA-N 0 0 380.426 3.054 10 30 GGEERN N#Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccn(Cc2cccc(F)c2)c1=O ZINC000005268784 204123114 /nfs/dbraw/zinc/12/31/14/204123114.db2.gz UZAKJOJCJSOYLQ-UHFFFAOYSA-N 0 0 392.346 3.068 10 30 GGEERN CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000005326690 204125846 /nfs/dbraw/zinc/12/58/46/204125846.db2.gz LMPVNEGGTDLNBO-NSHDSACASA-N 0 0 385.445 3.379 10 30 GGEERN N#Cc1ccccc1OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000004959217 204097250 /nfs/dbraw/zinc/09/72/50/204097250.db2.gz LUTQEMWZFKUWDB-UHFFFAOYSA-N 0 0 382.375 3.351 10 30 GGEERN Cc1cc(C)c2c(c1)C(N=Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])CCC2 ZINC000004986981 204099463 /nfs/dbraw/zinc/09/94/63/204099463.db2.gz PMZBGUZHBSTEOQ-CAPFRKAQSA-N 0 0 388.449 3.012 10 30 GGEERN CCNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccccc2)S1 ZINC000005952585 204158517 /nfs/dbraw/zinc/15/85/17/204158517.db2.gz NETFQGDSSOHGQR-NKWDDMGQSA-N 0 0 381.501 3.387 10 30 GGEERN CCOC(=O)c1c(C)oc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C#N ZINC000005938209 204159010 /nfs/dbraw/zinc/15/90/10/204159010.db2.gz COCVQEWEPKOPOK-UHFFFAOYSA-N 0 0 377.740 3.450 10 30 GGEERN N#CC1(NC(=O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)CCCC1 ZINC000006087594 204164279 /nfs/dbraw/zinc/16/42/79/204164279.db2.gz CRMHYVAYEJVKLI-UHFFFAOYSA-N 0 0 396.447 3.217 10 30 GGEERN N#C[C@H](C(=O)CCS(=O)(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 ZINC000006134873 204167228 /nfs/dbraw/zinc/16/72/28/204167228.db2.gz UQUQAOFEBNUBHH-GFCCVEGCSA-N 0 0 387.848 3.257 10 30 GGEERN COc1ccc2c(CC(=O)O[C@H](C)C(=O)Nc3cccc(C#N)c3)coc2c1 ZINC000006156485 204168957 /nfs/dbraw/zinc/16/89/57/204168957.db2.gz NIDAKFGMMRCZMQ-CYBMUJFWSA-N 0 0 378.384 3.426 10 30 GGEERN C/C(=N\NC(=S)Nc1ccccc1[N+](=O)[O-])c1ccc(-n2ccnc2)cc1 ZINC000005656770 204145095 /nfs/dbraw/zinc/14/50/95/204145095.db2.gz GQHFMUKGYFUPSL-FYJGNVAPSA-N 0 0 380.433 3.491 10 30 GGEERN CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(N3CCOCC3)cc2)NC(=O)N1 ZINC000005694521 204147170 /nfs/dbraw/zinc/14/71/70/204147170.db2.gz JGEBSSTWEFAKAN-HXUWFJFHSA-N 0 0 377.444 3.034 10 30 GGEERN Cn1c2cn(-c3cccc(C#N)c3)c(-c3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000006804459 204209476 /nfs/dbraw/zinc/20/94/76/204209476.db2.gz DPPLYJLOAKKLOJ-UHFFFAOYSA-N 0 0 390.830 3.220 10 30 GGEERN O=C(/C=N/OCC(=O)Nc1cccc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000006345312 204174370 /nfs/dbraw/zinc/17/43/70/204174370.db2.gz DKPDUYNSGALWOA-CIAFOILYSA-N 0 0 392.371 3.328 10 30 GGEERN COc1cc(/C=C\C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)ccc1O ZINC000006497861 204181412 /nfs/dbraw/zinc/18/14/12/204181412.db2.gz WTADVJZVWJZJJV-CLTKARDFSA-N 0 0 386.791 3.121 10 30 GGEERN COC(=O)c1c(N)c(-c2nc3ccccc3s2)nn1-c1ccc(C#N)cc1 ZINC000006650322 204187560 /nfs/dbraw/zinc/18/75/60/204187560.db2.gz RKJUDDQMBXCCPK-UHFFFAOYSA-N 0 0 375.413 3.389 10 30 GGEERN CC(=CC(=O)c1ccc(Cl)cc1)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000006652313 204189379 /nfs/dbraw/zinc/18/93/79/204189379.db2.gz YYBSXCZLQFODFH-MJZVBFJOSA-N 0 0 390.823 3.019 10 30 GGEERN CN(C)c1ccc(-c2nc3n(n2)[C@H](c2cccnc2)C2C(=O)CCCC2=N3)cc1 ZINC000006732534 204197214 /nfs/dbraw/zinc/19/72/14/204197214.db2.gz PNLJGTRYLJDVQH-HXUWFJFHSA-N 0 0 386.459 3.428 10 30 GGEERN COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(N(C)C)cc1 ZINC000006732347 204197283 /nfs/dbraw/zinc/19/72/83/204197283.db2.gz UGOKRZZUXDZGHQ-HXUWFJFHSA-N 0 0 394.471 3.286 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000007989244 204258057 /nfs/dbraw/zinc/25/80/57/204258057.db2.gz KQVDEXFSRBMXMG-SFHVURJKSA-N 0 0 384.457 3.245 10 30 GGEERN C[C@H](NC(=O)CSc1ncc(C#N)c(N)n1)c1ccc(Cl)c(Cl)c1 ZINC000007046912 204231383 /nfs/dbraw/zinc/23/13/83/204231383.db2.gz BOOXEFUCLDNLDE-QMMMGPOBSA-N 0 0 382.276 3.207 10 30 GGEERN Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C#N)c2=O)c(C)n1-c1ccccc1F ZINC000007121580 204233772 /nfs/dbraw/zinc/23/37/72/204233772.db2.gz VCJPXPODHBFVFZ-UHFFFAOYSA-N 0 0 394.362 3.058 10 30 GGEERN CCOC(=O)c1cc(C#N)c(SCC(=O)N(C)Cc2ccccc2)nc1C ZINC000007149702 204235342 /nfs/dbraw/zinc/23/53/42/204235342.db2.gz JUDUNZNCKXBGKZ-UHFFFAOYSA-N 0 0 383.473 3.189 10 30 GGEERN CCOC(=O)c1cc(C#N)c(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)nc1C ZINC000007149696 204235530 /nfs/dbraw/zinc/23/55/30/204235530.db2.gz OEGMZGBPRRWKEK-CHWSQXEVSA-N 0 0 375.494 3.035 10 30 GGEERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C)C(=O)N1CCc2ccccc21 ZINC000007672309 204245908 /nfs/dbraw/zinc/24/59/08/204245908.db2.gz DHLPCVIXJRUJPM-OAHLLOKOSA-N 0 0 389.411 3.385 10 30 GGEERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000007672301 204246389 /nfs/dbraw/zinc/24/63/89/204246389.db2.gz AZNJVUZVWMTMPG-AWEZNQCLSA-N 0 0 388.383 3.306 10 30 GGEERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C)C(=O)N(C)c1ccccc1 ZINC000007672266 204246396 /nfs/dbraw/zinc/24/63/96/204246396.db2.gz KDIYYXSUHPICSG-OAHLLOKOSA-N 0 0 377.400 3.459 10 30 GGEERN CC(N=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(OCC(N)=O)cc1 ZINC000007738101 204249129 /nfs/dbraw/zinc/24/91/29/204249129.db2.gz VJHHENABSHCGGK-LSHDLFTRSA-N 0 0 396.325 3.314 10 30 GGEERN CCCC(=O)OC1=C(C(C)=O)N(Cc2ccccc2)S(=O)(=O)c2ccccc21 ZINC000008654875 204283607 /nfs/dbraw/zinc/28/36/07/204283607.db2.gz PKWBKOLRVXZPSU-UHFFFAOYSA-N 0 0 399.468 3.492 10 30 GGEERN N#C[C@@]1(c2nnc3n2CCCCC3)Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]21 ZINC000008718024 204286251 /nfs/dbraw/zinc/28/62/51/204286251.db2.gz IAQJVDOIAZPKIE-NQIIRXRSSA-N 0 0 392.463 3.289 10 30 GGEERN COCCn1c2ccccc2nc1SCC(=O)Nc1oc(C)c(C)c1C#N ZINC000008744852 204287322 /nfs/dbraw/zinc/28/73/22/204287322.db2.gz YTFDKKYAQYRCAA-UHFFFAOYSA-N 0 0 384.461 3.495 10 30 GGEERN CCOc1ccc(NC(=O)CN(C)c2ccc(C#N)cc2[N+](=O)[O-])cc1OCC ZINC000008777276 204290371 /nfs/dbraw/zinc/29/03/71/204290371.db2.gz YOCZWGWWQWIOLO-UHFFFAOYSA-N 0 0 398.419 3.339 10 30 GGEERN N#Cc1ccccc1S(=O)(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008039977 204260239 /nfs/dbraw/zinc/26/02/39/204260239.db2.gz SAPFNTQYNCLHOT-KRWDZBQOSA-N 0 0 384.457 3.245 10 30 GGEERN N#Cc1cccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000008039980 204260858 /nfs/dbraw/zinc/26/08/58/204260858.db2.gz RHFHMQXNRQCVIF-GOSISDBHSA-N 0 0 384.457 3.245 10 30 GGEERN N#Cc1c2c(sc1NC(=O)CSc1nnnn1C1CCCCC1)CCC2 ZINC000008325648 204272590 /nfs/dbraw/zinc/27/25/90/204272590.db2.gz DYLQNUONGAMBNA-UHFFFAOYSA-N 0 0 388.522 3.331 10 30 GGEERN N#Cc1ccc(OCC(=O)Nc2nn3cc(-c4ccccc4)nc3s2)cc1 ZINC000009749793 204323172 /nfs/dbraw/zinc/32/31/72/204323172.db2.gz PZCQHKSNLKMJKX-UHFFFAOYSA-N 0 0 375.413 3.347 10 30 GGEERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCc1ccc(-n2cccn2)cc1 ZINC000010821019 204339795 /nfs/dbraw/zinc/33/97/95/204339795.db2.gz DLTCZSWCVPYESX-UHFFFAOYSA-N 0 0 385.427 3.409 10 30 GGEERN Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NCCCOC(C)C)n1 ZINC000010399326 204334204 /nfs/dbraw/zinc/33/42/04/204334204.db2.gz KRKSVTLSQBDMOB-UHFFFAOYSA-N 0 0 375.416 3.304 10 30 GGEERN C=CCn1c(SCC(=O)N[C@H](C)C(C)C)nc2sc(CC)cc2c1=O ZINC000003417723 204299940 /nfs/dbraw/zinc/29/99/40/204299940.db2.gz WZCKNWURWLKHOD-GFCCVEGCSA-N 0 0 379.551 3.459 10 30 GGEERN CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc(C#N)cc2)c1 ZINC000011327167 204345763 /nfs/dbraw/zinc/34/57/63/204345763.db2.gz FRLSNJJUFUYIJW-UHFFFAOYSA-N 0 0 378.837 3.118 10 30 GGEERN C[C@@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)N1CCOCC1 ZINC000011460707 204346600 /nfs/dbraw/zinc/34/66/00/204346600.db2.gz XRBVSNNIACZRES-OAHLLOKOSA-N 0 0 396.468 3.114 10 30 GGEERN N#Cc1c2c(sc1NC(=O)CSc1ncn(-c3ccccc3)n1)CCC2 ZINC000011475756 204346909 /nfs/dbraw/zinc/34/69/09/204346909.db2.gz RQZNOZFYXIHTOB-UHFFFAOYSA-N 0 0 381.486 3.420 10 30 GGEERN Cc1cc(=O)c(C(=O)OCc2ccccc2C#N)nn1-c1ccc(Cl)cc1 ZINC000011015144 204342123 /nfs/dbraw/zinc/34/21/23/204342123.db2.gz CJBISXFMDIOQKM-UHFFFAOYSA-N 0 0 379.803 3.423 10 30 GGEERN C[C@H](Sc1nc(N)c(-c2nc(-c3ccccc3)cs2)cc1C#N)C(N)=O ZINC000012700300 204435594 /nfs/dbraw/zinc/43/55/94/204435594.db2.gz AJRSDMZZBJSSMP-JTQLQIEISA-N 0 0 381.486 3.292 10 30 GGEERN N#CCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)cc1 ZINC000012760595 204443860 /nfs/dbraw/zinc/44/38/60/204443860.db2.gz QDIBIYUXLMQYID-UHFFFAOYSA-N 0 0 389.864 3.099 10 30 GGEERN COc1ccc(N2C[C@H](C(=O)Nc3sc(C)c(C)c3C#N)CC2=O)cc1OC ZINC000012913799 204463986 /nfs/dbraw/zinc/46/39/86/204463986.db2.gz JOMJEGGXDMVPRY-CYBMUJFWSA-N 0 0 399.472 3.245 10 30 GGEERN Cc1nn(-c2ccccc2)c(CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c1C#N ZINC000012914693 204464232 /nfs/dbraw/zinc/46/42/32/204464232.db2.gz FIFXWCLVVCNAST-SPLOXXLWSA-N 0 0 377.448 3.053 10 30 GGEERN CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000012913222 204464773 /nfs/dbraw/zinc/46/47/73/204464773.db2.gz ZBAMCDCOHZGGHG-OAHLLOKOSA-N 0 0 399.878 3.144 10 30 GGEERN O=C(NC1=N[C@H](c2ccccc2F)CC(=O)N1)c1ccc(OC(F)F)cc1 ZINC000020135666 204701755 /nfs/dbraw/zinc/70/17/55/204701755.db2.gz VQHXZANEANWHOK-AWEZNQCLSA-N 0 0 377.322 3.349 10 30 GGEERN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1cc(C#N)ccc1F ZINC000025819499 204836512 /nfs/dbraw/zinc/83/65/12/204836512.db2.gz NFOWQJKMBFVSIU-UHFFFAOYSA-N 0 0 387.480 3.291 10 30 GGEERN Cc1cccc(N2CCN(CC(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC000027382318 204854933 /nfs/dbraw/zinc/85/49/33/204854933.db2.gz FWISRTBFLAORPN-UHFFFAOYSA-N 0 0 380.517 3.178 10 30 GGEERN CCOC(=O)c1oc2c(c1C)/C(=N/NS(=O)(=O)c1ccc(C)cc1)CCC2 ZINC000040815377 205072659 /nfs/dbraw/zinc/07/26/59/205072659.db2.gz RVOYYPQIMUMVAC-HMMYKYKNSA-N 0 0 390.461 3.092 10 30 GGEERN CCCOC(=O)c1oc2c(c1C)/C(=N/NS(=O)(=O)c1ccccc1)CCC2 ZINC000040815115 205072868 /nfs/dbraw/zinc/07/28/68/205072868.db2.gz ABOMXHBVJDTWTF-HMMYKYKNSA-N 0 0 390.461 3.174 10 30 GGEERN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2c1C(=NNC(=N)N)CCC2 ZINC000040824905 205073242 /nfs/dbraw/zinc/07/32/42/205073242.db2.gz HAEUGJGJOMUAMA-BRJLIKDPSA-N 0 0 393.369 3.383 10 30 GGEERN COc1cccc([C@@H]2[C@H](Oc3cccc(C#N)c3)C(=O)N2C[C@@H]2CCCO2)c1 ZINC000048290925 205117912 /nfs/dbraw/zinc/11/79/12/205117912.db2.gz FLIKPLKQWZUDRQ-HBMCJLEFSA-N 0 0 378.428 3.077 10 30 GGEERN C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCCN(c3ncccc3C#N)CC2)o1 ZINC000055742302 205151150 /nfs/dbraw/zinc/15/11/50/205151150.db2.gz STIKINJFGCPPFO-VQIMIIECSA-N 0 0 378.476 3.341 10 30 GGEERN Cc1noc(C)c1CNC(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N ZINC000063112604 205185751 /nfs/dbraw/zinc/18/57/51/205185751.db2.gz LAODZIMZUHPKNC-UHFFFAOYSA-N 0 0 384.383 3.294 10 30 GGEERN CC(=O)N1CCCSc2ccc(S(=O)(=O)Nc3cccc(C#N)c3)cc21 ZINC000064952101 205202560 /nfs/dbraw/zinc/20/25/60/205202560.db2.gz ZDTJRZQQIRYKSI-UHFFFAOYSA-N 0 0 387.486 3.208 10 30 GGEERN N#Cc1ccc(C(=O)N[C@H](Cc2ccccc2)c2nnc(N3CCCC3)o2)cc1 ZINC000065202985 205217918 /nfs/dbraw/zinc/21/79/18/205217918.db2.gz SIOCHEIYXSCOBE-LJQANCHMSA-N 0 0 387.443 3.255 10 30 GGEERN N#Cc1cnc(NCc2nc(-c3ccccn3)c(-c3cccc(F)c3)[nH]2)nc1N ZINC000067973539 205270039 /nfs/dbraw/zinc/27/00/39/205270039.db2.gz GFQJVYZFEAFHFS-UHFFFAOYSA-N 0 0 386.394 3.134 10 30 GGEERN C=C1C[C@H]2[C@@H]3CC[C@@H](OS(N)(=O)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C=C12 ZINC000077293675 205357858 /nfs/dbraw/zinc/35/78/58/205357858.db2.gz BXBPPIUOJFDEQT-CNFQODSWSA-N 0 0 377.506 3.049 10 30 in-vitro GGEERN COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000079102737 205380534 /nfs/dbraw/zinc/38/05/34/205380534.db2.gz AJLZRJFRLNUGQW-ROUUACIJSA-N 0 0 398.459 3.434 10 30 GGEERN COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000079102746 205381356 /nfs/dbraw/zinc/38/13/56/205381356.db2.gz AJLZRJFRLNUGQW-QZTJIDSGSA-N 0 0 398.459 3.434 10 30 GGEERN N#Cc1oc2ccccc2c1NC(=O)CSc1nnc(C2CCCCC2)n1N ZINC000079182854 205383054 /nfs/dbraw/zinc/38/30/54/205383054.db2.gz IOGZHJWMOQBBCO-UHFFFAOYSA-N 0 0 396.476 3.388 10 30 GGEERN CC(C)C(=O)NCc1csc([C@@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)n1 ZINC000096372756 205562161 /nfs/dbraw/zinc/56/21/61/205562161.db2.gz WYKZWGQBLRAFLU-QGZVFWFLSA-N 0 0 396.516 3.307 10 30 GGEERN CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)/C=C\c1ccc(C#N)cc1 ZINC000096620012 205571755 /nfs/dbraw/zinc/57/17/55/205571755.db2.gz NICZODYBAJWBBL-XFXZXTDPSA-N 0 0 381.863 3.390 10 30 GGEERN COc1cccc([C@@H]2[C@@H](Oc3cccc(C#N)c3)C(=O)N2C[C@H]2CCCO2)c1 ZINC000106129160 205815422 /nfs/dbraw/zinc/81/54/22/205815422.db2.gz FLIKPLKQWZUDRQ-NJDAHSKKSA-N 0 0 378.428 3.077 10 30 GGEERN CS(=O)(=O)CC1(CNc2c(Br)cc(Cl)cc2C#N)CC1 ZINC000225652567 206064601 /nfs/dbraw/zinc/06/46/01/206064601.db2.gz YOPUUHDZFSIGEL-UHFFFAOYSA-N 0 0 377.691 3.211 10 30 GGEERN C/C(=N\OCc1nnc2c3cnn(-c4ccccc4)c3ncn12)c1ccccc1 ZINC000005274339 206216106 /nfs/dbraw/zinc/21/61/06/206216106.db2.gz ZBKMPSYNPJUNHJ-CVKSISIWSA-N 0 0 383.415 3.404 10 30 GGEERN COc1ccc(CCCN(C)C(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1OC ZINC000014020590 221297528 /nfs/dbraw/zinc/29/75/28/221297528.db2.gz HMAADGSTGGSUHQ-MRXNPFEDSA-N 0 0 382.460 3.434 10 30 GGEERN Cc1c(C(=O)N2CCCc3ccccc32)oc2c1/C(=N/NC(N)=S)CCC2 ZINC000040824544 132407927 /nfs/dbraw/zinc/40/79/27/132407927.db2.gz MAKSMGNMJPPNMG-HYARGMPZSA-N 0 0 382.489 3.055 10 30 GGEERN Cc1c([N+](=O)[O-])cc(C#N)cc1N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000042109758 132413061 /nfs/dbraw/zinc/41/30/61/132413061.db2.gz GRPGPKDSKGGULW-UHFFFAOYSA-N 0 0 377.404 3.259 10 30 GGEERN CC(=O)[C@@]1(O)C[C@@H](O)[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000065742813 518210566 /nfs/dbraw/zinc/21/05/66/518210566.db2.gz AZLZJMSZETWMPC-PJQRGUGJSA-N 0 0 390.907 3.008 10 30 in-vitro GGEERN C#CCN(C(=O)N[C@@H](C)c1cccc(NS(C)(=O)=O)c1)C1CCCCC1 ZINC000068586419 518252748 /nfs/dbraw/zinc/25/27/48/518252748.db2.gz VZEMFZIEYRZEKB-HNNXBMFYSA-N 0 0 377.510 3.097 10 30 GGEERN C#CCN1CCN(C(=O)Nc2cccc(COCCOc3ccccc3)c2)CC1 ZINC000095446513 518270772 /nfs/dbraw/zinc/27/07/72/518270772.db2.gz NYUDIANFXRLBGA-UHFFFAOYSA-N 0 0 393.487 3.065 10 30 GGEERN CC(=NNc1nnc(SCC(=O)Nc2cccc(C)c2)[nH]1)c1ccncc1 ZINC000020408238 518453948 /nfs/dbraw/zinc/45/39/48/518453948.db2.gz MMYOWEJHQPIOFH-XKZIYDEJSA-N 0 0 381.465 3.075 10 30 GGEERN CC(NCCOc1ccc(F)cc1)=[NH+][N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004199433 518454107 /nfs/dbraw/zinc/45/41/07/518454107.db2.gz QESDWSUDVYEZQI-UHFFFAOYSA-N 0 0 377.332 3.056 10 30 GGEERN C=C(Cl)CSc1nnc(CN2CCCCCC2=O)n1-c1cccnc1 ZINC000032727401 518653148 /nfs/dbraw/zinc/65/31/48/518653148.db2.gz YMEHXXUBEHXPNO-UHFFFAOYSA-N 0 0 377.901 3.410 10 30 GGEERN C=CCC[C@@H](O)CN(Cc1ccco1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000036159599 518718029 /nfs/dbraw/zinc/71/80/29/518718029.db2.gz NVYNYLMYSJALGJ-CQSZACIVSA-N 0 0 399.516 3.396 10 30 GGEERN C=CCN(C(=O)c1ccc(-c2ccccc2F)s1)[C@H]1CCS(=O)(=O)C1 ZINC000058216793 518737587 /nfs/dbraw/zinc/73/75/87/518737587.db2.gz UTFQERGYLHQDDE-ZDUSSCGKSA-N 0 0 379.478 3.370 10 30 GGEERN C=CCN(C(=O)c1cccc(OC)c1)[C@H](C)C(=O)c1c(C)[nH]c(C(=O)OC)c1C ZINC000036004253 518738971 /nfs/dbraw/zinc/73/89/71/518738971.db2.gz DCUDCQBXNVHUFC-OAHLLOKOSA-N 0 0 398.459 3.326 10 30 GGEERN C=CCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)N(C)C ZINC000035809379 518744103 /nfs/dbraw/zinc/74/41/03/518744103.db2.gz ABUKCEXNINOXEX-UHFFFAOYSA-N 0 0 383.492 3.329 10 30 GGEERN C=CCN(CC(=O)c1c(C)c(C(=O)OC)n(C)c1C)C(=O)c1ccc(C)cc1 ZINC000036014541 518761175 /nfs/dbraw/zinc/76/11/75/518761175.db2.gz PBFFEFLCVKDKRH-UHFFFAOYSA-N 0 0 382.460 3.248 10 30 GGEERN C=CCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000033274681 518885048 /nfs/dbraw/zinc/88/50/48/518885048.db2.gz AEKMBMWTWSFIQI-UHFFFAOYSA-N 0 0 390.892 3.475 10 30 GGEERN C=CCNC(=O)COc1ccccc1-c1noc(COc2ccc(F)cc2)n1 ZINC000033325182 518895657 /nfs/dbraw/zinc/89/56/57/518895657.db2.gz HZZNSVRTKVXZGS-UHFFFAOYSA-N 0 0 383.379 3.136 10 30 GGEERN C=CCNC(=O)c1cccn(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1=O ZINC000065062754 518944178 /nfs/dbraw/zinc/94/41/78/518944178.db2.gz UHMSYMNBFSNKTA-UHFFFAOYSA-N 0 0 391.402 3.145 10 30 GGEERN C=CCOc1ccc(/C=C/C(=O)Nc2ncc(C(N)=O)cc2Cl)cc1OC ZINC000058157677 519013810 /nfs/dbraw/zinc/01/38/10/519013810.db2.gz YOOYLRBYOHFRCC-FNORWQNLSA-N 0 0 387.823 3.059 10 30 GGEERN C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc(OCCC)cc1 ZINC000046017805 519079632 /nfs/dbraw/zinc/07/96/32/519079632.db2.gz CACOZXBUZZRGSM-OAHLLOKOSA-N 0 0 385.489 3.321 10 30 GGEERN C=CCc1c(C)nc2nc(SCC(=O)Nc3cccc(OC)c3)nn2c1C ZINC000003040477 519122831 /nfs/dbraw/zinc/12/28/31/519122831.db2.gz RLODGYKFLNLNBB-UHFFFAOYSA-N 0 0 383.477 3.209 10 30 GGEERN C=CCn1c(=O)c2c(ncn2Cc2cccc(C)c2)n(-c2ccc(F)cc2)c1=O ZINC000037558437 519157798 /nfs/dbraw/zinc/15/77/98/519157798.db2.gz NMLVUNJYDKKHIL-UHFFFAOYSA-N 0 0 390.418 3.031 10 30 GGEERN C=CCn1c(=O)oc2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc21 ZINC000035422111 519165217 /nfs/dbraw/zinc/16/52/17/519165217.db2.gz BJMKILMZGCDSSX-UHFFFAOYSA-N 0 0 397.862 3.396 10 30 GGEERN C=CCn1c(SCC(=O)N(C)Cc2ccccc2)nc2ccsc2c1=O ZINC000013985688 519198973 /nfs/dbraw/zinc/19/89/73/519198973.db2.gz UJVLHBHNNGIPDV-UHFFFAOYSA-N 0 0 385.514 3.395 10 30 GGEERN C=CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nc2ccccc2c1=O ZINC000006636386 519217825 /nfs/dbraw/zinc/21/78/25/519217825.db2.gz MRLNRDHVASTIHP-UHFFFAOYSA-N 0 0 394.500 3.379 10 30 GGEERN C=CCn1c(SCn2nnc3ccccc3c2=O)nnc1C1CCCCC1 ZINC000002649494 519248342 /nfs/dbraw/zinc/24/83/42/519248342.db2.gz QMAJLRKTXPGNSE-UHFFFAOYSA-N 0 0 382.493 3.367 10 30 GGEERN C=CCn1cc(Br)c(NC(=O)c2ccn(-c3cccc(F)c3)n2)n1 ZINC000095465512 519275459 /nfs/dbraw/zinc/27/54/59/519275459.db2.gz HBTKTFBLQIBUSY-UHFFFAOYSA-N 0 0 390.216 3.409 10 30 GGEERN CC(C)(O)C#Cc1ccc(C(=O)N2CCN(C/C=C\c3ccccc3)CC2)cc1 ZINC000034138213 519329174 /nfs/dbraw/zinc/32/91/74/519329174.db2.gz OSIQZCAEJAENEG-TWGQIWQCSA-N 0 0 388.511 3.280 10 30 GGEERN CCCCCCCC(=O)N(CCOC)Cc1ccc(OS(C)(=O)=O)cc1 ZINC000103148512 519960868 /nfs/dbraw/zinc/96/08/68/519960868.db2.gz GAZGZPQDEBUXCH-UHFFFAOYSA-N 0 0 385.526 3.361 10 30 GGEERN CCOCCOC(=NC(=O)c1ccc(C)cc1)NCc1ccc2c(c1)OCO2 ZINC000004807412 519972262 /nfs/dbraw/zinc/97/22/62/519972262.db2.gz IYTGNLNXRPOAPY-UHFFFAOYSA-N 0 0 384.432 3.063 10 30 GGEERN CCCCCCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O ZINC000102932843 519972406 /nfs/dbraw/zinc/97/24/06/519972406.db2.gz UXPLCBHXPBTYNT-UHFFFAOYSA-N 0 0 398.525 3.102 10 30 GGEERN CCCS(=O)(=O)N1CCC(=NOCc2coc(-c3cccs3)n2)CC1 ZINC000032935623 520518824 /nfs/dbraw/zinc/51/88/24/520518824.db2.gz CEIRMHIBFZRPJU-UHFFFAOYSA-N 0 0 383.495 3.111 10 30 GGEERN CC1(C)Cc2c(cnn2-c2ccccc2)C(=O)/C1=N\N=C1\c2ccccc2NC1=O ZINC000020095859 520577931 /nfs/dbraw/zinc/57/79/31/520577931.db2.gz MTBCHSCEHUGIEJ-SZXQPVLSSA-N 0 0 397.438 3.435 10 30 GGEERN CCOc1cc(/C=C2/C(=O)ON=C2C)ccc1OCC(=O)Nc1ccccc1 ZINC000001130189 520621973 /nfs/dbraw/zinc/62/19/73/520621973.db2.gz HGPBZSPKGFAEJN-GZTJUZNOSA-N 0 0 380.400 3.419 10 30 GGEERN O=C(OCC#Cc1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 ZINC000040157156 534552447 /nfs/dbraw/zinc/55/24/47/534552447.db2.gz BDQOSOHKLOAIPM-NRFANRHFSA-N 0 0 385.419 3.442 10 30 GGEERN CCCCn1nc(C(=O)Nc2ccc(OCC#N)cc2)c2ccccc2c1=O ZINC000032480761 521394695 /nfs/dbraw/zinc/39/46/95/521394695.db2.gz LYRBPCPIFWDNLJ-UHFFFAOYSA-N 0 0 376.416 3.351 10 30 GGEERN CCc1cccc2c(C(=O)CN3CCN([C@H](C)C(=O)NC4CC4)CC3)c[nH]c21 ZINC000040024844 521787629 /nfs/dbraw/zinc/78/76/29/521787629.db2.gz YOZCERFXDMTKTN-OAHLLOKOSA-N 0 0 382.508 3.038 10 30 GGEERN COc1cc(/C=C(/C(C)=O)C(=O)N2CCOCC2)ccc1OCc1ccccc1 ZINC000003246927 521922612 /nfs/dbraw/zinc/92/26/12/521922612.db2.gz NUUQNXRHTHUODD-ZHZULCJRSA-N 0 0 395.455 3.105 10 30 GGEERN COc1cc(/C=C/C(=O)OCC(=O)NCCC2=CCCCC2)ccc1OCC#N ZINC000003353422 521934447 /nfs/dbraw/zinc/93/44/47/521934447.db2.gz UGJZDIZEVWMBIW-CSKARUKUSA-N 0 0 398.459 3.161 10 30 GGEERN COc1cc(/C=N/O)cc(I)c1OC(=O)c1ccccc1 ZINC000013747712 521998234 /nfs/dbraw/zinc/99/82/34/521998234.db2.gz FYFMVVDEGUITCU-RQZCQDPDSA-N 0 0 397.168 3.327 10 30 GGEERN COc1cc(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc(Cl)c1OC ZINC000005429855 522172676 /nfs/dbraw/zinc/17/26/76/522172676.db2.gz ZWIYCRMYUHDOAA-LBPRGKRZSA-N 0 0 394.855 3.245 10 30 GGEERN CN(CCC#N)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000020441602 522673357 /nfs/dbraw/zinc/67/33/57/522673357.db2.gz QDVCJEFLQYALKS-GOSISDBHSA-N 0 0 377.897 3.205 10 30 GGEERN COC(=NC(=O)c1ccc(C(F)(F)F)cc1)NCc1ccc2c(c1)OCO2 ZINC000004573001 522734810 /nfs/dbraw/zinc/73/48/10/522734810.db2.gz HEVQQKNPCQGIRD-UHFFFAOYSA-N 0 0 380.322 3.367 10 30 GGEERN COCCCNC(=S)N/N=C/c1cccn1-c1ccc(C(F)(F)F)cc1 ZINC000004364504 523370589 /nfs/dbraw/zinc/37/05/89/523370589.db2.gz 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Cc1ccc(C(=O)N2CC[C@@]3(C2)Nc2cccnc2NC3=NC2CCCC2)cn1 ZINC000096310012 526126772 /nfs/dbraw/zinc/12/67/72/526126772.db2.gz WPNPFKIJLANZDA-QFIPXVFZSA-N 0 0 390.491 3.248 10 30 GGEERN N#CCCN(Cc1cccnc1)C(=S)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000005656959 526458377 /nfs/dbraw/zinc/45/83/77/526458377.db2.gz GSAMHSAEZFZZED-UHFFFAOYSA-N 0 0 382.533 3.415 10 30 GGEERN N#C[C@@H](C(=O)NCCc1ccc2c(c1)CCO2)c1nc2cc(F)ccc2s1 ZINC000095453900 526491705 /nfs/dbraw/zinc/49/17/05/526491705.db2.gz CXLFDBJCGPRUGS-HNNXBMFYSA-N 0 0 381.432 3.336 10 30 GGEERN N=C(Cn1ccc(C(F)(F)F)n1)NOC(=O)c1cccc(C(F)(F)F)c1 ZINC000004324192 526816491 /nfs/dbraw/zinc/81/64/91/526816491.db2.gz PBUFYSZRFULFCF-UHFFFAOYSA-N 0 0 380.248 3.050 10 30 GGEERN Cn1c(N=NCc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)c1ccccc1 ZINC000020423514 527073221 /nfs/dbraw/zinc/07/32/21/527073221.db2.gz MAGRCQITJYXIKA-YBFXNURJSA-N 0 0 396.432 3.144 10 30 GGEERN NC1=C(c2nc(-c3cccc(Cl)c3)cs2)C(=O)CN1C[C@@H]1CCCO1 ZINC000034769921 527136170 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/nfs/dbraw/zinc/23/21/86/564232186.db2.gz BMDPPRBCFIOJQE-AWEZNQCLSA-N 0 0 380.160 3.425 10 30 GGEERN N#Cc1cc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)ccc1F ZINC000118435599 564240583 /nfs/dbraw/zinc/24/05/83/564240583.db2.gz ZNXMDTZAQPVLJW-AWEZNQCLSA-N 0 0 376.306 3.418 10 30 GGEERN C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(Br)c3)cc2C1=O ZINC000007914231 564242809 /nfs/dbraw/zinc/24/28/09/564242809.db2.gz LXYFSEMIQWVZET-UHFFFAOYSA-N 0 0 385.217 3.483 10 30 GGEERN C=CCNC(=O)NC(=O)CSc1nnc(Nc2ccccc2Cl)s1 ZINC000009154651 564253102 /nfs/dbraw/zinc/25/31/02/564253102.db2.gz ZCCWJWZAIYSKKC-UHFFFAOYSA-N 0 0 383.886 3.039 10 30 GGEERN C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nc2ccsc2c1=O ZINC000009691187 564254007 /nfs/dbraw/zinc/25/40/07/564254007.db2.gz YVDSGLBDWZIBLE-CHWSQXEVSA-N 0 0 377.535 3.431 10 30 GGEERN C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2cccc(Br)c2)C1=O ZINC000012780484 564271657 /nfs/dbraw/zinc/27/16/57/564271657.db2.gz FSWCBCSATPRQQX-GOSISDBHSA-N 0 0 384.233 3.288 10 30 GGEERN CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1c[nH]cc(Br)c1=O ZINC000119768827 564288125 /nfs/dbraw/zinc/28/81/25/564288125.db2.gz ONDISVGONMENSV-UHFFFAOYSA-N 0 0 376.210 3.217 10 30 GGEERN N#Cc1cccc(CS(=O)(=O)NCc2cc(F)cc(Br)c2)c1 ZINC000120007766 564299948 /nfs/dbraw/zinc/29/99/48/564299948.db2.gz PNAIOSNVGCEVNR-UHFFFAOYSA-N 0 0 383.242 3.079 10 30 GGEERN C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1 ZINC000017917689 564300075 /nfs/dbraw/zinc/30/00/75/564300075.db2.gz WBVCUTNQIHPJBZ-UHFFFAOYSA-N 0 0 378.881 3.077 10 30 GGEERN N#Cc1ccc(F)c(CNC(=O)c2c(F)cccc2I)c1 ZINC000120054863 564301705 /nfs/dbraw/zinc/30/17/05/564301705.db2.gz DCOAMEOUXIKIHY-UHFFFAOYSA-N 0 0 398.150 3.371 10 30 GGEERN C=C(C)CN(CC)C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000120509427 564323817 /nfs/dbraw/zinc/32/38/17/564323817.db2.gz CHJWKWDEXIZLBH-UHFFFAOYSA-N 0 0 378.274 3.342 10 30 GGEERN N#CCOc1cccc(CC(=O)N2CCc3cccc(Br)c3C2)c1 ZINC000120521974 564324192 /nfs/dbraw/zinc/32/41/92/564324192.db2.gz NDMQONIYCIUHTO-UHFFFAOYSA-N 0 0 385.261 3.479 10 30 GGEERN N#Cc1c(F)cccc1N1CCN(C(=O)c2coc(Br)c2)CC1 ZINC000026025137 564343627 /nfs/dbraw/zinc/34/36/27/564343627.db2.gz OYCOBILTXGGPKM-UHFFFAOYSA-N 0 0 378.201 3.015 10 30 GGEERN C=CCOc1ccc(CN(C)CC(=O)Nc2ccc(Br)cn2)cc1 ZINC000028957330 564366246 /nfs/dbraw/zinc/36/62/46/564366246.db2.gz VMRWPVGVYFWHSL-UHFFFAOYSA-N 0 0 390.281 3.479 10 30 GGEERN N#Cc1ccc(NC(=O)N2CCN(c3ccc(Br)cn3)CC2)cc1 ZINC000031090483 564386527 /nfs/dbraw/zinc/38/65/27/564386527.db2.gz JBADGXZKSAVSGA-UHFFFAOYSA-N 0 0 386.253 3.070 10 30 GGEERN CCc1c(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)[nH]c(C)c1C(N)=O ZINC000121873576 564390766 /nfs/dbraw/zinc/39/07/66/564390766.db2.gz CAERNZUBSKXEAI-GFCCVEGCSA-N 0 0 379.247 3.286 10 30 GGEERN CCc1c(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)[nH]c(C)c1C(N)=O ZINC000121873404 564390819 /nfs/dbraw/zinc/39/08/19/564390819.db2.gz CAERNZUBSKXEAI-LBPRGKRZSA-N 0 0 379.247 3.286 10 30 GGEERN CCc1c(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)[nH]c(C)c1C(N)=O ZINC000122027985 564397240 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397.269 3.323 10 30 GGEERN N#C[C@@H](NC(=O)c1ccc(-c2ncon2)cc1)c1cccc(Br)c1 ZINC000107240324 564997386 /nfs/dbraw/zinc/99/73/86/564997386.db2.gz NKVFPBUSOWQIMU-OAHLLOKOSA-N 0 0 383.205 3.494 10 30 GGEERN COC(=O)c1cc(Br)ccc1NC(=O)N(CCC#N)CC1CC1 ZINC000153554144 565000431 /nfs/dbraw/zinc/00/04/31/565000431.db2.gz BKIJSCRTTSFETE-UHFFFAOYSA-N 0 0 380.242 3.393 10 30 GGEERN CCc1nc(CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cs1 ZINC000107704306 565002422 /nfs/dbraw/zinc/00/24/22/565002422.db2.gz WBYKJAQSJLCAER-UHFFFAOYSA-N 0 0 375.397 3.074 10 30 GGEERN C=CCOc1c(Br)cc(CN2CCC[C@H](NC(C)=O)C2)cc1OC ZINC000153881731 565014905 /nfs/dbraw/zinc/01/49/05/565014905.db2.gz SAPWRZUQFBYLAM-HNNXBMFYSA-N 0 0 397.313 3.123 10 30 GGEERN C=CCOc1c(Br)cc(CN2CCC[C@@H](NC(C)=O)C2)cc1OC ZINC000153881621 565015015 /nfs/dbraw/zinc/01/50/15/565015015.db2.gz SAPWRZUQFBYLAM-OAHLLOKOSA-N 0 0 397.313 3.123 10 30 GGEERN CCc1ccc(S(=O)(=O)N(CCC#N)c2ccc3c(c2)OCCO3)s1 ZINC000108761566 565016188 /nfs/dbraw/zinc/01/61/88/565016188.db2.gz UZXVAOUJRMWJRJ-UHFFFAOYSA-N 0 0 378.475 3.191 10 30 GGEERN COc1ccc([C@@H]2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)C2)cc1 ZINC000109961590 565034220 /nfs/dbraw/zinc/03/42/20/565034220.db2.gz AKDHDAMRBLIJBG-CQSZACIVSA-N 0 0 376.865 3.398 10 30 GGEERN COc1cc(C#N)cc(Br)c1OC[C@H](O)COc1ccc(C)cc1 ZINC000154474662 565040586 /nfs/dbraw/zinc/04/05/86/565040586.db2.gz RIZLAWQYRZPKHX-CQSZACIVSA-N 0 0 392.249 3.457 10 30 GGEERN COc1cc(C#N)cc(Br)c1OC[C@@H](O)COc1ccc(C)cc1 ZINC000154474554 565040752 /nfs/dbraw/zinc/04/07/52/565040752.db2.gz RIZLAWQYRZPKHX-AWEZNQCLSA-N 0 0 392.249 3.457 10 30 GGEERN COc1cc(C#N)cc(Br)c1OC[C@H](O)COCc1ccccc1 ZINC000154471797 565041007 /nfs/dbraw/zinc/04/10/07/565041007.db2.gz VOESLORCYUHXRC-OAHLLOKOSA-N 0 0 392.249 3.286 10 30 GGEERN N#Cc1ccsc1C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000110519841 565041513 /nfs/dbraw/zinc/04/15/13/565041513.db2.gz OOIQWUHCUVQMCH-GFCCVEGCSA-N 0 0 376.279 3.391 10 30 GGEERN CCCS(=O)(=O)Nc1cc(NC(=O)c2sccc2C#N)c(F)cc1F ZINC000110688758 565044110 /nfs/dbraw/zinc/04/41/10/565044110.db2.gz YTGDHZRVDIUMAK-UHFFFAOYSA-N 0 0 385.417 3.302 10 30 GGEERN Cc1ccccc1C(=O)NCC(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000154874899 565055399 /nfs/dbraw/zinc/05/53/99/565055399.db2.gz HIQMHSMAAKINHK-HNNXBMFYSA-N 0 0 376.243 3.413 10 30 GGEERN CCN(CCc1nccs1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000155341324 565066507 /nfs/dbraw/zinc/06/65/07/565066507.db2.gz PRHHMQYWGGQTLG-UHFFFAOYSA-N 0 0 389.424 3.287 10 30 GGEERN COc1cccc(NC(=O)COc2c(Br)cc(C#N)cc2OC)c1 ZINC000155378636 565066895 /nfs/dbraw/zinc/06/68/95/565066895.db2.gz OZHSYRICTKHKIN-UHFFFAOYSA-N 0 0 391.221 3.355 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)NCc1cccs1 ZINC000155383262 565066943 /nfs/dbraw/zinc/06/69/43/565066943.db2.gz PQCALJZKIQIGPX-UHFFFAOYSA-N 0 0 381.251 3.086 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)Nc1cccc(F)c1 ZINC000155378853 565066994 /nfs/dbraw/zinc/06/69/94/565066994.db2.gz BVTDFTNMEIICNN-UHFFFAOYSA-N 0 0 379.185 3.486 10 30 GGEERN C[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000112910701 565067031 /nfs/dbraw/zinc/06/70/31/565067031.db2.gz CXJYQYNYLALRNO-MEDUHNTESA-N 0 0 376.243 3.493 10 30 GGEERN C#Cc1cccc(NC(=O)CNc2ncnc3ccc(Br)cc32)c1 ZINC000112964974 565067165 /nfs/dbraw/zinc/06/71/65/565067165.db2.gz YNAKDTXCAZGGJP-UHFFFAOYSA-N 0 0 381.233 3.424 10 30 GGEERN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)Nc1ccccc1C#N ZINC000155444893 565067699 /nfs/dbraw/zinc/06/76/99/565067699.db2.gz NBSAMMHBVKYQST-UHFFFAOYSA-N 0 0 393.262 3.285 10 30 GGEERN COc1cc(NCC#Cc2ccc(Cl)cc2)ccc1S(=O)(=O)N(C)C ZINC000155453272 565068036 /nfs/dbraw/zinc/06/80/36/565068036.db2.gz GPJFGTYLDMIDEM-UHFFFAOYSA-N 0 0 378.881 3.063 10 30 GGEERN C=CCOCCCC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000155625949 565070111 /nfs/dbraw/zinc/07/01/11/565070111.db2.gz MGTHZWYAYJPXBB-UHFFFAOYSA-N 0 0 381.314 3.076 10 30 GGEERN C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@H](c2ccccc2)O1 ZINC000113943985 565071516 /nfs/dbraw/zinc/07/15/16/565071516.db2.gz MSIIBLDFNUWSAZ-SUMWQHHRSA-N 0 0 376.865 3.362 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCCc3ccc([N+](=O)[O-])cc32)ccc1Cl ZINC000114209037 565072657 /nfs/dbraw/zinc/07/26/57/565072657.db2.gz QIDUWVCOSQRIKJ-UHFFFAOYSA-N 0 0 377.809 3.261 10 30 GGEERN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1ccc(Cl)cc1Cl ZINC000156066905 565074611 /nfs/dbraw/zinc/07/46/11/565074611.db2.gz SYJPCDCUFTZTDB-UHFFFAOYSA-N 0 0 386.216 3.252 10 30 GGEERN Cn1cc(C#N)cc1C(=O)Nc1cc(I)ccc1Cl ZINC000156102697 565075075 /nfs/dbraw/zinc/07/50/75/565075075.db2.gz SIXQIKUPFAGRGF-UHFFFAOYSA-N 0 0 385.592 3.407 10 30 GGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(I)cc1Cl ZINC000183551439 565078780 /nfs/dbraw/zinc/07/87/80/565078780.db2.gz LIDPWCVXJFPLHL-SECBINFHSA-N 0 0 380.613 3.003 10 30 GGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cn(C)nc1C1CC1 ZINC000291893243 565084667 /nfs/dbraw/zinc/08/46/67/565084667.db2.gz WLIBOPDVZVOPQD-UHFFFAOYSA-N 0 0 378.885 3.166 10 30 GGEERN N#Cc1cccnc1-n1cc(NC(=O)c2cc(F)ccc2Br)cn1 ZINC000183645285 565084930 /nfs/dbraw/zinc/08/49/30/565084930.db2.gz UEAQAFMFZMKPHH-UHFFFAOYSA-N 0 0 386.184 3.293 10 30 GGEERN N#Cc1cccnc1-n1cc(NC(=O)c2ccc(Br)cc2F)cn1 ZINC000183664762 565085823 /nfs/dbraw/zinc/08/58/23/565085823.db2.gz ZAWXDFBCLVHYJL-UHFFFAOYSA-N 0 0 386.184 3.293 10 30 GGEERN N#Cc1cccnc1-n1cc(NC(=O)c2cc(F)c(Cl)nc2Cl)cn1 ZINC000183669547 565085979 /nfs/dbraw/zinc/08/59/79/565085979.db2.gz WYQVNCARZAQWOI-UHFFFAOYSA-N 0 0 377.166 3.232 10 30 GGEERN Cc1cccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1Br ZINC000183660948 565086391 /nfs/dbraw/zinc/08/63/91/565086391.db2.gz DPHRARYZTPASTH-UHFFFAOYSA-N 0 0 382.221 3.462 10 30 GGEERN N#Cc1cccnc1-n1cc(NC(=O)CCc2cccc(Br)c2)cn1 ZINC000183665669 565086542 /nfs/dbraw/zinc/08/65/42/565086542.db2.gz GBNBXUQKAJFLSZ-UHFFFAOYSA-N 0 0 396.248 3.473 10 30 GGEERN COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@H](C#N)c2ccc(Br)cc2)C1 ZINC000266824535 565092829 /nfs/dbraw/zinc/09/28/29/565092829.db2.gz LJRPVEVUJSDHBC-GZBFAFLISA-N 0 0 379.254 3.109 10 30 GGEERN CCOc1cc(C#N)cc(Br)c1OCC(=O)OCc1ocnc1C ZINC000292114982 565099040 /nfs/dbraw/zinc/09/90/40/565099040.db2.gz BDWLFFHUXPSZLV-UHFFFAOYSA-N 0 0 395.209 3.138 10 30 GGEERN CC(C)[C@@](C)(C#N)NC(=O)c1ncc(Br)cc1Br ZINC000183895775 565101257 /nfs/dbraw/zinc/10/12/57/565101257.db2.gz PSPWDNSXGQYTIX-GFCCVEGCSA-N 0 0 375.064 3.275 10 30 GGEERN N#Cc1ccc(-c2nnc(CN[C@@H](CO)c3cccc(Br)c3)o2)cc1 ZINC000183908999 565102638 /nfs/dbraw/zinc/10/26/38/565102638.db2.gz ARRMTNQLAXNYOU-INIZCTEOSA-N 0 0 399.248 3.194 10 30 GGEERN CCc1nc(C)c([C@@H](C)N(C)CCS(=O)(=O)c2cccc(C#N)c2)s1 ZINC000156784594 565105117 /nfs/dbraw/zinc/10/51/17/565105117.db2.gz MVDCSPXPYAQIBX-CQSZACIVSA-N 0 0 377.535 3.352 10 30 GGEERN N#Cc1ccc(O[C@@H]2CCN(C(=O)c3csc(Br)c3)C2)nc1 ZINC000292454095 565116343 /nfs/dbraw/zinc/11/63/43/565116343.db2.gz SXZYPGOALXPBSC-GFCCVEGCSA-N 0 0 378.251 3.071 10 30 GGEERN CCOC(=O)C1(COC)CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000370110613 565127738 /nfs/dbraw/zinc/12/77/38/565127738.db2.gz GXENYZZZVGQQSV-UHFFFAOYSA-N 0 0 395.297 3.112 10 30 GGEERN C[C@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184334586 565129743 /nfs/dbraw/zinc/12/97/43/565129743.db2.gz KQGUZZNXZIBTNB-SUMWQHHRSA-N 0 0 376.865 3.362 10 30 GGEERN N#Cc1ccsc1NC(=O)CN[C@H]1CCOc2c(Br)cccc21 ZINC000370292928 565136583 /nfs/dbraw/zinc/13/65/83/565136583.db2.gz APCNMFOMUDGZQR-ZDUSSCGKSA-N 0 0 392.278 3.434 10 30 GGEERN N#Cc1ccc(OC2CCN(C(=O)c3cccnc3Br)CC2)cc1 ZINC000268165882 565143321 /nfs/dbraw/zinc/14/33/21/565143321.db2.gz DHIMGOGDQMLSJL-UHFFFAOYSA-N 0 0 386.249 3.399 10 30 GGEERN CCn1nc(C)c(CC(=O)N[C@H](C#N)c2ccc(Br)cc2)c1C ZINC000292972595 565144268 /nfs/dbraw/zinc/14/42/68/565144268.db2.gz LHPCVRLGPRNJKS-MRXNPFEDSA-N 0 0 375.270 3.206 10 30 GGEERN N#Cc1cccnc1-n1cc(NC(=O)NCc2cccc(Br)c2)cn1 ZINC000184638068 565149929 /nfs/dbraw/zinc/14/99/29/565149929.db2.gz CRGXTUJPBQUZAK-UHFFFAOYSA-N 0 0 397.236 3.223 10 30 GGEERN C=CC[C@@H](CO)NC(=O)Nc1cc(C(=O)OC(C)(C)C)ccc1Br ZINC000184828513 565159206 /nfs/dbraw/zinc/15/92/06/565159206.db2.gz WULVUUXJDVPXBG-LBPRGKRZSA-N 0 0 399.285 3.463 10 30 GGEERN C=CCC[C@H](NS(=O)(=O)c1ccccc1S(C)(=O)=O)c1ccccc1 ZINC000158179636 565160447 /nfs/dbraw/zinc/16/04/47/565160447.db2.gz CXRAEKLMCVZNJL-INIZCTEOSA-N 0 0 379.503 3.076 10 30 GGEERN CC(C)c1n[nH]c(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000269360795 565187644 /nfs/dbraw/zinc/18/76/44/565187644.db2.gz JIVJDRFSXZKCEA-NSHDSACASA-N 0 0 392.213 3.198 10 30 GGEERN C[C@@H](CC(=O)NC[C@H]1CCCN(CC#N)C1)c1ccc(Br)cc1 ZINC000269541571 565193999 /nfs/dbraw/zinc/19/39/99/565193999.db2.gz PYBNKYZSCBHKKH-LSDHHAIUSA-N 0 0 378.314 3.294 10 30 GGEERN C=C(C)C[C@@H](C)C(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000185379524 565198030 /nfs/dbraw/zinc/19/80/30/565198030.db2.gz NYKGCQBTZYFPOL-CYBMUJFWSA-N 0 0 390.958 3.227 10 30 GGEERN C=CC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC000185383668 565198209 /nfs/dbraw/zinc/19/82/09/565198209.db2.gz NDOMCUCMETVLNI-XJKSGUPXSA-N 0 0 387.307 3.191 10 30 GGEERN COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000185433791 565201492 /nfs/dbraw/zinc/20/14/92/565201492.db2.gz KGHCRSUUVQPHAE-NSHDSACASA-N 0 0 395.278 3.369 10 30 GGEERN CCN(C[C@@H]1CCN(C(=O)Nc2snc(C)c2C#N)C1)CC(F)(F)F ZINC000294273366 565206280 /nfs/dbraw/zinc/20/62/80/565206280.db2.gz SBIITCRMMBZJDD-NSHDSACASA-N 0 0 375.420 3.061 10 30 GGEERN C=CCOc1c(Br)cc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)cc1OC ZINC000159603548 565212628 /nfs/dbraw/zinc/21/26/28/565212628.db2.gz MQPNLXUHIFYQAD-JSGCOSHPSA-N 0 0 397.313 3.108 10 30 GGEERN C=CCOc1c(Br)cc(CN2C[C@@H](C(N)=O)CC[C@H]2C)cc1OC ZINC000159603418 565213028 /nfs/dbraw/zinc/21/30/28/565213028.db2.gz MQPNLXUHIFYQAD-OCCSQVGLSA-N 0 0 397.313 3.108 10 30 GGEERN COc1cc(C#N)ccc1S(=O)(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000185664314 565214794 /nfs/dbraw/zinc/21/47/94/565214794.db2.gz FOXKNNRLPCGZPE-ZDUSSCGKSA-N 0 0 378.881 3.472 10 30 GGEERN C=CC[C@H](CO)NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000185682557 565216186 /nfs/dbraw/zinc/21/61/86/565216186.db2.gz YAMFXYRIZNHZID-GFCCVEGCSA-N 0 0 379.463 3.178 10 30 GGEERN C=CC[C@H](CO)NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000185707642 565217066 /nfs/dbraw/zinc/21/70/66/565217066.db2.gz HMRVOZQOCWSUJL-CQSZACIVSA-N 0 0 377.238 3.303 10 30 GGEERN C=CC[C@H](CO)NC(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C ZINC000185790720 565221729 /nfs/dbraw/zinc/22/17/29/565221729.db2.gz REIDJUBMJDWSMV-CYBMUJFWSA-N 0 0 382.291 3.392 10 30 GGEERN C=CC[C@@H](CO)NC(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000185823017 565223534 /nfs/dbraw/zinc/22/35/34/565223534.db2.gz PFCLLOYHSNDCKM-AWEZNQCLSA-N 0 0 377.238 3.303 10 30 GGEERN C=CC[C@@H](CO)NC(=O)c1cccnc1Oc1ccc(Br)cc1 ZINC000185857661 565224672 /nfs/dbraw/zinc/22/46/72/565224672.db2.gz NPHGTTZPGDGJCY-ZDUSSCGKSA-N 0 0 377.238 3.303 10 30 GGEERN C=CC[C@@H](CO)NC(=O)c1ccc(NC(=O)CSc2cccs2)cc1 ZINC000185880378 565226629 /nfs/dbraw/zinc/22/66/29/565226629.db2.gz IFNNLKBJBUCREQ-HNNXBMFYSA-N 0 0 376.503 3.146 10 30 GGEERN C=CC[C@H](CO)NC(=O)c1ccccc1C(=O)c1ccc(Br)cc1 ZINC000185904885 565227434 /nfs/dbraw/zinc/22/74/34/565227434.db2.gz OKBIGVZVJGMZNT-OAHLLOKOSA-N 0 0 388.261 3.347 10 30 GGEERN CCn1cc(Br)c(=O)c(NC(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000160079129 565230020 /nfs/dbraw/zinc/23/00/20/565230020.db2.gz YLDBRVIXBKHQCH-UHFFFAOYSA-N 0 0 380.629 3.408 10 30 GGEERN CCn1c(Cn2c(C)c(Br)cc(C#N)c2=O)nc2cc(F)ccc21 ZINC000185929287 565230222 /nfs/dbraw/zinc/23/02/22/565230222.db2.gz RZVIMQWGKUXFAU-UHFFFAOYSA-N 0 0 389.228 3.348 10 30 GGEERN N#C[C@H](C(=O)Nc1cccc(Br)c1)c1nccn1CC(F)(F)F ZINC000160130442 565231652 /nfs/dbraw/zinc/23/16/52/565231652.db2.gz BOXBZVHCEBYPHI-NSHDSACASA-N 0 0 387.159 3.454 10 30 GGEERN COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000186125542 565242296 /nfs/dbraw/zinc/24/22/96/565242296.db2.gz ZJMJVJZSTJXQKA-LLVKDONJSA-N 0 0 380.853 3.268 10 30 GGEERN N#Cc1ccc(OC2CCN(C(=O)c3cccc(Br)n3)CC2)cc1 ZINC000271227366 565243588 /nfs/dbraw/zinc/24/35/88/565243588.db2.gz AXVZLDWEWIVNPK-UHFFFAOYSA-N 0 0 386.249 3.399 10 30 GGEERN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2ccc(Br)cc2C#N)C1 ZINC000295205582 565251589 /nfs/dbraw/zinc/25/15/89/565251589.db2.gz WPISYKNNBLYFJE-LLVKDONJSA-N 0 0 379.254 3.125 10 30 GGEERN N#C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2Br)CCN1C1CC1 ZINC000372780874 565254664 /nfs/dbraw/zinc/25/46/64/565254664.db2.gz AVVAFFUSFPHNDA-GFCCVEGCSA-N 0 0 383.677 3.307 10 30 GGEERN C[C@@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@H](c2ccccc2)O1 ZINC000186424910 565261089 /nfs/dbraw/zinc/26/10/89/565261089.db2.gz WXFUIAACLMKSIZ-CXAGYDPISA-N 0 0 376.865 3.362 10 30 GGEERN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CN1CCC(C)(C#N)CC1 ZINC000295383232 565262511 /nfs/dbraw/zinc/26/25/11/565262511.db2.gz KQYQGQBSQSCNHP-CYBMUJFWSA-N 0 0 394.313 3.088 10 30 GGEERN CC1(C#N)CCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000372973862 565262685 /nfs/dbraw/zinc/26/26/85/565262685.db2.gz KMIHUSDUOFUAOT-CYBMUJFWSA-N 0 0 380.275 3.499 10 30 GGEERN N#Cc1cc(Br)cnc1N1CCC(NC(=O)c2ccsc2)CC1 ZINC000295458390 565267143 /nfs/dbraw/zinc/26/71/43/565267143.db2.gz HNWRTGABDOUUQF-UHFFFAOYSA-N 0 0 391.294 3.176 10 30 GGEERN COC(=O)[C@@](C)(NC(=O)c1cc(C#N)cn1C)c1ccc(Cl)c(Cl)c1 ZINC000186563200 565268767 /nfs/dbraw/zinc/26/87/67/565268767.db2.gz VQGBCLYTVHLTCP-KRWDZBQOSA-N 0 0 380.231 3.022 10 30 GGEERN N#Cc1cnc(N2CCO[C@@H](c3ccc(Br)cc3)C2)c([N+](=O)[O-])c1 ZINC000295541034 565272463 /nfs/dbraw/zinc/27/24/63/565272463.db2.gz OIMHUFVNLFTGFK-OAHLLOKOSA-N 0 0 389.209 3.202 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)N(CCO)Cc1cc(Br)ccc1F ZINC000161084191 565272851 /nfs/dbraw/zinc/27/28/51/565272851.db2.gz SGTIQEXRAWNNAP-UHFFFAOYSA-N 0 0 391.240 3.403 10 30 GGEERN N#CC1(c2ccc(C(=O)N[C@@H](CO)c3ccc(Br)cc3)cc2)CC1 ZINC000271955036 565273246 /nfs/dbraw/zinc/27/32/46/565273246.db2.gz DDECRFJDAQRRLR-KRWDZBQOSA-N 0 0 385.261 3.468 10 30 GGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(Cl)cc1I ZINC000186654387 565274606 /nfs/dbraw/zinc/27/46/06/565274606.db2.gz OZHCSIZFAUMKQS-VIFPVBQESA-N 0 0 380.613 3.003 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)C1 ZINC000295618165 565276806 /nfs/dbraw/zinc/27/68/06/565276806.db2.gz VKIPPLSMEBDUPA-IHRRRGAJSA-N 0 0 390.281 3.001 10 30 GGEERN COCCCOc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000295631347 565277087 /nfs/dbraw/zinc/27/70/87/565277087.db2.gz CSQDSOPELYGOGR-ZFWWWQNUSA-N 0 0 386.901 3.116 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000295630586 565277200 /nfs/dbraw/zinc/27/72/00/565277200.db2.gz XDOBOSFXVPQQIJ-UWVGGRQHSA-N 0 0 399.188 3.012 10 30 GGEERN Cc1c(Br)cc(C#N)c(=O)n1Cc1nccn1Cc1ccccc1 ZINC000186704081 565279812 /nfs/dbraw/zinc/27/98/12/565279812.db2.gz JKHLCJUMOFPUBU-UHFFFAOYSA-N 0 0 383.249 3.084 10 30 GGEERN CC(C)(C)c1csc(CCNS(=O)(=O)Cc2ccc(F)cc2C#N)n1 ZINC000295716418 565282770 /nfs/dbraw/zinc/28/27/70/565282770.db2.gz NSQSVRRABNRTHP-UHFFFAOYSA-N 0 0 381.498 3.113 10 30 GGEERN COc1cc(C)c(Br)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000295771086 565285853 /nfs/dbraw/zinc/28/58/53/565285853.db2.gz PWVPUTNGRDXVMG-RYUDHWBXSA-N 0 0 387.299 3.127 10 30 GGEERN Cc1ccc(CC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1Br ZINC000186792932 565286618 /nfs/dbraw/zinc/28/66/18/565286618.db2.gz AVTDDHSGUPRDAG-UHFFFAOYSA-N 0 0 396.248 3.391 10 30 GGEERN CCOc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CC#N)C2)cc1Br ZINC000295785762 565286886 /nfs/dbraw/zinc/28/68/86/565286886.db2.gz REFKCSITBGWVSY-RYUDHWBXSA-N 0 0 387.299 3.208 10 30 GGEERN COc1ccc(C(=O)N2CCC(C)(C#N)CC2)cc1I ZINC000272499928 565288698 /nfs/dbraw/zinc/28/86/98/565288698.db2.gz GPSRQOAMOJSQAC-UHFFFAOYSA-N 0 0 384.217 3.066 10 30 GGEERN CC1(C#N)CCN(S(=O)(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000272482709 565289015 /nfs/dbraw/zinc/28/90/15/565289015.db2.gz OSHYLNAZPHXRJB-UHFFFAOYSA-N 0 0 377.691 3.417 10 30 GGEERN COc1ccc(I)c(NC(=O)N2CCC(C)(C#N)CC2)c1 ZINC000272514838 565289291 /nfs/dbraw/zinc/28/92/91/565289291.db2.gz KMYMQGDUCYEAHJ-UHFFFAOYSA-N 0 0 399.232 3.457 10 30 GGEERN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CCC(C)(C#N)CC1 ZINC000272487029 565289409 /nfs/dbraw/zinc/28/94/09/565289409.db2.gz BUGGLGSDFISTJV-UHFFFAOYSA-N 0 0 384.263 3.344 10 30 GGEERN CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000272476474 565289413 /nfs/dbraw/zinc/28/94/13/565289413.db2.gz DWZIXLUNKOGKDL-UHFFFAOYSA-N 0 0 384.661 3.193 10 30 GGEERN N#CC[C@@H]1CC[C@H](NS(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000295884228 565291432 /nfs/dbraw/zinc/29/14/32/565291432.db2.gz ZZAWHAXIWLMYDQ-IUCAKERBSA-N 0 0 379.226 3.088 10 30 GGEERN C[C@]12CCN(S(=O)(=O)Cc3ccc(F)cc3C#N)C[C@H]1C2(Cl)Cl ZINC000295867822 565291608 /nfs/dbraw/zinc/29/16/08/565291608.db2.gz FLECJFMWAKRLPI-KGLIPLIRSA-N 0 0 377.268 3.043 10 30 GGEERN C[C@@]12CCN(S(=O)(=O)Cc3ccc(F)cc3C#N)C[C@@H]1C2(Cl)Cl ZINC000295867826 565292053 /nfs/dbraw/zinc/29/20/53/565292053.db2.gz FLECJFMWAKRLPI-UONOGXRCSA-N 0 0 377.268 3.043 10 30 GGEERN C=CCOc1c(Br)cc(CNCc2nnc(CC)[nH]2)cc1OCC ZINC000295931885 565293620 /nfs/dbraw/zinc/29/36/20/565293620.db2.gz FRNGHVDVTPPKPB-UHFFFAOYSA-N 0 0 395.301 3.383 10 30 GGEERN N#C[C@@H](NC(=O)c1cccn1-c1cccc(I)c1)C1CC1 ZINC000161795580 565294518 /nfs/dbraw/zinc/29/45/18/565294518.db2.gz GBSKZNAATGLSOR-CQSZACIVSA-N 0 0 391.212 3.114 10 30 GGEERN Cc1cc(Br)ccc1NC(=O)CNC(=O)N1CCC(C)(C#N)CC1 ZINC000272702621 565294508 /nfs/dbraw/zinc/29/45/08/565294508.db2.gz ZIJASYLOLUGIDO-UHFFFAOYSA-N 0 0 393.285 3.031 10 30 GGEERN COc1cc(Br)ccc1CNC(=O)NCc1cc(C#N)ccc1F ZINC000186926829 565294844 /nfs/dbraw/zinc/29/48/44/565294844.db2.gz PKAYGWIBSHIYMZ-UHFFFAOYSA-N 0 0 392.228 3.468 10 30 GGEERN Cc1ccc(I)c(C(=O)NC2(C#N)CCSCC2)c1 ZINC000162304256 565312239 /nfs/dbraw/zinc/31/22/39/565312239.db2.gz BINUCMOCCWVRMW-UHFFFAOYSA-N 0 0 386.258 3.119 10 30 GGEERN N#CCC1(CNC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000373768155 565302311 /nfs/dbraw/zinc/30/23/11/565302311.db2.gz DBIXKXMZEODNFR-CQSZACIVSA-N 0 0 391.313 3.268 10 30 GGEERN N#CCC1(CNC(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000373780838 565302826 /nfs/dbraw/zinc/30/28/26/565302826.db2.gz FOVUBUMBWNDALV-CQSZACIVSA-N 0 0 391.313 3.268 10 30 GGEERN N#CCC1(CNC(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000373780837 565303339 /nfs/dbraw/zinc/30/33/39/565303339.db2.gz FOVUBUMBWNDALV-AWEZNQCLSA-N 0 0 391.313 3.268 10 30 GGEERN N#Cc1ncccc1S(=O)(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000373794717 565303801 /nfs/dbraw/zinc/30/38/01/565303801.db2.gz IYJXLVUSTKFZFH-NSHDSACASA-N 0 0 398.307 3.303 10 30 GGEERN C[C@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)c1nc(C(F)(F)F)cs1 ZINC000296151005 565304483 /nfs/dbraw/zinc/30/44/83/565304483.db2.gz KDGVVYVSQRGRRF-QMMMGPOBSA-N 0 0 393.387 3.353 10 30 GGEERN CC1(C#N)CCN(C(=O)/C=C/c2cc(Br)c3c(c2)OCCO3)CC1 ZINC000273061512 565305997 /nfs/dbraw/zinc/30/59/97/565305997.db2.gz YIGHVGFVTHIMBX-NSCUHMNNSA-N 0 0 391.265 3.386 10 30 GGEERN Cc1ccc(F)c(NC(=O)C(=O)N[C@H]2CC[C@@H](CC#N)C2)c1Br ZINC000296189612 565306433 /nfs/dbraw/zinc/30/64/33/565306433.db2.gz BYZWPQBHHHZZMS-QWRGUYRKSA-N 0 0 382.233 3.034 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)NCCC(=O)Nc1ccc(Br)cc1 ZINC000162329889 565313519 /nfs/dbraw/zinc/31/35/19/565313519.db2.gz NPFQKGWECHARSA-UHFFFAOYSA-N 0 0 386.249 3.388 10 30 GGEERN CC(C)CC(=O)N[C@@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)C(C)C ZINC000162367258 565314820 /nfs/dbraw/zinc/31/48/20/565314820.db2.gz ROXSTRFZKLEMSO-NVXWUHKLSA-N 0 0 394.313 3.317 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCO[C@@H](c3ccc(Cl)s3)C2)ccc1F ZINC000374081661 565318199 /nfs/dbraw/zinc/31/81/99/565318199.db2.gz VQFAMFGQJAQRFD-CYBMUJFWSA-N 0 0 386.857 3.174 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCO[C@H](c3ccc(Cl)s3)C2)ccc1F ZINC000374081666 565318775 /nfs/dbraw/zinc/31/87/75/565318775.db2.gz VQFAMFGQJAQRFD-ZDUSSCGKSA-N 0 0 386.857 3.174 10 30 GGEERN COCc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(C#N)c2)o1 ZINC000162507792 565318924 /nfs/dbraw/zinc/31/89/24/565318924.db2.gz WOEXFSQEUCIGSX-MRXNPFEDSA-N 0 0 380.853 3.477 10 30 GGEERN N#CC1CCC(CNC(=O)c2ccc(I)cc2F)CC1 ZINC000296487311 565319177 /nfs/dbraw/zinc/31/91/77/565319177.db2.gz YPXCACAYIZMAMT-UHFFFAOYSA-N 0 0 386.208 3.490 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cccc(Br)c2Cl)C1 ZINC000296528551 565321799 /nfs/dbraw/zinc/32/17/99/565321799.db2.gz NMQANJPLGBCILR-UWVGGRQHSA-N 0 0 384.661 3.240 10 30 GGEERN N#CCc1ccc(OC[C@@H](O)CSc2nnc(C(F)(F)F)s2)cc1 ZINC000187363591 565326650 /nfs/dbraw/zinc/32/66/50/565326650.db2.gz GBCQIUKMVSURNW-SNVBAGLBSA-N 0 0 375.397 3.155 10 30 GGEERN CC(C)(C)[C@@H](C#N)NC(=O)c1ncc(Br)cc1Br ZINC000273606897 565327265 /nfs/dbraw/zinc/32/72/65/565327265.db2.gz NFKOYBOIEPUADR-SECBINFHSA-N 0 0 375.064 3.275 10 30 GGEERN COc1ccc(CN2C(=O)N[C@@](C)(c3ccc(Cl)s3)C2=O)cc1C#N ZINC000162989982 565333678 /nfs/dbraw/zinc/33/36/78/565333678.db2.gz BYFCIIICSWAJSP-KRWDZBQOSA-N 0 0 375.837 3.249 10 30 GGEERN N#Cc1cc(Br)cnc1N1CCC(Oc2ncccc2F)CC1 ZINC000296794490 565336744 /nfs/dbraw/zinc/33/67/44/565336744.db2.gz OKXKXMJYGALNEM-UHFFFAOYSA-N 0 0 377.217 3.298 10 30 GGEERN N#Cc1cc(Br)ccc1C(=O)N[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000296801212 565337861 /nfs/dbraw/zinc/33/78/61/565337861.db2.gz BNMOQDPBAHUSNH-NVXWUHKLSA-N 0 0 386.249 3.366 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)C1 ZINC000296799702 565338009 /nfs/dbraw/zinc/33/80/09/565338009.db2.gz IOFHUEDFGDMPLU-PKFCDNJMSA-N 0 0 382.233 3.403 10 30 GGEERN C#Cc1cccc(NC(=O)C(=O)N[C@H]2CCOc3c(Br)cccc32)c1 ZINC000374428701 565339147 /nfs/dbraw/zinc/33/91/47/565339147.db2.gz KDCPJVIHHPQFFB-INIZCTEOSA-N 0 0 399.244 3.009 10 30 GGEERN CN(C(=O)[C@H]1CCN(c2ncc(Br)cc2C#N)C1)c1ccccc1 ZINC000296840384 565339822 /nfs/dbraw/zinc/33/98/22/565339822.db2.gz SPPANZXTKCTNQB-ZDUSSCGKSA-N 0 0 385.265 3.205 10 30 GGEERN N#Cc1cc(S(=O)(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)ccc1Cl ZINC000163361674 565343402 /nfs/dbraw/zinc/34/34/02/565343402.db2.gz IKHHINJBPOTKEL-CRAIPNDOSA-N 0 0 376.865 3.410 10 30 GGEERN N#Cc1cc(S(=O)(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)ccc1Cl ZINC000163361778 565343818 /nfs/dbraw/zinc/34/38/18/565343818.db2.gz IKHHINJBPOTKEL-YJBOKZPZSA-N 0 0 376.865 3.410 10 30 GGEERN C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000374584394 565346074 /nfs/dbraw/zinc/34/60/74/565346074.db2.gz KLJCDDDNVZHXDU-MNOVXSKESA-N 0 0 392.344 3.126 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)C1 ZINC000296942631 565346539 /nfs/dbraw/zinc/34/65/39/565346539.db2.gz ONNZPYNQAMZTDA-RRUGBERISA-N 0 0 375.881 3.467 10 30 GGEERN CC[C@H](NC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F)[C@@H](O)C(F)F ZINC000297032987 565351729 /nfs/dbraw/zinc/35/17/29/565351729.db2.gz WVOWCHYBHOHQDY-GDPRMGEGSA-N 0 0 376.272 3.272 10 30 GGEERN N#Cc1ccc(NCc2cnc(N3CCOCC3)c(F)c2)c(Br)c1 ZINC000274146826 565358414 /nfs/dbraw/zinc/35/84/14/565358414.db2.gz IAFDXMQORROHOS-UHFFFAOYSA-N 0 0 391.244 3.304 10 30 GGEERN CCOc1cc(C#N)cc(Br)c1OC(=O)C[C@@H]1CCOC[C@@H]1OC ZINC000297385490 565369891 /nfs/dbraw/zinc/36/98/91/565369891.db2.gz ABPHIEJGMGDRSK-WFASDCNBSA-N 0 0 398.253 3.066 10 30 GGEERN CCOc1cc(C#N)cc(Br)c1OC(=O)C[C@H]1CCOC[C@H]1OC ZINC000297385487 565369999 /nfs/dbraw/zinc/36/99/99/565369999.db2.gz ABPHIEJGMGDRSK-IUODEOHRSA-N 0 0 398.253 3.066 10 30 GGEERN Cc1nsc(NC(=O)N(C)[C@H](CO)c2cccc(Br)c2)c1C#N ZINC000297380895 565370172 /nfs/dbraw/zinc/37/01/72/565370172.db2.gz IMZKBVJEWQFJKX-CYBMUJFWSA-N 0 0 395.282 3.283 10 30 GGEERN CN1CCN(c2ccc(Br)cc2C#N)C[C@H]1c1nc(C2CC2)no1 ZINC000375258320 565378298 /nfs/dbraw/zinc/37/82/98/565378298.db2.gz NRQIXEHXWBMREX-HNNXBMFYSA-N 0 0 388.269 3.074 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)c2ccc(I)c([N+](=O)[O-])c2)C1 ZINC000297651303 565380938 /nfs/dbraw/zinc/38/09/38/565380938.db2.gz FCUOWYPIPFMNJI-ONGXEEELSA-N 0 0 399.188 3.012 10 30 GGEERN C[C@@](O)(CNC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1)C(F)(F)F ZINC000275175940 565395866 /nfs/dbraw/zinc/39/58/66/565395866.db2.gz XVLYBTIQQYMWGP-ZYHUDNBSSA-N 0 0 376.272 3.432 10 30 GGEERN CN(C[C@@H](O)c1ccccc1Br)C(=O)NCC1CCC(C#N)CC1 ZINC000298051773 565397425 /nfs/dbraw/zinc/39/74/25/565397425.db2.gz SPHNCNQODGNRFT-MQBCKMQZSA-N 0 0 394.313 3.454 10 30 GGEERN Cc1cc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)ccc1Br ZINC000170939745 565399259 /nfs/dbraw/zinc/39/92/59/565399259.db2.gz PWPTVCVNKJJGPQ-UHFFFAOYSA-N 0 0 390.212 3.023 10 30 GGEERN N#Cc1ccc(CNC(=O)c2cc(Br)c3c(c2)OCCO3)c(F)c1 ZINC000170931212 565399373 /nfs/dbraw/zinc/39/93/73/565399373.db2.gz LTLSPUAPXCEVTQ-UHFFFAOYSA-N 0 0 391.196 3.161 10 30 GGEERN N#Cc1ccc(CNC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000170937943 565399806 /nfs/dbraw/zinc/39/98/06/565399806.db2.gz AVUUVMXBMFBYJJ-UHFFFAOYSA-N 0 0 380.206 3.050 10 30 GGEERN Cc1c(Br)cccc1NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000170939533 565399888 /nfs/dbraw/zinc/39/98/88/565399888.db2.gz GFVJCXFKCMVFAT-UHFFFAOYSA-N 0 0 390.212 3.023 10 30 GGEERN N#Cc1ccc(C(=O)NC2(c3ccc(Br)cc3)CCOCC2)nc1 ZINC000170963574 565400543 /nfs/dbraw/zinc/40/05/43/565400543.db2.gz MMJLIUCLQUUFQI-UHFFFAOYSA-N 0 0 386.249 3.151 10 30 GGEERN CN(C[C@@H](O)c1ccccc1Br)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000298207807 565404200 /nfs/dbraw/zinc/40/42/00/565404200.db2.gz UJRHDTDGTHOMCJ-HEHGZKQESA-N 0 0 380.286 3.206 10 30 GGEERN N#C[C@@H](NC(=O)[C@@H]1CC(=O)Nc2ccccc21)c1cccc(Br)c1 ZINC000171037120 565404324 /nfs/dbraw/zinc/40/43/24/565404324.db2.gz STJDUAYDKCFEDO-GDBMZVCRSA-N 0 0 384.233 3.256 10 30 GGEERN CC(C)(COc1ncccc1Br)NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000298220495 565404934 /nfs/dbraw/zinc/40/49/34/565404934.db2.gz VPXMGNJBAMQVEQ-STQMWFEESA-N 0 0 395.301 3.383 10 30 GGEERN CC(C)COC[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccco1 ZINC000171101295 565409860 /nfs/dbraw/zinc/40/98/60/565409860.db2.gz VZXQYIYVNCPTKA-MRXNPFEDSA-N 0 0 382.869 3.497 10 30 GGEERN CC(C)COC[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccco1 ZINC000171101290 565410342 /nfs/dbraw/zinc/41/03/42/565410342.db2.gz VZXQYIYVNCPTKA-INIZCTEOSA-N 0 0 382.869 3.497 10 30 GGEERN Cn1cc(C#N)cc1C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000375905305 565413094 /nfs/dbraw/zinc/41/30/94/565413094.db2.gz MJSFSSBIAFIDTF-INIZCTEOSA-N 0 0 387.281 3.376 10 30 GGEERN N#Cc1cccc(NC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)c1 ZINC000171247337 565421856 /nfs/dbraw/zinc/42/18/56/565421856.db2.gz BEMZDHFZBADHHE-UHFFFAOYSA-N 0 0 397.236 3.428 10 30 GGEERN CC1(C#N)CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000376272258 565429871 /nfs/dbraw/zinc/42/98/71/565429871.db2.gz YLADYHFCGZEBKC-UHFFFAOYSA-N 0 0 379.913 3.406 10 30 GGEERN Cc1cc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc(F)c1Br ZINC000298826452 565430646 /nfs/dbraw/zinc/43/06/46/565430646.db2.gz GNUOJCQEKBOSFX-UHFFFAOYSA-N 0 0 396.260 3.281 10 30 GGEERN N#CCCCCNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000171507800 565434794 /nfs/dbraw/zinc/43/47/94/565434794.db2.gz BTZHYPNJZRRSOM-UHFFFAOYSA-N 0 0 388.269 3.331 10 30 GGEERN Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1ccc(Br)cc1C#N ZINC000376524533 565439720 /nfs/dbraw/zinc/43/97/20/565439720.db2.gz GOBPVUYRRNAMDV-QGZVFWFLSA-N 0 0 389.297 3.245 10 30 GGEERN C=CCSc1ccccc1NC(=O)CN1CCO[C@H](c2nccs2)C1 ZINC000171666534 565443145 /nfs/dbraw/zinc/44/31/45/565443145.db2.gz VAKPTMGQPYYJOI-HNNXBMFYSA-N 0 0 375.519 3.433 10 30 GGEERN CCc1nn(C)c(CC)c1CC(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000276549348 565453043 /nfs/dbraw/zinc/45/30/43/565453043.db2.gz JOAASHGMAKYEIX-INIZCTEOSA-N 0 0 389.297 3.231 10 30 GGEERN COc1cc(Br)ccc1CNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000189246337 565453546 /nfs/dbraw/zinc/45/35/46/565453546.db2.gz YQLXKGDDTUJIEC-LBPRGKRZSA-N 0 0 389.249 3.413 10 30 GGEERN COc1cc(Br)ccc1CNC(=O)COc1ccccc1C#N ZINC000189248662 565453725 /nfs/dbraw/zinc/45/37/25/565453725.db2.gz MEGPGHRNTCEZFE-UHFFFAOYSA-N 0 0 375.222 3.025 10 30 GGEERN N#Cc1c(Cl)nsc1NCCCN1CCN(c2ccccc2F)CC1 ZINC000301185434 565470977 /nfs/dbraw/zinc/47/09/77/565470977.db2.gz DQMQCCOTEXAEFE-UHFFFAOYSA-N 0 0 379.892 3.431 10 30 GGEERN C=CC[C@H](CO)NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000189701936 565483105 /nfs/dbraw/zinc/48/31/05/565483105.db2.gz PNGCMCUYCXQCTM-GFCCVEGCSA-N 0 0 384.263 3.419 10 30 GGEERN N#Cc1ccc(CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)cc1 ZINC000172392369 565483511 /nfs/dbraw/zinc/48/35/11/565483511.db2.gz HMZBEDVGZCDQLV-UHFFFAOYSA-N 0 0 382.217 3.092 10 30 GGEERN N#Cc1cc(S(N)(=O)=O)ccc1NCCCc1cccc(Br)c1 ZINC000301403882 565483936 /nfs/dbraw/zinc/48/39/36/565483936.db2.gz SFIAUCLHXBHWRR-UHFFFAOYSA-N 0 0 394.294 3.013 10 30 GGEERN N#Cc1cc(S(N)(=O)=O)ccc1NCc1cc(Cl)ccc1OC(F)F ZINC000301417564 565484947 /nfs/dbraw/zinc/48/49/47/565484947.db2.gz GBVVZEZURAOQBP-UHFFFAOYSA-N 0 0 387.795 3.073 10 30 GGEERN CCc1csc([C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)cc3C)C2)n1 ZINC000172676054 565498634 /nfs/dbraw/zinc/49/86/34/565498634.db2.gz MFHDJFDRCOAKTM-OAHLLOKOSA-N 0 0 375.519 3.454 10 30 GGEERN CCc1csc([C@H]2CCCN(S(=O)(=O)c3ccc(C#N)cc3C)C2)n1 ZINC000172676056 565498983 /nfs/dbraw/zinc/49/89/83/565498983.db2.gz MFHDJFDRCOAKTM-HNNXBMFYSA-N 0 0 375.519 3.454 10 30 GGEERN COCCn1cc(NC(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)cn1 ZINC000190014334 565502148 /nfs/dbraw/zinc/50/21/48/565502148.db2.gz DODJJHYSSMIFJG-GFCCVEGCSA-N 0 0 375.841 3.038 10 30 GGEERN CN(Cc1ccc(C#N)c(F)c1)S(=O)(=O)c1ccc(Br)s1 ZINC000190058523 565505436 /nfs/dbraw/zinc/50/54/36/565505436.db2.gz CRAATTGQIVLUJM-UHFFFAOYSA-N 0 0 389.271 3.342 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCc3cc(Br)ccc3C2)ccc1F ZINC000190209563 565516508 /nfs/dbraw/zinc/51/65/08/565516508.db2.gz BRFMMJWNEXMRNB-UHFFFAOYSA-N 0 0 395.253 3.207 10 30 GGEERN N#Cc1ccc(NC[C@H](Cc2ccc(F)cc2)C(N)=O)c(Br)c1 ZINC000301977128 565522233 /nfs/dbraw/zinc/52/22/33/565522233.db2.gz FJNZKBFUHQWTRT-ZDUSSCGKSA-N 0 0 376.229 3.216 10 30 GGEERN COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190402696 565528617 /nfs/dbraw/zinc/52/86/17/565528617.db2.gz MRNLLUWMHUOQBN-AWEZNQCLSA-N 0 0 376.400 3.166 10 30 GGEERN C#CCN(CC#C)C(=O)C(=O)Nc1ccccc1SC[C@@H]1CC1(Cl)Cl ZINC000190413274 565529816 /nfs/dbraw/zinc/52/98/16/565529816.db2.gz CUJKSRVCNZFBEP-ZDUSSCGKSA-N 0 0 395.311 3.006 10 30 GGEERN N#Cc1cc(Br)ccc1N1CCN(Cc2nccn2C(F)F)CC1 ZINC000302151737 565534063 /nfs/dbraw/zinc/53/40/63/565534063.db2.gz HVRAVOYNEWAXTB-UHFFFAOYSA-N 0 0 396.239 3.235 10 30 GGEERN N#Cc1cc(Br)ccc1NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000302192517 565536191 /nfs/dbraw/zinc/53/61/91/565536191.db2.gz RKAYQBPZPYJJEN-CYBMUJFWSA-N 0 0 376.229 3.216 10 30 GGEERN Cc1ccc([O-])c[n+]1C(C(=O)c1nccs1)C(=S)NC1CCCCC1 ZINC000278289190 565549547 /nfs/dbraw/zinc/54/95/47/565549547.db2.gz QPWBPAHUXQPURZ-UHFFFAOYSA-O 0 0 376.527 3.306 10 30 GGEERN Cc1ccc(N2CCN(Cc3ccc(Br)c(F)c3)CC2)nc1C#N ZINC000302672343 565549936 /nfs/dbraw/zinc/54/99/36/565549936.db2.gz RYPSRVBRANVAJL-UHFFFAOYSA-N 0 0 389.272 3.486 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000278343199 565552126 /nfs/dbraw/zinc/55/21/26/565552126.db2.gz YJTNTUBZZKDQMT-RHSMWYFYSA-N 0 0 395.297 3.184 10 30 GGEERN C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(CC(=O)OC)cc1 ZINC000392740071 565565864 /nfs/dbraw/zinc/56/58/64/565565864.db2.gz XTWOVTPKCVYBJM-UHFFFAOYSA-N 0 0 399.921 3.494 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)Cc2cc(Cl)c3c(c2)OCCO3)cc1F ZINC000190888502 565567993 /nfs/dbraw/zinc/56/79/93/565567993.db2.gz PTVYLUPDPINZKN-UHFFFAOYSA-N 0 0 381.812 3.237 10 30 GGEERN N#Cc1cc(Br)cnc1NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000393955538 565569978 /nfs/dbraw/zinc/56/99/78/565569978.db2.gz CIIHOATXCIXMHH-QGZVFWFLSA-N 0 0 387.281 3.029 10 30 GGEERN CC(C)c1csc([C@H]2CCCN(S(=O)(=O)c3ccc(C#N)nc3)C2)n1 ZINC000173718612 565578151 /nfs/dbraw/zinc/57/81/51/565578151.db2.gz BQGKRCSJMULQHT-ZDUSSCGKSA-N 0 0 376.507 3.101 10 30 GGEERN CCO[C@@H](C)c1nc(CN(C)S(=O)(=O)c2ccc(C#N)cc2C)cs1 ZINC000173745371 565581765 /nfs/dbraw/zinc/58/17/65/565581765.db2.gz BZHYHPCBPFPVSF-ZDUSSCGKSA-N 0 0 379.507 3.241 10 30 GGEERN CCO[C@H](C)c1nc(CN(C)S(=O)(=O)c2cc(C#N)ccc2C)cs1 ZINC000173747640 565581824 /nfs/dbraw/zinc/58/18/24/565581824.db2.gz WDJMKDOZXQKKFY-CYBMUJFWSA-N 0 0 379.507 3.241 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(F)cc1I ZINC000278988141 565588788 /nfs/dbraw/zinc/58/87/88/565588788.db2.gz KSBYPBHFALUCNM-ZWNOBZJWSA-N 0 0 375.181 3.350 10 30 GGEERN N#Cc1ccc(Br)c(CN2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000408046500 565591852 /nfs/dbraw/zinc/59/18/52/565591852.db2.gz WXAAAMLKGBSOEG-JQHSSLGASA-N 0 0 379.298 3.073 10 30 GGEERN CC(C)N1C(=O)N[C@@H]2CN(c3c(Br)cc(Cl)cc3C#N)CC[C@@H]21 ZINC000408034300 565591984 /nfs/dbraw/zinc/59/19/84/565591984.db2.gz DRSHRMWJXHUSIB-KGLIPLIRSA-N 0 0 397.704 3.355 10 30 GGEERN C=CCCCNC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000279054558 565593794 /nfs/dbraw/zinc/59/37/94/565593794.db2.gz BJNNXHRWSOZIBF-UHFFFAOYSA-N 0 0 395.301 3.170 10 30 GGEERN N#Cc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000173898525 565596442 /nfs/dbraw/zinc/59/64/42/565596442.db2.gz QZJNEACKFSGMOR-UHFFFAOYSA-N 0 0 390.193 3.038 10 30 GGEERN C=CCCCNC(=O)c1cc(OC)c(OC)cc1I ZINC000279170936 565599276 /nfs/dbraw/zinc/59/92/76/565599276.db2.gz HESARWZMHLTIII-UHFFFAOYSA-N 0 0 375.206 3.004 10 30 GGEERN Cc1c(Cl)cc(S(=O)(=O)N(CCC#N)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000173976052 565603014 /nfs/dbraw/zinc/60/30/14/565603014.db2.gz OVAXXHYAEJIJCW-UHFFFAOYSA-N 0 0 385.751 3.023 10 30 GGEERN COc1ccc(Br)cc1S(=O)(=O)N1CCCC(C)(C)[C@H]1C#N ZINC000408403587 565607383 /nfs/dbraw/zinc/60/73/83/565607383.db2.gz UZWNWYFPXWPHRU-CQSZACIVSA-N 0 0 387.299 3.161 10 30 GGEERN C[C@H](C(=O)N[C@H](C#N)c1ccc(Br)cc1)N(C)CC(F)(F)F ZINC000279536561 565618106 /nfs/dbraw/zinc/61/81/06/565618106.db2.gz AEJJYKNOCATSBH-BXKDBHETSA-N 0 0 378.192 3.013 10 30 GGEERN COC1CCC(CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000409488210 565619256 /nfs/dbraw/zinc/61/92/56/565619256.db2.gz VHXLRQUOPIAGBK-UHFFFAOYSA-N 0 0 376.400 3.061 10 30 GGEERN C#CCn1ccc(CN(CC)C(=O)NCCc2ccccc2Br)n1 ZINC000279579773 565621439 /nfs/dbraw/zinc/62/14/39/565621439.db2.gz UKAWVNRLONRAMX-UHFFFAOYSA-N 0 0 389.297 3.053 10 30 GGEERN CCN(CCC#N)S(=O)(=O)N1CCc2cc(Cl)cc(Cl)c2[C@@H]1C ZINC000409514940 565621736 /nfs/dbraw/zinc/62/17/36/565621736.db2.gz RZUFKCRDALCJBH-NSHDSACASA-N 0 0 376.309 3.393 10 30 GGEERN Cc1ccc(N2CCCN(Cc3cc(C#N)ccc3Br)CC2)nn1 ZINC000191784246 565631626 /nfs/dbraw/zinc/63/16/26/565631626.db2.gz UDJIROIKXZVHGD-UHFFFAOYSA-N 0 0 386.297 3.132 10 30 GGEERN CCNC(=O)N1CCC([N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2Cl)CC1 ZINC000328602341 565636008 /nfs/dbraw/zinc/63/60/08/565636008.db2.gz BEESHECWPFDUTP-UHFFFAOYSA-N 0 0 388.295 3.278 10 30 GGEERN C=CCCCNC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl ZINC000279826866 565635914 /nfs/dbraw/zinc/63/59/14/565635914.db2.gz CMHARNGBKWCIAE-UHFFFAOYSA-N 0 0 377.293 3.130 10 30 GGEERN C=CCOc1c(Br)cc(CN2CC(=O)N(CC)C2)cc1OCC ZINC000191840232 565636877 /nfs/dbraw/zinc/63/68/77/565636877.db2.gz PRYKKUBLDLODOO-UHFFFAOYSA-N 0 0 383.286 3.034 10 30 GGEERN CCO[C@@H]1C[C@](NCc2cc(C#N)ccc2Br)(C(=O)OC)C1(C)C ZINC000191874680 565639246 /nfs/dbraw/zinc/63/92/46/565639246.db2.gz CVTAORKFRQQEMY-QAPCUYQASA-N 0 0 395.297 3.157 10 30 GGEERN CCn1cc([C@H]2CN(Cc3cc(C#N)ccc3Br)CCO2)cn1 ZINC000191896529 565640778 /nfs/dbraw/zinc/64/07/78/565640778.db2.gz PAIASJGJXLNIQB-QGZVFWFLSA-N 0 0 375.270 3.111 10 30 GGEERN CN1C(=O)C[C@H](NC(=O)N2CCCSCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328825397 565643455 /nfs/dbraw/zinc/64/34/55/565643455.db2.gz IZIQIUWYWKZGIN-HOCLYGCPSA-N 0 0 385.892 3.104 10 30 GGEERN COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000409875661 565645799 /nfs/dbraw/zinc/64/57/99/565645799.db2.gz NUIYWNRVBUKPAR-LLVKDONJSA-N 0 0 380.853 3.268 10 30 GGEERN Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2cccc(Br)c2)c1C#N ZINC000174625280 565648678 /nfs/dbraw/zinc/64/86/78/565648678.db2.gz FXRRQVVIGQBYJO-LBPRGKRZSA-N 0 0 386.249 3.445 10 30 GGEERN CC1(C#N)CCN(C(=O)CCOc2cccc(I)c2)CC1 ZINC000280061381 565649021 /nfs/dbraw/zinc/64/90/21/565649021.db2.gz BBPXENVKEINXQO-UHFFFAOYSA-N 0 0 398.244 3.212 10 30 GGEERN N#Cc1cc(Br)cc(S(=O)(=O)N2CCCC[C@@H]2C(F)F)c1 ZINC000409905143 565649057 /nfs/dbraw/zinc/64/90/57/565649057.db2.gz VIMOZZSOCHVLSL-GFCCVEGCSA-N 0 0 379.226 3.129 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(F)F)cc1Br ZINC000409933647 565649548 /nfs/dbraw/zinc/64/95/48/565649548.db2.gz PDBSGRHPFVDACF-LBPRGKRZSA-N 0 0 379.226 3.129 10 30 GGEERN C[C@H](NC(=O)N1CCO[C@]2(CCCOC2)C1)c1cccc(Br)c1 ZINC000329212726 565659390 /nfs/dbraw/zinc/65/93/90/565659390.db2.gz IFDBRXOODGUWEJ-SUMWQHHRSA-N 0 0 383.286 3.306 10 30 GGEERN C[C@H](NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)c1ccccc1Br ZINC000329249303 565661074 /nfs/dbraw/zinc/66/10/74/565661074.db2.gz XBASQNREKCQOKF-SDNTUTLCSA-N 0 0 397.313 3.286 10 30 GGEERN N#Cc1ccc(OCCNC(=O)c2cc(Br)c(F)cc2F)cc1 ZINC000192139134 565662549 /nfs/dbraw/zinc/66/25/49/565662549.db2.gz KNTDPAPRXNNNJM-UHFFFAOYSA-N 0 0 381.176 3.408 10 30 GGEERN C=CC[C@@H](CC)NC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000410127895 565665914 /nfs/dbraw/zinc/66/59/14/565665914.db2.gz OSFSVERAXUVICU-GXTWGEPZSA-N 0 0 388.327 3.330 10 30 GGEERN C=CCN1CC[C@@H](N(C)C(=O)c2cc(Br)cc3ccccc32)C1=O ZINC000410143495 565666742 /nfs/dbraw/zinc/66/67/42/565666742.db2.gz SGLQULSAWXCIMZ-QGZVFWFLSA-N 0 0 387.277 3.461 10 30 GGEERN CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000410153634 565666904 /nfs/dbraw/zinc/66/69/04/565666904.db2.gz YZCFIYZAOARPDG-QMTHXVAHSA-N 0 0 376.309 3.297 10 30 GGEERN CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000410153633 565667501 /nfs/dbraw/zinc/66/75/01/565667501.db2.gz YZCFIYZAOARPDG-IINYFYTJSA-N 0 0 376.309 3.297 10 30 GGEERN O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CC2(C1)CCCOC2 ZINC000329504684 565668733 /nfs/dbraw/zinc/66/87/33/565668733.db2.gz LDTPEYJKTSMPHZ-CYBMUJFWSA-N 0 0 385.233 3.048 10 30 GGEERN CN(C(=O)N[C@@H]1CCO[C@@H]1C1CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000329529615 565669479 /nfs/dbraw/zinc/66/94/79/565669479.db2.gz ILTMQXRYYRHLIN-YYIAUSFCSA-N 0 0 385.291 3.365 10 30 GGEERN C=CCN1CC[C@@H](N(C)C(=O)c2cc(F)c(Br)cc2Cl)C1=O ZINC000410180379 565669556 /nfs/dbraw/zinc/66/95/56/565669556.db2.gz XZPROPKBDMSMCW-CYBMUJFWSA-N 0 0 389.652 3.101 10 30 GGEERN C=CCN1CC[C@H](N2CCC[C@H]2c2ccc(I)cc2)C1=O ZINC000410388780 565681833 /nfs/dbraw/zinc/68/18/33/565681833.db2.gz RZYCPFMMQUFTJG-HOTGVXAUSA-N 0 0 396.272 3.215 10 30 GGEERN C=CCN1CC[C@@H](N2CCC[C@@H]2c2ccc(I)cc2)C1=O ZINC000410388781 565681854 /nfs/dbraw/zinc/68/18/54/565681854.db2.gz RZYCPFMMQUFTJG-HZPDHXFCSA-N 0 0 396.272 3.215 10 30 GGEERN [O-]C(=[NH+][C@@H]1C[C@H]1c1ccc(Br)c(F)c1)N1CCc2cncnc2C1 ZINC000329981070 565688593 /nfs/dbraw/zinc/68/85/93/565688593.db2.gz MPLWPRMMWQOCBW-SWLSCSKDSA-N 0 0 391.244 3.206 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000280765908 565694455 /nfs/dbraw/zinc/69/44/55/565694455.db2.gz YMFNKJCHEHEGGM-UKRRQHHQSA-N 0 0 392.253 3.097 10 30 GGEERN C[C@H](c1ccc([S@](C)=O)cc1)N(C)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000175425624 565699705 /nfs/dbraw/zinc/69/97/05/565699705.db2.gz PZKKIBNHLOQUHL-YYUOZPCZSA-N 0 0 396.921 3.331 10 30 GGEERN C[C@H]1OCC[C@H]1NC(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000330269946 565699734 /nfs/dbraw/zinc/69/97/34/565699734.db2.gz SQDRFJRQNZWCLI-DAXOMENPSA-N 0 0 382.302 3.417 10 30 GGEERN Cc1cc(=O)[nH]cc1C(=O)N[C@H]1CCO[C@@H]1c1cncc(Br)c1 ZINC000330281888 565700893 /nfs/dbraw/zinc/70/08/93/565700893.db2.gz AEGZYXVMFBSWOF-DZGCQCFKSA-N 0 0 378.226 3.088 10 30 GGEERN N#CCCCCS(=O)(=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175457964 565700915 /nfs/dbraw/zinc/70/09/15/565700915.db2.gz FZJVTJBFSUDPDH-HNNXBMFYSA-N 0 0 376.400 3.102 10 30 GGEERN N#Cc1cc(NC(=O)[C@H]2CCCN2CC(F)(F)F)ccc1Br ZINC000410973300 565702115 /nfs/dbraw/zinc/70/21/15/565702115.db2.gz VSWQTERUKYDFIA-GFCCVEGCSA-N 0 0 376.176 3.286 10 30 GGEERN O=C(NC[C@H]1COCCO1)Nc1ccc(C(F)(F)F)cc1Br ZINC000330416177 565705345 /nfs/dbraw/zinc/70/53/45/565705345.db2.gz DGSYTMPSESPBGS-VIFPVBQESA-N 0 0 383.164 3.209 10 30 GGEERN Cc1ccc(I)c(C(=O)N[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000330407678 565705458 /nfs/dbraw/zinc/70/54/58/565705458.db2.gz ZNNMLYQSEFJCFX-SNVBAGLBSA-N 0 0 388.249 3.207 10 30 GGEERN CCN(CC)C(=O)C1CCN(C(=O)Nc2ncc(C(F)(F)F)s2)CC1 ZINC000330424919 565706034 /nfs/dbraw/zinc/70/60/34/565706034.db2.gz FWMHZMQDLZSDDS-UHFFFAOYSA-N 0 0 378.420 3.288 10 30 GGEERN CC(C)C[C@@H](NC(=O)N1CCC(N(C)S(C)(=O)=O)CC1)c1cccs1 ZINC000330450215 565706080 /nfs/dbraw/zinc/70/60/80/565706080.db2.gz TVKTXZKYCSSLDE-OAHLLOKOSA-N 0 0 387.571 3.105 10 30 GGEERN C[C@H](C(=O)N1CCCc2c(Cl)ccc(Br)c21)n1cnc(C#N)n1 ZINC000411107066 565711886 /nfs/dbraw/zinc/71/18/86/565711886.db2.gz DRFIUCHSRBMGKQ-SECBINFHSA-N 0 0 394.660 3.106 10 30 GGEERN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NC[C@@H]1CCCCO1 ZINC000330592886 565713471 /nfs/dbraw/zinc/71/34/71/565713471.db2.gz YUMWGYTUGWZDCK-NSHDSACASA-N 0 0 390.299 3.035 10 30 GGEERN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@@H]1CCO[C@@H](C)C1 ZINC000330604289 565714210 /nfs/dbraw/zinc/71/42/10/565714210.db2.gz LIDOXKIDUGBIRI-GXSJLCMTSA-N 0 0 390.299 3.033 10 30 GGEERN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@]1(C)CCCOC1 ZINC000330636794 565715339 /nfs/dbraw/zinc/71/53/39/565715339.db2.gz VIIDAYSNSKSYPZ-OAHLLOKOSA-N 0 0 390.299 3.035 10 30 GGEERN CC(C)NC(=O)N1CCC[C@H]1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000330635713 565715617 /nfs/dbraw/zinc/71/56/17/565715617.db2.gz USIPCKMXTVVAPN-ZDUSSCGKSA-N 0 0 399.245 3.083 10 30 GGEERN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NC(C)(C)C(C)(C)O ZINC000330697032 565718765 /nfs/dbraw/zinc/71/87/65/565718765.db2.gz CUHFHPPYYXJRAH-UHFFFAOYSA-N 0 0 392.315 3.015 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@H](C)C(C)C ZINC000411252915 565720659 /nfs/dbraw/zinc/72/06/59/565720659.db2.gz KQQMODWMKFJLIW-LBPRGKRZSA-N 0 0 383.286 3.361 10 30 GGEERN CCN1CN(C(=O)Nc2cc(C(F)(F)F)ccc2Br)CC1=O ZINC000330756252 565721368 /nfs/dbraw/zinc/72/13/68/565721368.db2.gz ZCMSQARPQHUKRB-UHFFFAOYSA-N 0 0 380.164 3.135 10 30 GGEERN CS(=O)(=O)N1CCC[C@@H](NC(=O)Nc2cccc(C(F)F)c2Cl)C1 ZINC000330858291 565726025 /nfs/dbraw/zinc/72/60/25/565726025.db2.gz QQLIXFXVYRRSSG-SECBINFHSA-N 0 0 381.832 3.028 10 30 GGEERN CC(C)CC[C@@](C)(O)CNC(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21 ZINC000330912453 565728372 /nfs/dbraw/zinc/72/83/72/565728372.db2.gz ZPWUVGIWHOIHCP-RVSPLBMKSA-N 0 0 388.555 3.046 10 30 GGEERN C=CC[C@H](CC)NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000281405772 565728661 /nfs/dbraw/zinc/72/86/61/565728661.db2.gz JIQUBAOXVARCCF-NSHDSACASA-N 0 0 384.230 3.075 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCCC12CCC2 ZINC000411472012 565731662 /nfs/dbraw/zinc/73/16/62/565731662.db2.gz MBQVRLZSBFKXPY-UHFFFAOYSA-N 0 0 393.281 3.498 10 30 GGEERN N#Cc1cc(C(=O)Nc2ccnn2Cc2ccccc2Br)ccn1 ZINC000193092512 565732789 /nfs/dbraw/zinc/73/27/89/565732789.db2.gz DCNWVXPBEYVZHR-UHFFFAOYSA-N 0 0 382.221 3.213 10 30 GGEERN COC(=O)c1cc(NC(=O)N2CC[C@H](C)[C@H](OC)C2)ccc1Br ZINC000330979421 565733694 /nfs/dbraw/zinc/73/36/94/565733694.db2.gz MFUHSWUVCUKIGW-IINYFYTJSA-N 0 0 385.258 3.138 10 30 GGEERN CC(C)(C)[C@H]1CCN(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C[C@@H]1O ZINC000331004115 565734824 /nfs/dbraw/zinc/73/48/24/565734824.db2.gz YJEMYUYYLYKXTH-JSGCOSHPSA-N 0 0 388.917 3.018 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1N1CCC(NC(=O)C2CC2)CC1 ZINC000281538878 565735562 /nfs/dbraw/zinc/73/55/62/565735562.db2.gz AYUYAIPMJMIIMC-UHFFFAOYSA-N 0 0 399.292 3.364 10 30 GGEERN C[C@@H]1CCN(c2c(C#N)cnc3c(Br)cccc32)CC[S@]1=O ZINC000281533083 565735600 /nfs/dbraw/zinc/73/56/00/565735600.db2.gz ALUJDJZMJKJJCP-RKFFSXRUSA-N 0 0 378.295 3.216 10 30 GGEERN C[C@@H]1CCN(c2c(C#N)cnc3c(Br)cccc32)CC[S@@]1=O ZINC000281533073 565735748 /nfs/dbraw/zinc/73/57/48/565735748.db2.gz ALUJDJZMJKJJCP-XFNZEKPQSA-N 0 0 378.295 3.216 10 30 GGEERN C[C@H]1CCN(c2c(C#N)cnc3c(Br)cccc32)CC[S@@]1=O ZINC000281533068 565735946 /nfs/dbraw/zinc/73/59/46/565735946.db2.gz ALUJDJZMJKJJCP-SAHAZLINSA-N 0 0 378.295 3.216 10 30 GGEERN CC(C)CNC(=O)N1CCC[C@H](C(=O)Nc2ncc(C(F)(F)F)s2)C1 ZINC000331058500 565736284 /nfs/dbraw/zinc/73/62/84/565736284.db2.gz MMBZFIVOEINNNB-JTQLQIEISA-N 0 0 378.420 3.382 10 30 GGEERN CC1(C)CN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC[C@@H]1C(F)(F)F ZINC000331091842 565737503 /nfs/dbraw/zinc/73/75/03/565737503.db2.gz IPSRKHMDUPRSLS-AWEZNQCLSA-N 0 0 378.391 3.438 10 30 GGEERN COCCOC[C@H]1CCN(c2c(C#N)cnc3c(Br)cccc32)C1 ZINC000281604334 565739191 /nfs/dbraw/zinc/73/91/91/565739191.db2.gz IKGVXSZUIVYYKO-ZDUSSCGKSA-N 0 0 390.281 3.358 10 30 GGEERN CCOC(=O)C1(O)CCN(C(=O)Nc2cc(Br)c(C)cc2C)CC1 ZINC000331116513 565739957 /nfs/dbraw/zinc/73/99/57/565739957.db2.gz KKKHVETWLPDVDT-UHFFFAOYSA-N 0 0 399.285 3.001 10 30 GGEERN COCCO[C@@H]1CCN(c2c(C#N)cnc3c(Br)cccc32)C1 ZINC000281662309 565741157 /nfs/dbraw/zinc/74/11/57/565741157.db2.gz OUKGOISGTDJJLZ-CYBMUJFWSA-N 0 0 376.254 3.111 10 30 GGEERN N#Cc1ccc(OCCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000176011784 565741412 /nfs/dbraw/zinc/74/14/12/565741412.db2.gz XRSGXWWSTXVYEF-UHFFFAOYSA-N 0 0 390.193 3.038 10 30 GGEERN Cn1cc(C#N)cc1C(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1 ZINC000176039788 565743403 /nfs/dbraw/zinc/74/34/03/565743403.db2.gz USKUVQLJKVHBII-UHFFFAOYSA-N 0 0 376.239 3.363 10 30 GGEERN C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)Nc2nnc(CC(F)(F)F)s2)C1 ZINC000331161883 565743535 /nfs/dbraw/zinc/74/35/35/565743535.db2.gz KZJUVFHSHODADY-YMTOWFKASA-N 0 0 380.436 3.355 10 30 GGEERN Cn1cnnc1[C@H]1CCCN(c2c(C#N)cnc3c(Br)cccc32)C1 ZINC000281706647 565743587 /nfs/dbraw/zinc/74/35/87/565743587.db2.gz UEDJNNCNSSRKRP-LBPRGKRZSA-N 0 0 397.280 3.381 10 30 GGEERN Cn1cnnc1[C@@H]1CCCN(c2c(C#N)cnc3c(Br)cccc32)C1 ZINC000281706639 565743724 /nfs/dbraw/zinc/74/37/24/565743724.db2.gz UEDJNNCNSSRKRP-GFCCVEGCSA-N 0 0 397.280 3.381 10 30 GGEERN CCOc1c(Br)cc(Cl)cc1NC(=O)N1CC(=O)N(CC)C1 ZINC000331185089 565744857 /nfs/dbraw/zinc/74/48/57/565744857.db2.gz UBZVHIXWNBYOOJ-UHFFFAOYSA-N 0 0 390.665 3.168 10 30 GGEERN Cc1c(Br)ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)c1F ZINC000281756442 565745417 /nfs/dbraw/zinc/74/54/17/565745417.db2.gz AIXAMGNZSUQFNL-UHFFFAOYSA-N 0 0 396.260 3.281 10 30 GGEERN CC(=O)NC[C@H]1CCCN(c2c(C#N)cnc3c(Br)cccc32)C1 ZINC000281750704 565745763 /nfs/dbraw/zinc/74/57/63/565745763.db2.gz XUVGIFOISLVIIJ-CYBMUJFWSA-N 0 0 387.281 3.221 10 30 GGEERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Nc1ccc(OC)cc1Br ZINC000331196491 565746182 /nfs/dbraw/zinc/74/61/82/565746182.db2.gz UONHQCIUIFNBRA-HNNXBMFYSA-N 0 0 398.301 3.336 10 30 GGEERN C[C@H](c1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000331220047 565748154 /nfs/dbraw/zinc/74/81/54/565748154.db2.gz BGACKESBXVVOGF-CYBMUJFWSA-N 0 0 395.937 3.341 10 30 GGEERN CCC(=O)N1CC[C@H](NC(=O)N(C)Cc2ccc(Br)cc2C)C1 ZINC000331224984 565748449 /nfs/dbraw/zinc/74/84/49/565748449.db2.gz XFDMHFGOHIVTFC-HNNXBMFYSA-N 0 0 382.302 3.114 10 30 GGEERN N#Cc1c[nH]c(C(=O)N2CCC[C@H]2c2ccc(I)cc2)c1 ZINC000176105419 565749011 /nfs/dbraw/zinc/74/90/11/565749011.db2.gz LLJMPUIDTOIMMR-HNNXBMFYSA-N 0 0 391.212 3.468 10 30 GGEERN N#Cc1cc(C(=O)N2CCOc3cc(Br)c(Cl)cc32)ccn1 ZINC000193439741 565751876 /nfs/dbraw/zinc/75/18/76/565751876.db2.gz ZYNJFXFVZILUKW-UHFFFAOYSA-N 0 0 378.613 3.408 10 30 GGEERN Cc1ccc(F)c(NC(=O)C(=O)NCC2CCC(C#N)CC2)c1Br ZINC000281850652 565751834 /nfs/dbraw/zinc/75/18/34/565751834.db2.gz GEGFHQWRKGYSBV-UHFFFAOYSA-N 0 0 396.260 3.281 10 30 GGEERN Cc1cc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc(C)c1Br ZINC000281920789 565755974 /nfs/dbraw/zinc/75/59/74/565755974.db2.gz JNOMWQKFHDKHNV-UHFFFAOYSA-N 0 0 392.297 3.451 10 30 GGEERN COc1c(Cl)cc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1Cl ZINC000281929092 565756153 /nfs/dbraw/zinc/75/61/53/565756153.db2.gz JXUKPEDWFDNXLA-UHFFFAOYSA-N 0 0 384.263 3.387 10 30 GGEERN N#CCCSc1ccccc1NC(=O)C(=O)N1CCC=C(Br)C1 ZINC000281989901 565759503 /nfs/dbraw/zinc/75/95/03/565759503.db2.gz MUKOONNGBNPHQG-UHFFFAOYSA-N 0 0 394.294 3.142 10 30 GGEERN N#CC1CCC(CNC(=O)N[C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000282228784 565770201 /nfs/dbraw/zinc/77/02/01/565770201.db2.gz NHZCVCNSWMEYNO-ZUEPYMLJSA-N 0 0 380.286 3.112 10 30 GGEERN O=C(CSCCOCC(F)(F)C(F)F)N1CCC[C@@H](C(F)(F)F)C1 ZINC000193732388 565772622 /nfs/dbraw/zinc/77/26/22/565772622.db2.gz LCXSZFMYJHWGBK-SECBINFHSA-N 0 0 385.345 3.438 10 30 GGEERN C=CCn1c([C@@H]2COCCO2)nnc1N(C)Cc1cc(Br)cs1 ZINC000282280139 565772965 /nfs/dbraw/zinc/77/29/65/565772965.db2.gz MWHSVBGGAXTSOQ-ZDUSSCGKSA-N 0 0 399.314 3.012 10 30 GGEERN CCOCCOc1ccc(Br)cc1NC(=O)c1ccnc(C#N)c1 ZINC000193778522 565774311 /nfs/dbraw/zinc/77/43/11/565774311.db2.gz ZAFKWUGMLRZEIW-UHFFFAOYSA-N 0 0 390.237 3.383 10 30 GGEERN N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H](CO)c2cccc(Br)c2)c1 ZINC000412251293 565776519 /nfs/dbraw/zinc/77/65/19/565776519.db2.gz WHYVBITWFDZSAG-RCCFBDPRSA-N 0 0 385.261 3.274 10 30 GGEERN N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](CO)c2cccc(Br)c2)c1 ZINC000412251292 565777243 /nfs/dbraw/zinc/77/72/43/565777243.db2.gz WHYVBITWFDZSAG-KSZLIROESA-N 0 0 385.261 3.274 10 30 GGEERN N#CCCN(CC1CC1)S(=O)(=O)c1c(Cl)cccc1Br ZINC000282409440 565777928 /nfs/dbraw/zinc/77/79/28/565777928.db2.gz AURPYUMYUUECRX-UHFFFAOYSA-N 0 0 377.691 3.417 10 30 GGEERN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1C(=O)N(C)C ZINC000176525439 565780814 /nfs/dbraw/zinc/78/08/14/565780814.db2.gz WIXGVIAFNFDBAA-UHFFFAOYSA-N 0 0 377.853 3.023 10 30 GGEERN COc1ccc(Br)c(-c2nnc(N3CCC(C)(C#N)CC3)n2C)c1 ZINC000282503861 565782864 /nfs/dbraw/zinc/78/28/64/565782864.db2.gz PFTRRGSFTDCWAK-UHFFFAOYSA-N 0 0 390.285 3.383 10 30 GGEERN N#CC1CCC(CNS(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000282645931 565790610 /nfs/dbraw/zinc/79/06/10/565790610.db2.gz UKTCPWJRDLGSOL-UHFFFAOYSA-N 0 0 375.263 3.196 10 30 GGEERN C=CCn1c([C@@H]2COCCO2)nnc1N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000282649528 565790988 /nfs/dbraw/zinc/79/09/88/565790988.db2.gz QJUCTDWLUMMNTK-HNNXBMFYSA-N 0 0 383.279 3.495 10 30 GGEERN COc1ccc(C(=O)NCC2CCC(C#N)CC2)cc1I ZINC000282731263 565793940 /nfs/dbraw/zinc/79/39/40/565793940.db2.gz OIOFPWNOFAESEE-UHFFFAOYSA-N 0 0 398.244 3.360 10 30 GGEERN N#CC1CCC(CNC(=O)c2ccc(F)cc2I)CC1 ZINC000282755285 565795269 /nfs/dbraw/zinc/79/52/69/565795269.db2.gz PUCORTFXVXYVES-UHFFFAOYSA-N 0 0 386.208 3.490 10 30 GGEERN CC1(C#N)CCN(C(=O)C2(c3ccc(I)cc3)CC2)CC1 ZINC000282795809 565796953 /nfs/dbraw/zinc/79/69/53/565796953.db2.gz RNVGRNPRLWPWAD-UHFFFAOYSA-N 0 0 394.256 3.475 10 30 GGEERN N#CCCn1ccc(NC(=O)N[C@@H]2CCOc3c(Br)cccc32)n1 ZINC000282814850 565798396 /nfs/dbraw/zinc/79/83/96/565798396.db2.gz SWSXOOWJQHPBLR-CYBMUJFWSA-N 0 0 390.241 3.205 10 30 GGEERN N#CC1CCC(CNC(=O)c2cc(F)ccc2I)CC1 ZINC000282851419 565799336 /nfs/dbraw/zinc/79/93/36/565799336.db2.gz WYIKZCVSKDGYLH-UHFFFAOYSA-N 0 0 386.208 3.490 10 30 GGEERN CSc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1Cl ZINC000176840341 565807350 /nfs/dbraw/zinc/80/73/50/565807350.db2.gz LSNIAPYWVJCTDU-UHFFFAOYSA-N 0 0 377.828 3.328 10 30 GGEERN CNC(=O)CC1S/C(=N\[C@H](C)c2cccs2)N([C@H]2CSC2(C)C)C1=O ZINC000283036080 565807729 /nfs/dbraw/zinc/80/77/29/565807729.db2.gz PZZRIZQZUVOIMA-RGDKSRIKSA-N 0 0 397.591 3.139 10 30 GGEERN CNC(=O)CC1S/C(=N\[C@H](C)c2cccs2)N([C@@H]2CSC2(C)C)C1=O ZINC000283036086 565807917 /nfs/dbraw/zinc/80/79/17/565807917.db2.gz PZZRIZQZUVOIMA-ZUMIFCKISA-N 0 0 397.591 3.139 10 30 GGEERN C=CCN1CCC(NS(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000283111879 565809373 /nfs/dbraw/zinc/80/93/73/565809373.db2.gz YHPQMXUIHWSSEO-UHFFFAOYSA-N 0 0 393.734 3.031 10 30 GGEERN COCCN(Cc1sccc1Br)C(=O)c1ccnc(C#N)c1 ZINC000194348787 565810537 /nfs/dbraw/zinc/81/05/37/565810537.db2.gz SGVICYNTIHCKIV-UHFFFAOYSA-N 0 0 380.267 3.066 10 30 GGEERN CCOC(=O)[C@@H]1C/C(=C\c2c(Br)cnn2C)C(=O)c2ccccc21 ZINC000283149960 565810902 /nfs/dbraw/zinc/81/09/02/565810902.db2.gz YWMMOQVDUPPTPS-CFRMROPGSA-N 0 0 389.249 3.499 10 30 GGEERN C=CCn1c(SCC2(C(=O)OC)CC2)nc2sc3c(c2c1=O)CCC3 ZINC000412982293 565826885 /nfs/dbraw/zinc/82/68/85/565826885.db2.gz XYZSVYDXELRCCR-UHFFFAOYSA-N 0 0 376.503 3.178 10 30 GGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000283934615 565836217 /nfs/dbraw/zinc/83/62/17/565836217.db2.gz DYJVEUXPVPLBLE-WQGACYEGSA-N 0 0 385.291 3.268 10 30 GGEERN N#Cc1ccc(CNC(=O)c2c(F)cccc2I)c(F)c1 ZINC000177469878 565853830 /nfs/dbraw/zinc/85/38/30/565853830.db2.gz RAHHYTHTLIUNGE-UHFFFAOYSA-N 0 0 398.150 3.371 10 30 GGEERN COC(=O)[C@@H]1CSCCN(c2c(C#N)cnc3c(Cl)cc(C)cc32)C1 ZINC000413610920 565862647 /nfs/dbraw/zinc/86/26/47/565862647.db2.gz RYJKLRHOXOWTAZ-ZDUSSCGKSA-N 0 0 375.881 3.411 10 30 GGEERN Cc1csc([C@H](C)NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)n1 ZINC000177656127 565865025 /nfs/dbraw/zinc/86/50/25/565865025.db2.gz FCMJEFOGFDYIOW-VIFPVBQESA-N 0 0 375.397 3.382 10 30 GGEERN Cc1csc([C@@H](C)NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)n1 ZINC000177656115 565865199 /nfs/dbraw/zinc/86/51/99/565865199.db2.gz FCMJEFOGFDYIOW-SECBINFHSA-N 0 0 375.397 3.382 10 30 GGEERN N#Cc1ccc(C(=O)Nc2cc(Br)c(F)cc2N2CCOCC2)o1 ZINC000414002713 565885956 /nfs/dbraw/zinc/88/59/56/565885956.db2.gz BUCCLXVSFMUGAP-UHFFFAOYSA-N 0 0 394.200 3.142 10 30 GGEERN CN(CCC#N)C[C@@H](O)COc1c(Cl)ccc(Cl)c1Br ZINC000414120541 565896428 /nfs/dbraw/zinc/89/64/28/565896428.db2.gz CQOCEPPRMZQTRV-SECBINFHSA-N 0 0 382.085 3.341 10 30 GGEERN C=CCc1c(C(=O)OC)ccc(Br)c1OCC(=O)NC1CCCC1 ZINC000225654476 565916242 /nfs/dbraw/zinc/91/62/42/565916242.db2.gz VLZGJMXDRXOLGN-UHFFFAOYSA-N 0 0 396.281 3.402 10 30 GGEERN CC1(C#N)CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000227311605 565923834 /nfs/dbraw/zinc/92/38/34/565923834.db2.gz VFYZJAKTGWLJMW-UHFFFAOYSA-N 0 0 377.691 3.417 10 30 GGEERN CC(C)(C#N)CCCCn1ncc(Br)c(Br)c1=O ZINC000232528601 565932103 /nfs/dbraw/zinc/93/21/03/565932103.db2.gz PMLIOPMKNCFRSO-UHFFFAOYSA-N 0 0 377.080 3.488 10 30 GGEERN COc1ccc(C#N)cc1CN1CCN(c2ccc(Br)cn2)CC1 ZINC000178679105 565932963 /nfs/dbraw/zinc/93/29/63/565932963.db2.gz LQKYIKHLXPEIPR-UHFFFAOYSA-N 0 0 387.281 3.047 10 30 GGEERN C=CCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](CO)[C@H]1C ZINC000414508155 565943851 /nfs/dbraw/zinc/94/38/51/565943851.db2.gz AUMJOOAMBTXZBH-ZIAGYGMSSA-N 0 0 391.313 3.491 10 30 GGEERN N#Cc1ccc(CNS(=O)(=O)c2cc(F)ccc2Br)c(F)c1 ZINC000178878849 565943826 /nfs/dbraw/zinc/94/38/26/565943826.db2.gz DBJLYFJDEBBUGM-UHFFFAOYSA-N 0 0 387.205 3.077 10 30 GGEERN C=CCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](CF)C1 ZINC000414512731 565944048 /nfs/dbraw/zinc/94/40/48/565944048.db2.gz IWYLZOZNRAWZQD-LBPRGKRZSA-N 0 0 381.249 3.068 10 30 GGEERN C=CCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](CF)C1 ZINC000414512729 565944208 /nfs/dbraw/zinc/94/42/08/565944208.db2.gz IWYLZOZNRAWZQD-GFCCVEGCSA-N 0 0 381.249 3.068 10 30 GGEERN C=CCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](CO)[C@H]1C ZINC000414508149 565944417 /nfs/dbraw/zinc/94/44/17/565944417.db2.gz AUMJOOAMBTXZBH-KGLIPLIRSA-N 0 0 391.313 3.491 10 30 GGEERN N#Cc1ccc(CNC(=O)Cc2ccccc2I)c(F)c1 ZINC000178917700 565945975 /nfs/dbraw/zinc/94/59/75/565945975.db2.gz DHSISGDYPROOEJ-UHFFFAOYSA-N 0 0 394.187 3.161 10 30 GGEERN COc1ccc(CN2CCN(c3ccc(Br)cn3)CC2)cc1C#N ZINC000179190100 565964643 /nfs/dbraw/zinc/96/46/43/565964643.db2.gz VCRBDEZZLFLJTQ-UHFFFAOYSA-N 0 0 387.281 3.047 10 30 GGEERN Cc1ccccc1N=C1SCCN1C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000245263951 565987542 /nfs/dbraw/zinc/98/75/42/565987542.db2.gz BSTZCPZBKYLTHV-KSSFIOAISA-N 0 0 375.519 3.012 10 30 GGEERN Cc1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c2cc(Br)ccc2n1 ZINC000363080241 565989775 /nfs/dbraw/zinc/98/97/75/565989775.db2.gz XTTULSDAFAIZPV-OAHLLOKOSA-N 0 0 399.292 3.118 10 30 GGEERN N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@H](CC(F)(F)F)C1 ZINC000287154280 566001131 /nfs/dbraw/zinc/00/11/31/566001131.db2.gz BTWGYBCJSKDBLR-SECBINFHSA-N 0 0 397.216 3.284 10 30 GGEERN N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@@H](CC(F)(F)F)C1 ZINC000287154291 566001206 /nfs/dbraw/zinc/00/12/06/566001206.db2.gz BTWGYBCJSKDBLR-VIFPVBQESA-N 0 0 397.216 3.284 10 30 GGEERN CN1CCO[C@H]([C@@H](NC(=O)c2sccc2C#N)c2ccc(Cl)cc2)C1 ZINC000245748476 566004355 /nfs/dbraw/zinc/00/43/55/566004355.db2.gz NLHMEFDOJBROED-HOTGVXAUSA-N 0 0 375.881 3.075 10 30 GGEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1 ZINC000179751845 566005227 /nfs/dbraw/zinc/00/52/27/566005227.db2.gz VWVLGJWXNSAWHV-UHFFFAOYSA-N 0 0 389.279 3.382 10 30 GGEERN Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000245778712 566006606 /nfs/dbraw/zinc/00/66/06/566006606.db2.gz BMOUJQXUYPSZAQ-JKSUJKDBSA-N 0 0 376.503 3.205 10 30 GGEERN COCCCCN(C(=O)c1ccc(C#N)o1)c1ccc(Br)cn1 ZINC000415598016 566007636 /nfs/dbraw/zinc/00/76/36/566007636.db2.gz OOLCYYKUKSLPGS-UHFFFAOYSA-N 0 0 378.226 3.382 10 30 GGEERN Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000246090514 566016505 /nfs/dbraw/zinc/01/65/05/566016505.db2.gz JSGLWJFUEYPRJR-JKSUJKDBSA-N 0 0 376.503 3.205 10 30 GGEERN Cc1ccc(C2CCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC2)cn1 ZINC000363706421 566016822 /nfs/dbraw/zinc/01/68/22/566016822.db2.gz ZYTMHMRZZMIVLX-UHFFFAOYSA-N 0 0 375.881 3.483 10 30 GGEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000287424066 566017793 /nfs/dbraw/zinc/01/77/93/566017793.db2.gz BCGHXPWYEVSQGL-UHFFFAOYSA-N 0 0 394.191 3.226 10 30 GGEERN N#Cc1cccc(CS(=O)(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000246192213 566020396 /nfs/dbraw/zinc/02/03/96/566020396.db2.gz NQBKETLFISJZRQ-IAGOWNOFSA-N 0 0 376.503 3.038 10 30 GGEERN Cc1cccc(S(=O)(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)c1C#N ZINC000246220141 566021815 /nfs/dbraw/zinc/02/18/15/566021815.db2.gz UTMQYZQDEGEJOI-GOEBONIOSA-N 0 0 376.503 3.205 10 30 GGEERN CC[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000287554784 566025365 /nfs/dbraw/zinc/02/53/65/566025365.db2.gz FVFAKDXAIFCZRH-WKSPDDFDSA-N 0 0 384.263 3.266 10 30 GGEERN CC[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000287554780 566025668 /nfs/dbraw/zinc/02/56/68/566025668.db2.gz FVFAKDXAIFCZRH-PERWBAPNSA-N 0 0 384.263 3.266 10 30 GGEERN C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@@H](c2ccccc2)O1 ZINC000246380745 566027352 /nfs/dbraw/zinc/02/73/52/566027352.db2.gz MSIIBLDFNUWSAZ-GUYCJALGSA-N 0 0 376.865 3.362 10 30 GGEERN CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000287739203 566037381 /nfs/dbraw/zinc/03/73/81/566037381.db2.gz UFVPXCJOPWRUQD-VBNZEHGJSA-N 0 0 381.523 3.168 10 30 GGEERN C[C@H](CCO)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000180183623 566041612 /nfs/dbraw/zinc/04/16/12/566041612.db2.gz HSFPFHAGOMGBTM-CQSZACIVSA-N 0 0 378.881 3.173 10 30 GGEERN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc(C#N)ccn2)CC1 ZINC000287836184 566042910 /nfs/dbraw/zinc/04/29/10/566042910.db2.gz BSVZYGLXFGTXEZ-AWEZNQCLSA-N 0 0 399.292 3.235 10 30 GGEERN C[C@@H](Oc1cccc(CO)c1)C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000180206927 566043716 /nfs/dbraw/zinc/04/37/16/566043716.db2.gz VIBHTRKZSMWKSS-PXAZEXFGSA-N 0 0 389.249 3.090 10 30 GGEERN C[C@H](Oc1cccc(CO)c1)C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000180206914 566043745 /nfs/dbraw/zinc/04/37/45/566043745.db2.gz VIBHTRKZSMWKSS-SJCJKPOMSA-N 0 0 389.249 3.090 10 30 GGEERN C[C@H](Oc1cccc(CO)c1)C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000180206944 566044270 /nfs/dbraw/zinc/04/42/70/566044270.db2.gz VIBHTRKZSMWKSS-YVEFUNNKSA-N 0 0 389.249 3.090 10 30 GGEERN N#Cc1ccc(NC(=O)C(=O)NC2CCC3(CC3)CC2)cc1Br ZINC000287873183 566045451 /nfs/dbraw/zinc/04/54/51/566045451.db2.gz ATUGCZQKIAAFJO-UHFFFAOYSA-N 0 0 376.254 3.098 10 30 GGEERN N#Cc1ccc(C(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)cn1 ZINC000364387108 566049442 /nfs/dbraw/zinc/04/94/42/566049442.db2.gz GTBKGBZJEWQXFN-INIZCTEOSA-N 0 0 390.212 3.069 10 30 GGEERN C=CCCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000180329481 566055196 /nfs/dbraw/zinc/05/51/96/566055196.db2.gz IRGMXAMVHGFRMG-QGZVFWFLSA-N 0 0 384.929 3.172 10 30 GGEERN N#Cc1cccnc1N1CCN(C(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000247663490 566064414 /nfs/dbraw/zinc/06/44/14/566064414.db2.gz UUDSHLACMKWOIK-UHFFFAOYSA-N 0 0 375.259 3.151 10 30 GGEERN C#C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c2cccnc12)C(C)(C)C ZINC000288259537 566065224 /nfs/dbraw/zinc/06/52/24/566065224.db2.gz CFLCPBCVRMKTLZ-CQSZACIVSA-N 0 0 388.265 3.100 10 30 GGEERN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCc1ccc(Cl)cn1 ZINC000180597574 566076159 /nfs/dbraw/zinc/07/61/59/566076159.db2.gz SSTKNLCDZAPWRR-UHFFFAOYSA-N 0 0 375.759 3.104 10 30 GGEERN C=CC[C@H](CC)NC(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000288510729 566077601 /nfs/dbraw/zinc/07/76/01/566077601.db2.gz UDDPRAHNTKTDQE-VIFPVBQESA-N 0 0 394.191 3.272 10 30 GGEERN C=CCn1c(SC[C@H](O)COC)nc2scc(-c3cccs3)c2c1=O ZINC000180628261 566078366 /nfs/dbraw/zinc/07/83/66/566078366.db2.gz GPAKRURNZSVFAT-LLVKDONJSA-N 0 0 394.543 3.472 10 30 GGEERN CC(C)(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000180777903 566088566 /nfs/dbraw/zinc/08/85/66/566088566.db2.gz CREHHFJRDQVIJN-UHFFFAOYSA-N 0 0 378.881 3.173 10 30 GGEERN N#C[C@H]1CN(C(=O)c2ccc(Br)c(Cl)c2F)CCN1C1CC1 ZINC000365521965 566106132 /nfs/dbraw/zinc/10/61/32/566106132.db2.gz JQCVVVQIGVTOQB-JTQLQIEISA-N 0 0 386.652 3.054 10 30 GGEERN N#CC1(c2ccc(C(=O)N[C@@H](CO)c3cccc(Br)c3)cc2)CC1 ZINC000181067730 566110970 /nfs/dbraw/zinc/11/09/70/566110970.db2.gz OBLDQIKXBVZNOJ-KRWDZBQOSA-N 0 0 385.261 3.468 10 30 GGEERN Cc1ncc(CN2CCN(Cc3ccc(C#N)cc3Br)CC2)s1 ZINC000181091856 566113070 /nfs/dbraw/zinc/11/30/70/566113070.db2.gz JSCPGISQEIFEHO-UHFFFAOYSA-N 0 0 391.338 3.404 10 30 GGEERN CN(Cc1ccc(C#N)cc1Br)[C@@H]1CCCN(c2cccnn2)C1 ZINC000181090908 566113239 /nfs/dbraw/zinc/11/32/39/566113239.db2.gz UAXBSYKUGXHTMX-MRXNPFEDSA-N 0 0 386.297 3.212 10 30 GGEERN Cc1ccc(N2CCCN(Cc3ccc(C#N)cc3Br)CC2)nn1 ZINC000181090639 566113448 /nfs/dbraw/zinc/11/34/48/566113448.db2.gz ROPBIISIPCGAMJ-UHFFFAOYSA-N 0 0 386.297 3.132 10 30 GGEERN C=CCOc1ccc(C(=O)N[C@@H](CO)c2cccc(Br)c2)cc1 ZINC000181112571 566116112 /nfs/dbraw/zinc/11/61/12/566116112.db2.gz XCYSKXLFWIQJCO-KRWDZBQOSA-N 0 0 376.250 3.477 10 30 GGEERN CCOCCOc1ccc(Br)cc1NCc1ncc(C#N)cn1 ZINC000417023080 566120291 /nfs/dbraw/zinc/12/02/91/566120291.db2.gz IIYFMPQUNUCNGI-UHFFFAOYSA-N 0 0 377.242 3.138 10 30 GGEERN N#Cc1csc(CNc2cc(Br)c(F)cc2N2CCOCC2)n1 ZINC000417063261 566122232 /nfs/dbraw/zinc/12/22/32/566122232.db2.gz IISFBOLRVBBGPR-UHFFFAOYSA-N 0 0 397.273 3.365 10 30 GGEERN O=C1[C@H](N[C@@H](c2cccc(F)c2F)C(F)(F)F)CCN1CC(F)(F)F ZINC000181219456 566124745 /nfs/dbraw/zinc/12/47/45/566124745.db2.gz FRQMEJFARAOFFB-KOLCDFICSA-N 0 0 376.247 3.321 10 30 GGEERN O=C1[C@H](N[C@H](c2cccc(F)c2F)C(F)(F)F)CCN1CC(F)(F)F ZINC000181219471 566124982 /nfs/dbraw/zinc/12/49/82/566124982.db2.gz FRQMEJFARAOFFB-MWLCHTKSSA-N 0 0 376.247 3.321 10 30 GGEERN N#Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(I)cc2)c[nH]1 ZINC000181320916 566132132 /nfs/dbraw/zinc/13/21/32/566132132.db2.gz ISIJFHNHFDEJHU-OAHLLOKOSA-N 0 0 391.212 3.468 10 30 GGEERN C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)c1ccc(Cl)s1 ZINC000181450253 566142362 /nfs/dbraw/zinc/14/23/62/566142362.db2.gz FRXJJKHVTBQXOD-SECBINFHSA-N 0 0 379.873 3.041 10 30 GGEERN CS(=O)(=O)CC[C@H]1CCCCN1Cc1ccc(Br)cc1C#N ZINC000366429343 566151177 /nfs/dbraw/zinc/15/11/77/566151177.db2.gz FIQBEFTWEVIGNG-MRXNPFEDSA-N 0 0 385.327 3.110 10 30 GGEERN CS(=O)(=O)N(CCOc1cccc(C#N)c1)c1cccc(Br)c1 ZINC000181628204 566154157 /nfs/dbraw/zinc/15/41/57/566154157.db2.gz GUKRWEHANNIIGD-UHFFFAOYSA-N 0 0 395.278 3.166 10 30 GGEERN C=C(C)CN(C)C(=O)Nc1cc(I)cc(C(=O)OC)c1 ZINC000181842406 566168564 /nfs/dbraw/zinc/16/85/64/566168564.db2.gz UWSNJMUPIVAUJC-UHFFFAOYSA-N 0 0 388.205 3.118 10 30 GGEERN N#CC(=NOC(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000263632757 566191443 /nfs/dbraw/zinc/19/14/43/566191443.db2.gz SUXMEZFPHHJYPT-UHFFFAOYSA-N 0 0 383.212 3.461 10 30 GGEERN Cn1nccc1C1=CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000367308215 566195028 /nfs/dbraw/zinc/19/50/28/566195028.db2.gz NYTZVCMPVXKUPQ-UHFFFAOYSA-N 0 0 386.253 3.375 10 30 GGEERN N#Cc1cc(C(=O)N2CCC[C@@H]2c2ccccc2I)c[nH]1 ZINC000367699733 566212290 /nfs/dbraw/zinc/21/22/90/566212290.db2.gz RMENIIIRUWECJK-OAHLLOKOSA-N 0 0 391.212 3.468 10 30 GGEERN N#CCN1CCN(C(=O)[C@H]2CCCO[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000182782888 566224417 /nfs/dbraw/zinc/22/44/17/566224417.db2.gz UFZLVQQOOYORBN-RDJZCZTQSA-N 0 0 382.291 3.129 10 30 GGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(Br)cc1Br ZINC000182795966 566224861 /nfs/dbraw/zinc/22/48/61/566224861.db2.gz VOXNPQUIUGBHAG-VIFPVBQESA-N 0 0 378.064 3.270 10 30 GGEERN C[C@H](CC(=O)N[C@@H](C#N)c1ccc(Br)cc1)NC(=O)C1CCCC1 ZINC000264866744 566226237 /nfs/dbraw/zinc/22/62/37/566226237.db2.gz GZDIDOKILSPEEI-WBMJQRKESA-N 0 0 392.297 3.215 10 30 GGEERN Cc1nn(C)c(C)c1CCC(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000264907932 566226955 /nfs/dbraw/zinc/22/69/55/566226955.db2.gz QKARDKPNYRTMDQ-INIZCTEOSA-N 0 0 375.270 3.113 10 30 GGEERN CC(C)C(=O)N1CCC(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000264907914 566227214 /nfs/dbraw/zinc/22/72/14/566227214.db2.gz QJNSWRRDULUCDU-INIZCTEOSA-N 0 0 392.297 3.025 10 30 GGEERN N#Cc1cccc(S(=O)(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)c1 ZINC000182876026 566227335 /nfs/dbraw/zinc/22/73/35/566227335.db2.gz XSUPOZPXQSNFRE-CQSZACIVSA-N 0 0 376.306 3.418 10 30 GGEERN C#CCCN1C(=O)[C@@H](CC(=O)NC)S/C1=N/c1ccc(Cl)c(Cl)c1 ZINC000264932970 566227550 /nfs/dbraw/zinc/22/75/50/566227550.db2.gz QHSLNLWPOGNPHC-MMOSJZJFSA-N 0 0 384.288 3.084 10 30 GGEERN Cc1cc(C)nc(SCC(=O)N[C@@H](C#N)c2ccc(Br)cc2)n1 ZINC000264927566 566227938 /nfs/dbraw/zinc/22/79/38/566227938.db2.gz XBXAJICPHWFLNG-AWEZNQCLSA-N 0 0 391.294 3.329 10 30 GGEERN Cc1ccc(NC(=O)N2CCN(Cc3nc(C#N)cs3)CC2)cc1Cl ZINC000419221104 566231131 /nfs/dbraw/zinc/23/11/31/566231131.db2.gz CCEVRCJGCHTIKI-UHFFFAOYSA-N 0 0 375.885 3.326 10 30 GGEERN N#Cc1ccsc1C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000182955645 566232069 /nfs/dbraw/zinc/23/20/69/566232069.db2.gz WASGTJXUADWBFJ-ZDUSSCGKSA-N 0 0 380.256 3.462 10 30 GGEERN COc1ccc(CN(C)C(=O)[C@H](C)SCc2nc(C#N)cs2)cc1F ZINC000419635931 566240255 /nfs/dbraw/zinc/24/02/55/566240255.db2.gz DEIQSNBJMCYVTJ-NSHDSACASA-N 0 0 379.482 3.443 10 30 GGEERN CCOCCOc1ccc(Br)cc1NC(=O)c1cc(C#N)cn1C ZINC000183192102 566240590 /nfs/dbraw/zinc/24/05/90/566240590.db2.gz MBGGVHMPZBCOCV-UHFFFAOYSA-N 0 0 392.253 3.327 10 30 GGEERN COc1cc(OC)cc(N2CC[C@@H](SCc3nc(C#N)cs3)C2=O)c1 ZINC000419657759 566240740 /nfs/dbraw/zinc/24/07/40/566240740.db2.gz YMRPMOPDTWEVCK-OAHLLOKOSA-N 0 0 375.475 3.071 10 30 GGEERN CC(C)OCc1cccc(CNC(=O)CSCc2nc(C#N)cs2)c1 ZINC000419654836 566240767 /nfs/dbraw/zinc/24/07/67/566240767.db2.gz VPCSMHDCZZUSME-UHFFFAOYSA-N 0 0 375.519 3.489 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CC[C@H](Oc3cccc(F)c3)C2)ccc1Cl ZINC000183241279 566241702 /nfs/dbraw/zinc/24/17/02/566241702.db2.gz ZOYMUXRLLVMOJC-HNNXBMFYSA-N 0 0 380.828 3.193 10 30 GGEERN N#Cc1cccc(NC(=O)C(=O)N[C@H]2CCC23CCCC3)c1Br ZINC000419727466 566243244 /nfs/dbraw/zinc/24/32/44/566243244.db2.gz LLDCPLCVCCEWFY-ZDUSSCGKSA-N 0 0 376.254 3.098 10 30 GGEERN Cc1nc([C@H]2CCCCCN2S(=O)(=O)c2cccc(Cl)c2C#N)no1 ZINC000368696764 566244308 /nfs/dbraw/zinc/24/43/08/566244308.db2.gz NKWKYLKGBVUDSO-CQSZACIVSA-N 0 0 380.857 3.209 10 30 GGEERN Cc1nc([C@@H]2CCCCCN2S(=O)(=O)c2cccc(Cl)c2C#N)no1 ZINC000368696763 566244410 /nfs/dbraw/zinc/24/44/10/566244410.db2.gz NKWKYLKGBVUDSO-AWEZNQCLSA-N 0 0 380.857 3.209 10 30 GGEERN C=CC[C@H](CO)NC(=O)Nc1c(C)c(C)nn1-c1ccc(Br)cc1 ZINC000183413444 566246138 /nfs/dbraw/zinc/24/61/38/566246138.db2.gz NSLPGBTVYYTOKP-CQSZACIVSA-N 0 0 393.285 3.310 10 30 GGEERN C=CC[C@H](CO)NC(=O)Nc1c(-c2ccc(Br)cc2)c(C)nn1C ZINC000183413199 566246287 /nfs/dbraw/zinc/24/62/87/566246287.db2.gz ZVLHNRPIDJQZRL-CQSZACIVSA-N 0 0 393.285 3.217 10 30 GGEERN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000183412126 566246330 /nfs/dbraw/zinc/24/63/30/566246330.db2.gz AUGURDQCSRTMMB-LLVKDONJSA-N 0 0 378.837 3.022 10 30 GGEERN CC(C)(C)CN(CCC#N)C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183428225 566246692 /nfs/dbraw/zinc/24/66/92/566246692.db2.gz DPMBADFZRJIAHV-UHFFFAOYSA-N 0 0 394.269 3.182 10 30 GGEERN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2snc(Cl)c2C#N)C1 ZINC000266215408 566247236 /nfs/dbraw/zinc/24/72/36/566247236.db2.gz GVGVEZLFXLKXBR-VIFPVBQESA-N 0 0 380.823 3.295 10 30 GGEERN N#Cc1cc(N2CCCSCC2)cc(N2CCCSCC2)c1[N+](=O)[O-] ZINC000266318997 566248913 /nfs/dbraw/zinc/24/89/13/566248913.db2.gz FMTZTSNZZFSQSZ-UHFFFAOYSA-N 0 0 378.523 3.353 10 30 GGEERN O=C([C@@H]1CCCN1CC(F)(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000462119241 566250408 /nfs/dbraw/zinc/25/04/08/566250408.db2.gz GJKANZPHJWJVAU-QMMMGPOBSA-N 0 0 386.258 3.356 10 30 GGEERN C=CCn1c(-c2ccc(Br)cc2)nnc1N(C)Cc1ccnn1C ZINC000508907930 566250863 /nfs/dbraw/zinc/25/08/63/566250863.db2.gz PPQOIFIMPSAORM-UHFFFAOYSA-N 0 0 387.285 3.264 10 30 GGEERN C=CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](COC)C1 ZINC000508938476 566251769 /nfs/dbraw/zinc/25/17/69/566251769.db2.gz KDPZLDNRIODMTP-CYBMUJFWSA-N 0 0 377.286 3.366 10 30 GGEERN C=CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](COC)C1 ZINC000508938477 566252081 /nfs/dbraw/zinc/25/20/81/566252081.db2.gz KDPZLDNRIODMTP-ZDUSSCGKSA-N 0 0 377.286 3.366 10 30 GGEERN CC[N@@H+](Cc1ccccc1Br)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599273269 566252195 /nfs/dbraw/zinc/25/21/95/566252195.db2.gz BKUJPYWQNCZJAJ-INIZCTEOSA-N 0 0 381.314 3.342 10 30 GGEERN CC(C)(CCC#N)CN1C(=O)[C@@H]2Cc3c(Br)cccc3CN2C1=O ZINC000419942133 566253584 /nfs/dbraw/zinc/25/35/84/566253584.db2.gz NXFCUFLOOGAINV-HNNXBMFYSA-N 0 0 390.281 3.468 10 30 GGEERN CCC(F)(F)C(C)(C)CS(=O)(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000599339254 566254987 /nfs/dbraw/zinc/25/49/87/566254987.db2.gz LJTQXMQGPLXMCE-UHFFFAOYSA-N 0 0 391.509 3.143 10 30 GGEERN Cc1cc(Br)c(F)cc1S(=O)(=O)NCC1(C#N)CCCC1 ZINC000599337324 566255233 /nfs/dbraw/zinc/25/52/33/566255233.db2.gz YPSCMQDPVNIEDU-UHFFFAOYSA-N 0 0 375.263 3.259 10 30 GGEERN N#CC1(C[C@H](O)CN2CCc3c(Br)ccc(F)c3C2)CCOCC1 ZINC000599365226 566256751 /nfs/dbraw/zinc/25/67/51/566256751.db2.gz VQPUHZGCTCUNBL-ZDUSSCGKSA-N 0 0 397.288 3.018 10 30 GGEERN C=CC[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)OC)c(C(F)(F)F)c2)C1 ZINC000599375407 566258333 /nfs/dbraw/zinc/25/83/33/566258333.db2.gz VGULQLPNVFCHCU-NSHDSACASA-N 0 0 377.384 3.079 10 30 GGEERN C[C@@H](C#N)CN(C(=O)Nc1cc(Br)cnc1-n1cccn1)C1CC1 ZINC000444935936 566260711 /nfs/dbraw/zinc/26/07/11/566260711.db2.gz IMXVJNWQJXIPGQ-NSHDSACASA-N 0 0 389.257 3.186 10 30 GGEERN N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2sccc2Cl)cc1 ZINC000509077377 566260509 /nfs/dbraw/zinc/26/05/09/566260509.db2.gz ARDHYNNPTZMFKO-ZDUSSCGKSA-N 0 0 377.878 3.427 10 30 GGEERN N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2sccc2Cl)cc1 ZINC000509077373 566261444 /nfs/dbraw/zinc/26/14/44/566261444.db2.gz ARDHYNNPTZMFKO-CYBMUJFWSA-N 0 0 377.878 3.427 10 30 GGEERN C=CCn1c(=O)[nH]nc1SCc1cc(Br)ccc1C(=O)OC ZINC000509076541 566261681 /nfs/dbraw/zinc/26/16/81/566261681.db2.gz ZVQBCQLSTANLGZ-UHFFFAOYSA-N 0 0 384.255 3.011 10 30 GGEERN N#CC1(C[C@H](O)CN2CCC[C@@H]2c2ccc(Br)cn2)CCOCC1 ZINC000599402808 566261952 /nfs/dbraw/zinc/26/19/52/566261952.db2.gz GWAQXIYQJWBDFN-DOTOQJQBSA-N 0 0 394.313 3.052 10 30 GGEERN C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CC1(C)COC1 ZINC000624976970 566263403 /nfs/dbraw/zinc/26/34/03/566263403.db2.gz MTGUEAAGTSBAMG-UHFFFAOYSA-N 0 0 394.317 3.095 10 30 GGEERN N#CC1(C[C@@H](O)CN2CCc3c(F)ccc(Br)c3C2)CCOCC1 ZINC000599430852 566263677 /nfs/dbraw/zinc/26/36/77/566263677.db2.gz BMLOLTAJNNHTJA-CYBMUJFWSA-N 0 0 397.288 3.018 10 30 GGEERN N#CC1(C[C@H](O)CN2CCc3c(F)ccc(Br)c3C2)CCOCC1 ZINC000599430853 566263716 /nfs/dbraw/zinc/26/37/16/566263716.db2.gz BMLOLTAJNNHTJA-ZDUSSCGKSA-N 0 0 397.288 3.018 10 30 GGEERN C=CCOc1ccc(CN2CCc3sc(S(N)(=O)=O)cc3C2)cc1Cl ZINC000668758989 566265394 /nfs/dbraw/zinc/26/53/94/566265394.db2.gz BAVBVLHWGCDMEW-UHFFFAOYSA-N 0 0 398.937 3.172 10 30 GGEERN N#CC1(CS(=O)(=O)NCc2ccc(Br)c(F)c2F)CCCC1 ZINC000599445800 566266196 /nfs/dbraw/zinc/26/61/96/566266196.db2.gz VAVKDUXQVVOYPQ-UHFFFAOYSA-N 0 0 393.253 3.231 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000668795999 566266968 /nfs/dbraw/zinc/26/69/68/566266968.db2.gz ISYPYVCAGMHNJO-INIZCTEOSA-N 0 0 379.298 3.068 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2)CCCC1 ZINC000599490815 566268958 /nfs/dbraw/zinc/26/89/58/566268958.db2.gz OIRUXBNIZARXEV-AWEZNQCLSA-N 0 0 385.892 3.061 10 30 GGEERN C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1S(=O)(=O)c1ccc(C#N)o1 ZINC000599493851 566269308 /nfs/dbraw/zinc/26/93/08/566269308.db2.gz VNWTZFDQJWPUEL-WCQYABFASA-N 0 0 395.278 3.480 10 30 GGEERN C[C@]12CCCC[C@H]1CN2S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000599507134 566270232 /nfs/dbraw/zinc/27/02/32/566270232.db2.gz PCZSMAMXRQPYGR-NHYWBVRUSA-N 0 0 387.274 3.413 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@H](CCO)c2cc(Cl)cc(Cl)c2)CCCC1 ZINC000599505444 566270360 /nfs/dbraw/zinc/27/03/60/566270360.db2.gz PJMQKDFRPVZZOZ-OAHLLOKOSA-N 0 0 391.320 3.420 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCc1ccc(Br)cc1F ZINC000668838166 566270720 /nfs/dbraw/zinc/27/07/20/566270720.db2.gz QQLFYJUGJPSPCN-MRXNPFEDSA-N 0 0 385.277 3.108 10 30 GGEERN CC(C)(CC#N)CS(=O)(=O)N1CCc2cc(F)cc(Br)c2C1 ZINC000599516881 566271821 /nfs/dbraw/zinc/27/18/21/566271821.db2.gz YVYPKIZRLOJMSE-UHFFFAOYSA-N 0 0 389.290 3.216 10 30 GGEERN COc1cc(S(=O)(=O)N2CCc3c(CC#N)cccc3C2)ccc1Cl ZINC000599516323 566272145 /nfs/dbraw/zinc/27/21/45/566272145.db2.gz QTXZGAGADRMYNY-UHFFFAOYSA-N 0 0 376.865 3.162 10 30 GGEERN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCc2cc(Cl)cc(Cl)c2[C@@H]1C ZINC000509184164 566272935 /nfs/dbraw/zinc/27/29/35/566272935.db2.gz IEQHWLAWJZWOSV-QWRGUYRKSA-N 0 0 376.309 3.391 10 30 GGEERN C[C@H](CC#N)N(C)S(=O)(=O)N1CCc2cc(Cl)cc(Cl)c2[C@H]1C ZINC000509184147 566273073 /nfs/dbraw/zinc/27/30/73/566273073.db2.gz IEQHWLAWJZWOSV-GHMZBOCLSA-N 0 0 376.309 3.391 10 30 GGEERN CCN(CCC#N)C(=O)CN1CCC[C@@H]1c1ccc(Br)cc1OC ZINC000599573765 566275273 /nfs/dbraw/zinc/27/52/73/566275273.db2.gz XCPPUCXTNSBXPA-MRXNPFEDSA-N 0 0 394.313 3.357 10 30 GGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000669043290 566280936 /nfs/dbraw/zinc/28/09/36/566280936.db2.gz FCLQGWZKJISNHE-QWRGUYRKSA-N 0 0 375.416 3.029 10 30 GGEERN C=CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H]2COC[C@H]2C1 ZINC000669062661 566281027 /nfs/dbraw/zinc/28/10/27/566281027.db2.gz NUVUTKMKFUDTOE-LSDHHAIUSA-N 0 0 389.297 3.366 10 30 GGEERN C=CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H]2COC[C@@H]2C1 ZINC000669062658 566281040 /nfs/dbraw/zinc/28/10/40/566281040.db2.gz NUVUTKMKFUDTOE-CABCVRRESA-N 0 0 389.297 3.366 10 30 GGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000669043287 566281174 /nfs/dbraw/zinc/28/11/74/566281174.db2.gz FCLQGWZKJISNHE-GHMZBOCLSA-N 0 0 375.416 3.029 10 30 GGEERN C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCC2(COC2)C1 ZINC000669060764 566281776 /nfs/dbraw/zinc/28/17/76/566281776.db2.gz BKBBGMULOZETAD-UHFFFAOYSA-N 0 0 393.260 3.259 10 30 GGEERN C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000599651974 566281831 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GGEERN C=CCn1c(Nc2ccn(CC)n2)nnc1-c1cc(Br)cn1C ZINC000669065435 566283227 /nfs/dbraw/zinc/28/32/27/566283227.db2.gz MOQGSKSXGYLESQ-UHFFFAOYSA-N 0 0 376.262 3.192 10 30 GGEERN C=CCn1c(-c2ccc(Br)s2)nnc1N1C[C@H]2COC[C@@]2(C)C1 ZINC000669063893 566283331 /nfs/dbraw/zinc/28/33/31/566283331.db2.gz GZOLOPJFRVXDHB-MEDUHNTESA-N 0 0 395.326 3.428 10 30 GGEERN Cn1cc(C#N)cc1-c1nc(CC(=O)Nc2cc(Cl)cc(Cl)c2)no1 ZINC000445374177 566284091 /nfs/dbraw/zinc/28/40/91/566284091.db2.gz KAOJQNHQEDHNAG-UHFFFAOYSA-N 0 0 376.203 3.435 10 30 GGEERN C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1c(Cl)cccc1Br ZINC000509265853 566284751 /nfs/dbraw/zinc/28/47/51/566284751.db2.gz WQVCHGGLRZKBFZ-GWCFXTLKSA-N 0 0 394.718 3.362 10 30 GGEERN Cn1cc(C#N)cc1-c1nc(CC(=O)Nc2cc(Cl)ccc2Cl)no1 ZINC000445340611 566284978 /nfs/dbraw/zinc/28/49/78/566284978.db2.gz GNESCWCKINCURV-UHFFFAOYSA-N 0 0 376.203 3.435 10 30 GGEERN CC(C)[C@](C)(C#N)NC(=O)CN1CCc2cc(F)cc(Br)c2C1 ZINC000599682490 566286259 /nfs/dbraw/zinc/28/62/59/566286259.db2.gz KKPDMFHFHJLQHI-KRWDZBQOSA-N 0 0 382.277 3.001 10 30 GGEERN Cc1cc(I)cn(CC#Cc2ccc(Cl)cc2)c1=O ZINC000535232670 566288284 /nfs/dbraw/zinc/28/82/84/566288284.db2.gz DXEQKXCWOHMBIF-UHFFFAOYSA-N 0 0 383.616 3.466 10 30 GGEERN N#Cc1cncc(N2CCC[C@@H]2c2ccccc2I)n1 ZINC000420597149 566289112 /nfs/dbraw/zinc/28/91/12/566289112.db2.gz IKBQQMNFUCLMMF-CQSZACIVSA-N 0 0 376.201 3.294 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(CC)CCOc1ccc(Br)cc1 ZINC000669218253 566290245 /nfs/dbraw/zinc/29/02/45/566290245.db2.gz GYDXHTOATYUUNB-QGZVFWFLSA-N 0 0 397.313 3.147 10 30 GGEERN COc1cc(CNC(=O)c2ccc(Br)cc2OC)ccc1C#N ZINC000575843434 566290995 /nfs/dbraw/zinc/29/09/95/566290995.db2.gz PGIVVJOMLBXHDU-UHFFFAOYSA-N 0 0 375.222 3.268 10 30 GGEERN C=CCCOCCNC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000535308016 566293738 /nfs/dbraw/zinc/29/37/38/566293738.db2.gz RLWHLIZBAAOTNR-KRWDZBQOSA-N 0 0 387.307 3.076 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC000669310397 566295298 /nfs/dbraw/zinc/29/52/98/566295298.db2.gz DZOYEGBTIPGIOT-AWEZNQCLSA-N 0 0 378.885 3.192 10 30 GGEERN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H]2COC[C@@H]2C1 ZINC000669310144 566295363 /nfs/dbraw/zinc/29/53/63/566295363.db2.gz AOAGARLLKPKNIA-OLZOCXBDSA-N 0 0 392.301 3.085 10 30 GGEERN N#C[C@H](NC(=O)[C@H]1COc2ccc(Br)cc21)c1ccc(F)cc1 ZINC000535331184 566295528 /nfs/dbraw/zinc/29/55/28/566295528.db2.gz BWRKDDZCZSTGRR-GJZGRUSLSA-N 0 0 375.197 3.445 10 30 GGEERN CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(CC#N)CC1 ZINC000575895009 566295699 /nfs/dbraw/zinc/29/56/99/566295699.db2.gz XVTSHZARBHRBPM-UHFFFAOYSA-N 0 0 377.290 3.196 10 30 GGEERN N#C[C@@H](NC(=O)[C@H]1COc2ccc(Br)cc21)c1ccc(F)cc1 ZINC000535331191 566295656 /nfs/dbraw/zinc/29/56/56/566295656.db2.gz BWRKDDZCZSTGRR-LSDHHAIUSA-N 0 0 375.197 3.445 10 30 GGEERN COCc1nc(C)c(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)s1 ZINC000535332710 566296804 /nfs/dbraw/zinc/29/68/04/566296804.db2.gz OVCFRBMSRDFKHJ-LBPRGKRZSA-N 0 0 380.267 3.355 10 30 GGEERN N#CC1CN(C(=O)Nc2cc(OC(F)(F)F)c(F)cc2Br)C1 ZINC000599849662 566299100 /nfs/dbraw/zinc/29/91/00/566299100.db2.gz KIPOHWBWRWTEGG-UHFFFAOYSA-N 0 0 382.111 3.474 10 30 GGEERN N#Cc1ccc(OCCNS(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000462412458 566299342 /nfs/dbraw/zinc/29/93/42/566299342.db2.gz SVVVNEGIPUCKIB-UHFFFAOYSA-N 0 0 377.274 3.284 10 30 GGEERN CCc1noc(CC)c1CC(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000445689562 566304923 /nfs/dbraw/zinc/30/49/23/566304923.db2.gz ISEAXJHTLFTPNK-OAHLLOKOSA-N 0 0 376.254 3.485 10 30 GGEERN C[C@@](O)(CNC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F)C(F)(F)F ZINC000482392690 566305268 /nfs/dbraw/zinc/30/52/68/566305268.db2.gz VMSVOJPLVIUKAK-MWLCHTKSSA-N 0 0 380.235 3.181 10 30 GGEERN C=CCCCC(=O)N[C@@H](Cc1c[nH]c2cccc(Br)c12)C(=O)OC ZINC000535448780 566305751 /nfs/dbraw/zinc/30/57/51/566305751.db2.gz WZQMSCKZVUNJMK-HNNXBMFYSA-N 0 0 393.281 3.487 10 30 GGEERN C=CC(C)(C)CCNS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000625327629 566306828 /nfs/dbraw/zinc/30/68/28/566306828.db2.gz IGDWYIZNMRECKI-UHFFFAOYSA-N 0 0 386.583 3.334 10 30 GGEERN N#Cc1ccc(NC(=O)C(=O)NCC[C@@H]2CC=CCC2)cc1Br ZINC000600043668 566310214 /nfs/dbraw/zinc/31/02/14/566310214.db2.gz LZMNJZDFINEDOR-GFCCVEGCSA-N 0 0 376.254 3.122 10 30 GGEERN N#Cc1cc(NC(=O)C(=O)NCC[C@@H]2CC=CCC2)ccc1Br ZINC000600043000 566310579 /nfs/dbraw/zinc/31/05/79/566310579.db2.gz FWLWSLWRNSJECR-GFCCVEGCSA-N 0 0 376.254 3.122 10 30 GGEERN C=CC[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)C1 ZINC000625353809 566312003 /nfs/dbraw/zinc/31/20/03/566312003.db2.gz GZKKYFXQXMQHAE-LSDHHAIUSA-N 0 0 385.913 3.342 10 30 GGEERN C=CC[C@H]1CCN(S(=O)(=O)c2cc(OC)c(OC)cc2Br)C1 ZINC000625350362 566312456 /nfs/dbraw/zinc/31/24/56/566312456.db2.gz MRDDICLIYDMVSI-NSHDSACASA-N 0 0 390.299 3.053 10 30 GGEERN C=CC[C@@H]1CCN(S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C1 ZINC000625350346 566312911 /nfs/dbraw/zinc/31/29/11/566312911.db2.gz MFSNUZPORMMMQN-CQSZACIVSA-N 0 0 384.567 3.040 10 30 GGEERN CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1c[nH]cc(Br)c1=O ZINC000535644228 566315599 /nfs/dbraw/zinc/31/55/99/566315599.db2.gz PZOMCYMTKYCJGG-INIZCTEOSA-N 0 0 390.237 3.051 10 30 GGEERN CC[C@@H](CC#N)NCc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC000600153282 566319888 /nfs/dbraw/zinc/31/98/88/566319888.db2.gz XYCNNOAQLGFXGA-INIZCTEOSA-N 0 0 386.323 3.486 10 30 GGEERN Cc1cc(Br)c(CN2CC[C@](O)(CC#N)C2)cc1Br ZINC000600166603 566320295 /nfs/dbraw/zinc/32/02/95/566320295.db2.gz FUXWLULLBUUBRY-CQSZACIVSA-N 0 0 388.103 3.371 10 30 GGEERN CC1(C#N)CN(Cc2cc(Cl)cc(Cl)c2OCCN2CCOCC2)C1 ZINC000600172427 566321176 /nfs/dbraw/zinc/32/11/76/566321176.db2.gz HQSAUHSIDSHVDI-UHFFFAOYSA-N 0 0 384.307 3.050 10 30 GGEERN C=CC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000600212710 566325320 /nfs/dbraw/zinc/32/53/20/566325320.db2.gz HFBYXTBRSQKVRO-SNVBAGLBSA-N 0 0 386.189 3.238 10 30 GGEERN C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(OCC)CC1 ZINC000669815580 566328387 /nfs/dbraw/zinc/32/83/87/566328387.db2.gz HUNUXHJVTYMVBO-UHFFFAOYSA-N 0 0 394.317 3.237 10 30 GGEERN C=CCn1c([C@H]2COCCO2)nnc1N(C)Cc1ccc(Cl)cc1Cl ZINC000669812777 566329188 /nfs/dbraw/zinc/32/91/88/566329188.db2.gz MRAIQLOLFVQKPS-OAHLLOKOSA-N 0 0 383.279 3.495 10 30 GGEERN N#Cc1csc(C(=O)N[C@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC000600303610 566331238 /nfs/dbraw/zinc/33/12/38/566331238.db2.gz DJEZXNHZEZZJSW-QGZVFWFLSA-N 0 0 391.290 3.032 10 30 GGEERN N#Cc1ccc(C(=O)N[C@]2(CO)CCc3cc(Br)ccc3C2)s1 ZINC000600304189 566331549 /nfs/dbraw/zinc/33/15/49/566331549.db2.gz KDGMRRCRYZWRJK-QGZVFWFLSA-N 0 0 391.290 3.032 10 30 GGEERN COc1ncc(Br)cc1CNC(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000600324134 566332201 /nfs/dbraw/zinc/33/22/01/566332201.db2.gz DDTOKFWKXZUYKO-GFCCVEGCSA-N 0 0 388.265 3.219 10 30 GGEERN N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC(F)(c3ccccn3)CC2)c1 ZINC000576284584 566332260 /nfs/dbraw/zinc/33/22/60/566332260.db2.gz AUICEJRCWPSHGY-UHFFFAOYSA-N 0 0 379.844 3.256 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)N[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000600304791 566332531 /nfs/dbraw/zinc/33/25/31/566332531.db2.gz PHQDWKWYNLCKDS-HXUWFJFHSA-N 0 0 399.288 3.279 10 30 GGEERN N#CCc1cccc(C(=O)N[C@]2(CO)CCc3cc(Br)ccc3C2)c1 ZINC000600305150 566333037 /nfs/dbraw/zinc/33/30/37/566333037.db2.gz SFVZQERXUDMAJW-HXUWFJFHSA-N 0 0 399.288 3.165 10 30 GGEERN N#CC1(CS(=O)(=O)NCC(=O)c2cccc(Cl)c2Cl)CCCC1 ZINC000625548271 566333166 /nfs/dbraw/zinc/33/31/66/566333166.db2.gz HGGFZHDPZBDRGK-UHFFFAOYSA-N 0 0 375.277 3.179 10 30 GGEERN COc1ncc(Br)cc1CNC(=O)[C@H](C#N)CCc1ccccc1 ZINC000600340502 566334343 /nfs/dbraw/zinc/33/43/43/566334343.db2.gz IGIZLIAWKDHFFO-AWEZNQCLSA-N 0 0 388.265 3.241 10 30 GGEERN COc1ncc(Br)cc1CNC(=O)[C@@H](C#N)CCc1ccccc1 ZINC000600340504 566334451 /nfs/dbraw/zinc/33/44/51/566334451.db2.gz IGIZLIAWKDHFFO-CQSZACIVSA-N 0 0 388.265 3.241 10 30 GGEERN CC1(C)CCC[C@@](CO)(NC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000600367838 566335098 /nfs/dbraw/zinc/33/50/98/566335098.db2.gz XMGSHCGWISTXTD-GOSISDBHSA-N 0 0 379.298 3.311 10 30 GGEERN Cc1cc(Br)c(NC(=O)Cn2cc(C#N)cn2)c(Br)c1 ZINC000509790788 566338173 /nfs/dbraw/zinc/33/81/73/566338173.db2.gz AFLAFCMVVNNCFF-UHFFFAOYSA-N 0 0 398.058 3.227 10 30 GGEERN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc[nH]c(=O)c1Br ZINC000446307350 566341437 /nfs/dbraw/zinc/34/14/37/566341437.db2.gz HRSUQMDKXUWVIJ-CABCVRRESA-N 0 0 386.249 3.462 10 30 GGEERN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc[nH]c(=O)c1Br ZINC000446307351 566341506 /nfs/dbraw/zinc/34/15/06/566341506.db2.gz HRSUQMDKXUWVIJ-GJZGRUSLSA-N 0 0 386.249 3.462 10 30 GGEERN CCCNc1ccc(C#N)cc1NC(=O)c1cc[nH]c(=O)c1Br ZINC000446314736 566342092 /nfs/dbraw/zinc/34/20/92/566342092.db2.gz YBQUAMNCSSTTOK-UHFFFAOYSA-N 0 0 375.226 3.496 10 30 GGEERN Cc1cc(Br)ccc1[C@H]1CCCN1C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000600507307 566342105 /nfs/dbraw/zinc/34/21/05/566342105.db2.gz CFPSXXVBOFASLI-IUODEOHRSA-N 0 0 388.269 3.145 10 30 GGEERN C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)C1(C#N)CCOCC1 ZINC000600590486 566348651 /nfs/dbraw/zinc/34/86/51/566348651.db2.gz CYVOVRHIIYJACL-HIFRSBDPSA-N 0 0 377.282 3.474 10 30 GGEERN 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/nfs/dbraw/zinc/52/35/78/566523578.db2.gz LJEUGKGVPBZVDY-CXAGYDPISA-N 0 0 384.307 3.375 10 30 GGEERN N#CC1(CS(=O)(=O)NCc2cc(Br)ccc2F)CCCC1 ZINC000559134957 566528297 /nfs/dbraw/zinc/52/82/97/566528297.db2.gz XRNUPOXKHUETSV-UHFFFAOYSA-N 0 0 375.263 3.092 10 30 GGEERN C=C[C@@H](C)NC(=O)C(=O)Nc1cc(Cl)cc(Br)c1OCC ZINC000465359153 566529991 /nfs/dbraw/zinc/52/99/91/566529991.db2.gz ZSHGXDLMYLXQKO-MRVPVSSYSA-N 0 0 375.650 3.130 10 30 GGEERN C=CCCCN(C)S(=O)(=O)c1cc(Br)ccc1OCCOC ZINC000485922852 566540293 /nfs/dbraw/zinc/54/02/93/566540293.db2.gz KPVKTFQKOBDLEO-UHFFFAOYSA-N 0 0 392.315 3.061 10 30 GGEERN Cc1nn(C)c(C)c1NC(=O)CNc1ccc(Br)c(C#N)c1C ZINC000424571526 566540322 /nfs/dbraw/zinc/54/03/22/566540322.db2.gz NJRFFYQEVXWFEH-UHFFFAOYSA-N 0 0 376.258 3.030 10 30 GGEERN N#Cc1cccc(N2CCN(Cc3cccc(Br)c3F)CC2)n1 ZINC000449242314 566541390 /nfs/dbraw/zinc/54/13/90/566541390.db2.gz FIAYQLSTZHWJSO-UHFFFAOYSA-N 0 0 375.245 3.177 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@@H]1[C@H]1CCCC1=O ZINC000651607920 566542377 /nfs/dbraw/zinc/54/23/77/566542377.db2.gz GRYYJUIXEVBWJI-HZPDHXFCSA-N 0 0 375.266 3.223 10 30 GGEERN N#C[C@H](NC(=O)c1cnc(OCC2CC2)cn1)c1cccc(Br)c1 ZINC000578651531 566542467 /nfs/dbraw/zinc/54/24/67/566542467.db2.gz ZRGWMDYRLUZEEE-AWEZNQCLSA-N 0 0 387.237 3.023 10 30 GGEERN C=CCOc1c(Cl)cc(CN2CCS(=O)(=O)[C@@H]3CCC[C@H]32)cc1OC ZINC000628301654 566544766 /nfs/dbraw/zinc/54/47/66/566544766.db2.gz BFIXTSVFWCBVCG-NVXWUHKLSA-N 0 0 385.913 3.065 10 30 GGEERN C=CCOc1c(Cl)cc(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)cc1OC ZINC000628301653 566544931 /nfs/dbraw/zinc/54/49/31/566544931.db2.gz BFIXTSVFWCBVCG-DOTOQJQBSA-N 0 0 385.913 3.065 10 30 GGEERN C[C@@H]1Cc2ccc(Br)cc2CN1S(=O)(=O)CC1(C#N)CCC1 ZINC000578699618 566545805 /nfs/dbraw/zinc/54/58/05/566545805.db2.gz QPCSUQNILANQCS-GFCCVEGCSA-N 0 0 383.311 3.219 10 30 GGEERN C=CC(C)(C)CCNC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000628318750 566546242 /nfs/dbraw/zinc/54/62/42/566546242.db2.gz RLJXBTRFEBLNAG-UHFFFAOYSA-N 0 0 393.336 3.380 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N1CCCCC[C@H]1CC(=O)c1ccco1 ZINC000651646927 566548044 /nfs/dbraw/zinc/54/80/44/566548044.db2.gz XKNITRJYFXASMC-ZDUSSCGKSA-N 0 0 378.475 3.419 10 30 GGEERN C=CCC1(C(=O)NCc2cc(OC)c(OC)cc2Br)CCOCC1 ZINC000424637227 566549772 /nfs/dbraw/zinc/54/97/72/566549772.db2.gz FBGWPCZEMJICMR-UHFFFAOYSA-N 0 0 398.297 3.455 10 30 GGEERN N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)CC1 ZINC000512691472 566550839 /nfs/dbraw/zinc/55/08/39/566550839.db2.gz RJBYNKHXRHUIFG-SOUVJXGZSA-N 0 0 398.251 3.059 10 30 GGEERN C=C1CCN(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000424649936 566552032 /nfs/dbraw/zinc/55/20/32/566552032.db2.gz NNWKOTZUEMQQKI-UHFFFAOYSA-N 0 0 386.311 3.182 10 30 GGEERN C=CCN(C(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1)C1CC1 ZINC000539030963 566554511 /nfs/dbraw/zinc/55/45/11/566554511.db2.gz HIWBZGPNENYNKF-LBPRGKRZSA-N 0 0 386.311 3.036 10 30 GGEERN N#Cc1c(NC(=O)Cc2c(F)ccc(Br)c2F)n[nH]c1C1CC1 ZINC000578809928 566555252 /nfs/dbraw/zinc/55/52/52/566555252.db2.gz MTFPOTGSZUZRSR-UHFFFAOYSA-N 0 0 381.180 3.381 10 30 GGEERN C=CCC1(C(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)CCCC1 ZINC000578845461 566559579 /nfs/dbraw/zinc/55/95/79/566559579.db2.gz OFDXTKYKKZEALH-HNNXBMFYSA-N 0 0 382.551 3.011 10 30 GGEERN C=CC[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)C1 ZINC000628485058 566560736 /nfs/dbraw/zinc/56/07/36/566560736.db2.gz BABPDPUAYHDHLF-UONOGXRCSA-N 0 0 377.282 3.227 10 30 GGEERN C=CC[C@@H]1CCN(C(=O)C[C@@H](NC(C)=O)c2ccc(Br)cc2)C1 ZINC000628483506 566560851 /nfs/dbraw/zinc/56/08/51/566560851.db2.gz PXQSVFLLOSYOCX-RHSMWYFYSA-N 0 0 379.298 3.441 10 30 GGEERN C=CC[C@H]1CCN(C(=O)CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000628493563 566561601 /nfs/dbraw/zinc/56/16/01/566561601.db2.gz RVWVMIHEGHLKSP-ZDUSSCGKSA-N 0 0 386.311 3.038 10 30 GGEERN CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)N2CCSC[C@@H]2C#N)c1 ZINC000559618476 566561765 /nfs/dbraw/zinc/56/17/65/566561765.db2.gz GCHJRPLQHCLYMJ-ZDUSSCGKSA-N 0 0 379.913 3.083 10 30 GGEERN C=CC[C@H]1CCN(C(=O)CCNC(=O)c2cc(F)ccc2Br)C1 ZINC000628486360 566562859 /nfs/dbraw/zinc/56/28/59/566562859.db2.gz GZHCFRDWPYXMPR-LBPRGKRZSA-N 0 0 383.261 3.133 10 30 GGEERN O=S(=O)(c1c(F)c(F)cc(F)c1F)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000651801942 566564036 /nfs/dbraw/zinc/56/40/36/566564036.db2.gz QRQHOADLKUXFSN-UHFFFAOYSA-N 0 0 395.271 3.298 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)c1cc(F)c(Br)cc1F ZINC000628572501 566565214 /nfs/dbraw/zinc/56/52/14/566565214.db2.gz MJADJSYKHNMYKK-PSLIRLAXSA-N 0 0 389.240 3.375 10 30 GGEERN C=CCCn1cc(C(=O)N2CCc3cc(Br)cc(C)c3C2)nn1 ZINC000424750333 566566906 /nfs/dbraw/zinc/56/69/06/566566906.db2.gz FZUGOGYULJITRE-UHFFFAOYSA-N 0 0 375.270 3.124 10 30 GGEERN CC(C)[C@@](C)(NC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccc(Br)cc1 ZINC000466349606 566567436 /nfs/dbraw/zinc/56/74/36/566567436.db2.gz ISLLIQIOXMWGKR-SJKOYZFVSA-N 0 0 390.285 3.161 10 30 GGEERN C=CCN(CCOC)C(=O)c1c(Br)cccc1Br ZINC000466346488 566567459 /nfs/dbraw/zinc/56/74/59/566567459.db2.gz LAYNNXZZVSZYPF-UHFFFAOYSA-N 0 0 377.076 3.486 10 30 GGEERN C[C@@H](C(=O)N1CCCc2c(Br)ccc(Cl)c21)n1cnc(C#N)n1 ZINC000466333071 566567858 /nfs/dbraw/zinc/56/78/58/566567858.db2.gz OWLLBYHDRBCJIL-VIFPVBQESA-N 0 0 394.660 3.106 10 30 GGEERN C[C@@H](NC(=O)N[C@H](CO)c1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000486266785 566573248 /nfs/dbraw/zinc/57/32/48/566573248.db2.gz DUQACQNTQRNZGR-SJKOYZFVSA-N 0 0 388.265 3.415 10 30 GGEERN COC(=O)c1c(C)c(NC(=O)c2cc(C#N)cn2C)ccc1Br ZINC000486274513 566574312 /nfs/dbraw/zinc/57/43/12/566574312.db2.gz MIABKTKMQUFHLT-UHFFFAOYSA-N 0 0 376.210 3.007 10 30 GGEERN C=CCC1(C(=O)Nc2ccc(I)c(C)n2)CCOCC1 ZINC000424823002 566575391 /nfs/dbraw/zinc/57/53/91/566575391.db2.gz CJOJDZWXEGMIRA-UHFFFAOYSA-N 0 0 386.233 3.306 10 30 GGEERN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cnc(OC)c(Br)c1 ZINC000424847534 566578365 /nfs/dbraw/zinc/57/83/65/566578365.db2.gz WRKRPYDQRCCEQT-UHFFFAOYSA-N 0 0 395.253 3.157 10 30 GGEERN C=CCN1CC[C@@H](N(C)C(=O)c2c(C)cc(Br)cc2Cl)C1=O ZINC000466507354 566581008 /nfs/dbraw/zinc/58/10/08/566581008.db2.gz ZDRALFGOHDNWRN-CYBMUJFWSA-N 0 0 385.689 3.270 10 30 GGEERN C=CCC[C@H](NC(=O)Cc1noc2ccc(Br)cc12)C(=O)OCC ZINC000424865489 566581638 /nfs/dbraw/zinc/58/16/38/566581638.db2.gz MRJOAEILOTUDCW-ZDUSSCGKSA-N 0 0 395.253 3.147 10 30 GGEERN N#CC1(CS(=O)(=O)NCc2cc3cc(Br)ccc3[nH]2)CCCC1 ZINC000466513234 566582086 /nfs/dbraw/zinc/58/20/86/566582086.db2.gz FGTUPYDOOGANPG-UHFFFAOYSA-N 0 0 396.310 3.434 10 30 GGEERN COc1cccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c1OC ZINC000513141121 566582538 /nfs/dbraw/zinc/58/25/38/566582538.db2.gz NISDWPDTSNZDBV-AWEZNQCLSA-N 0 0 375.222 3.461 10 30 GGEERN COc1ccc(OC)c(C(=O)N[C@H](C#N)c2ccc(Br)cc2)c1 ZINC000513135735 566582854 /nfs/dbraw/zinc/58/28/54/566582854.db2.gz NQOFDDFSDPCGFX-OAHLLOKOSA-N 0 0 375.222 3.461 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C1(c2cc(Br)ccc2OC)CC1 ZINC000424905023 566586118 /nfs/dbraw/zinc/58/61/18/566586118.db2.gz BDDNXSJWWRWSIS-WFASDCNBSA-N 0 0 380.282 3.197 10 30 GGEERN CC(=O)N(C)c1ccc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)cc1 ZINC000486427196 566587815 /nfs/dbraw/zinc/58/78/15/566587815.db2.gz ATTIQAWATGGJJP-KRWDZBQOSA-N 0 0 386.249 3.426 10 30 GGEERN C[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)c1ncc(Br)cn1 ZINC000486434139 566588248 /nfs/dbraw/zinc/58/82/48/566588248.db2.gz NFCUYSQNQZBBKL-JTQLQIEISA-N 0 0 398.220 3.257 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(Cl)c(I)c1 ZINC000424929585 566589130 /nfs/dbraw/zinc/58/91/30/566589130.db2.gz BUEARMONPBOXAI-GWCFXTLKSA-N 0 0 391.636 3.266 10 30 GGEERN N#C[C@H]1CC[C@@H](NC(=O)c2ccc3cc(I)ccc3n2)C1 ZINC000424963186 566591399 /nfs/dbraw/zinc/59/13/99/566591399.db2.gz CIFRPRGXDBEWCF-GXFFZTMASA-N 0 0 391.212 3.261 10 30 GGEERN N#Cc1ccc(N2CCN(C(=O)Nc3cc(Cl)c(Cl)cn3)CC2)nc1 ZINC000466697387 566592264 /nfs/dbraw/zinc/59/22/64/566592264.db2.gz WKEAEOIZYXKONC-UHFFFAOYSA-N 0 0 377.235 3.009 10 30 GGEERN N#Cc1cccc(N2CCN(C(=O)Nc3cc(Cl)c(Cl)cn3)CC2)n1 ZINC000466680628 566592360 /nfs/dbraw/zinc/59/23/60/566592360.db2.gz CHNLLRLIWYFJMF-UHFFFAOYSA-N 0 0 377.235 3.009 10 30 GGEERN N#C[C@H](NC(=O)c1ccc(NCC2CC2)nc1)c1ccc(Br)cc1 ZINC000513334978 566595799 /nfs/dbraw/zinc/59/57/99/566595799.db2.gz BMLXQMPLRFFXRV-INIZCTEOSA-N 0 0 385.265 3.083 10 30 GGEERN COc1ccc(C(=O)NCc2ccc(C#N)c(OC)c2)cc1Br ZINC000579295911 566596227 /nfs/dbraw/zinc/59/62/27/566596227.db2.gz YFLVQKWTGLCIIR-UHFFFAOYSA-N 0 0 375.222 3.268 10 30 GGEERN C=CCN(CCc1ccco1)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000486634007 566606944 /nfs/dbraw/zinc/60/69/44/566606944.db2.gz SZIZPQHDPLCFEX-UHFFFAOYSA-N 0 0 383.853 3.124 10 30 GGEERN Cc1csc([C@H](C)NC(=O)COc2cccc(Br)c2C#N)n1 ZINC000449833967 566607244 /nfs/dbraw/zinc/60/72/44/566607244.db2.gz JKDBNXMGIFXHPG-JTQLQIEISA-N 0 0 380.267 3.342 10 30 GGEERN CC(C)Cn1ccnc1NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449831494 566607539 /nfs/dbraw/zinc/60/75/39/566607539.db2.gz WHHHTORGSQCEGC-UHFFFAOYSA-N 0 0 377.242 3.191 10 30 GGEERN Cc1csc([C@@H](C)NC(=O)COc2ccc(C#N)c(Br)c2)n1 ZINC000449834965 566607782 /nfs/dbraw/zinc/60/77/82/566607782.db2.gz NGTACKIFUTUBKI-SNVBAGLBSA-N 0 0 380.267 3.342 10 30 GGEERN CCc1nc(CNC(=O)COc2cccc(Br)c2C#N)cs1 ZINC000449849573 566609467 /nfs/dbraw/zinc/60/94/67/566609467.db2.gz NWDZPJLGEPWCHO-UHFFFAOYSA-N 0 0 380.267 3.035 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000425180922 566612966 /nfs/dbraw/zinc/61/29/66/566612966.db2.gz UQBRFUPZOLEXEQ-UFBFGSQYSA-N 0 0 398.681 3.111 10 30 GGEERN C=CCSCCNC(=O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000513625420 566614651 /nfs/dbraw/zinc/61/46/51/566614651.db2.gz QEXNNAJEUPNSMW-UHFFFAOYSA-N 0 0 396.818 3.255 10 30 GGEERN CC[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)c1nccs1 ZINC000449905856 566615055 /nfs/dbraw/zinc/61/50/55/566615055.db2.gz GXUAVTIXSSTJQK-ZDUSSCGKSA-N 0 0 380.267 3.424 10 30 GGEERN C=CCCCN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 ZINC000605645239 566616756 /nfs/dbraw/zinc/61/67/56/566616756.db2.gz ICPVKBFYWCQBOW-INIZCTEOSA-N 0 0 379.298 3.478 10 30 GGEERN C=CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@]2(CC2(F)F)C1 ZINC000652563625 566618735 /nfs/dbraw/zinc/61/87/35/566618735.db2.gz 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/nfs/dbraw/zinc/62/63/38/566626338.db2.gz CQBFMNSFEYKDTK-HZMBPMFUSA-N 0 0 396.310 3.207 10 30 GGEERN C=CCCOCC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000675136154 566626460 /nfs/dbraw/zinc/62/64/60/566626460.db2.gz WAXCKTMYYUZUOW-GFCCVEGCSA-N 0 0 377.794 3.041 10 30 GGEERN CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000579640517 566626468 /nfs/dbraw/zinc/62/64/68/566626468.db2.gz CQBFMNSFEYKDTK-QMTHXVAHSA-N 0 0 396.310 3.207 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@@H](c3ccccc3)O2)cc1Cl ZINC000579651078 566627626 /nfs/dbraw/zinc/62/76/26/566627626.db2.gz QNTXHHKTAUYZHM-QAPCUYQASA-N 0 0 376.865 3.410 10 30 GGEERN COc1nc(C)c(Br)cc1C(=O)N[C@H](C#N)c1ccc(F)cc1 ZINC000486901147 566634073 /nfs/dbraw/zinc/63/40/73/566634073.db2.gz UJSXQRHHNGLLQO-CQSZACIVSA-N 0 0 378.201 3.295 10 30 GGEERN CC(C)N(Cc1ccc(S(=O)(=O)N(C)C)s1)Cc1ccc(C#N)cc1 ZINC000425399112 566636878 /nfs/dbraw/zinc/63/68/78/566636878.db2.gz OLZRBWRJYKVGIN-UHFFFAOYSA-N 0 0 377.535 3.281 10 30 GGEERN Cc1noc(C2CCC(NC(=O)c3ccc(Br)cc3C#N)CC2)n1 ZINC000450128494 566637063 /nfs/dbraw/zinc/63/70/63/566637063.db2.gz PTHBXWFCAJJFNH-UHFFFAOYSA-N 0 0 389.253 3.468 10 30 GGEERN CCCN(Cc1ccc(S(=O)(=O)N(C)C)s1)Cc1ccc(C#N)cc1 ZINC000425401291 566639133 /nfs/dbraw/zinc/63/91/33/566639133.db2.gz FDCDRQJMSCASOM-UHFFFAOYSA-N 0 0 377.535 3.282 10 30 GGEERN CN(Cc1cc(Br)cn1C)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000560591280 566641317 /nfs/dbraw/zinc/64/13/17/566641317.db2.gz IZIRKRQHVQUWGC-UHFFFAOYSA-N 0 0 390.256 3.489 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](C)Oc1cccc(Br)c1 ZINC000425445768 566643582 /nfs/dbraw/zinc/64/35/82/566643582.db2.gz NJUIJSHDOAMESN-WWGRRREGSA-N 0 0 383.286 3.107 10 30 GGEERN C=CCn1c(S[C@H](C(=O)OC)C2CC2)nc2sc3c(c2c1=O)CCC3 ZINC000514109366 566643541 /nfs/dbraw/zinc/64/35/41/566643541.db2.gz NVTJCNUNMZGSHC-AWEZNQCLSA-N 0 0 376.503 3.176 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](C)Oc1ccccc1Br ZINC000425491616 566648481 /nfs/dbraw/zinc/64/84/81/566648481.db2.gz MKLSEDQQIDCSFJ-YDHLFZDLSA-N 0 0 383.286 3.107 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](C)Oc1ccc(Br)cc1 ZINC000425488462 566649085 /nfs/dbraw/zinc/64/90/85/566649085.db2.gz WWAQNSMCDFWLND-WWGRRREGSA-N 0 0 383.286 3.107 10 30 GGEERN N#Cc1cnc(N2CCO[C@@H](c3cccc(Br)c3)C2)c([N+](=O)[O-])c1 ZINC000450295514 566654728 /nfs/dbraw/zinc/65/47/28/566654728.db2.gz YSTADKJZHWTYGJ-OAHLLOKOSA-N 0 0 389.209 3.202 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000425566450 566655398 /nfs/dbraw/zinc/65/53/98/566655398.db2.gz QFMJFEAXZNAMIP-BBRMVZONSA-N 0 0 384.307 3.416 10 30 GGEERN Cc1c(NC(=O)CN2CCCCCCC2=O)ccc(Br)c1C#N ZINC000425624041 566659672 /nfs/dbraw/zinc/65/96/72/566659672.db2.gz CXJGLPFJUWQKIT-UHFFFAOYSA-N 0 0 378.270 3.360 10 30 GGEERN Cc1c(NC(=O)C(=O)c2cnn(C(C)(C)C)c2)ccc(Br)c1C#N ZINC000425622907 566660302 /nfs/dbraw/zinc/66/03/02/566660302.db2.gz ARKGJSGNMLJIIT-UHFFFAOYSA-N 0 0 389.253 3.402 10 30 GGEERN CSCc1noc(CCC(=O)Nc2ccc(Br)c(C#N)c2C)n1 ZINC000425626532 566660939 /nfs/dbraw/zinc/66/09/39/566660939.db2.gz HLGZRZZAUNTBBZ-UHFFFAOYSA-N 0 0 395.282 3.447 10 30 GGEERN C[C@H](C(=O)Nc1ccc(Br)c(C(F)(F)F)c1)n1cnc(C#N)n1 ZINC000540601438 566661129 /nfs/dbraw/zinc/66/11/29/566661129.db2.gz GTRKRXPULSPVOB-SSDOTTSWSA-N 0 0 388.147 3.131 10 30 GGEERN CCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000425630636 566661203 /nfs/dbraw/zinc/66/12/03/566661203.db2.gz OHSLJJOPHRDLKI-HNNXBMFYSA-N 0 0 378.270 3.359 10 30 GGEERN CCc1cc(Br)cc2c1N(C(=O)[C@H](C)n1cnc(C#N)n1)CCC2 ZINC000425631893 566661348 /nfs/dbraw/zinc/66/13/48/566661348.db2.gz PZOFBCUNZMLILZ-NSHDSACASA-N 0 0 388.269 3.015 10 30 GGEERN C=CCC1(C(=O)Nc2cccc(C(=O)NC)c2Br)CCOCC1 ZINC000425625986 566661432 /nfs/dbraw/zinc/66/14/32/566661432.db2.gz SRUKKYLZGHPKFB-UHFFFAOYSA-N 0 0 381.270 3.120 10 30 GGEERN Cc1c(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)ccc(Br)c1C#N ZINC000425626175 566661653 /nfs/dbraw/zinc/66/16/53/566661653.db2.gz HAMKDYCXHRTUQW-NSHDSACASA-N 0 0 378.270 3.215 10 30 GGEERN CCOC(=O)c1cnc(N2CCN(c3cccc(Cl)c3C#N)CC2)s1 ZINC000450362754 566661842 /nfs/dbraw/zinc/66/18/42/566661842.db2.gz SNDZMZQHLIIMCO-UHFFFAOYSA-N 0 0 376.869 3.171 10 30 GGEERN Cc1c(C#N)c(Br)ccc1NC(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC000425638177 566662140 /nfs/dbraw/zinc/66/21/40/566662140.db2.gz ZPDVXBGAZCQPES-JTQLQIEISA-N 0 0 390.203 3.452 10 30 GGEERN Cc1c(C#N)c(Br)ccc1NC(=O)CO[C@H](C)c1nccn1C ZINC000425637715 566662366 /nfs/dbraw/zinc/66/23/66/566662366.db2.gz YTZKHMPENNLWKS-LLVKDONJSA-N 0 0 377.242 3.079 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(Br)ccc1OCCOC ZINC000425656619 566663069 /nfs/dbraw/zinc/66/30/69/566663069.db2.gz DSQMKKHOPIOSST-WFASDCNBSA-N 0 0 399.285 3.187 10 30 GGEERN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1ccc(C#N)n1C ZINC000450388558 566665085 /nfs/dbraw/zinc/66/50/85/566665085.db2.gz ILTUAIOQZSTNNA-MEDUHNTESA-N 0 0 376.254 3.165 10 30 GGEERN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1ccc(C#N)n1C ZINC000450388557 566665671 /nfs/dbraw/zinc/66/56/71/566665671.db2.gz ILTUAIOQZSTNNA-BZNIZROVSA-N 0 0 376.254 3.165 10 30 GGEERN N#Cc1cc(Br)cnc1N1CCN(Cc2cccc(F)c2)CC1 ZINC000450394971 566666961 /nfs/dbraw/zinc/66/69/61/566666961.db2.gz SGJMXMAGYCHYHP-UHFFFAOYSA-N 0 0 375.245 3.177 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C(=O)OC)c(Br)cc1C ZINC000425678384 566666908 /nfs/dbraw/zinc/66/69/08/566666908.db2.gz XCVRWTHMWZDTOM-NHYWBVRUSA-N 0 0 397.269 3.257 10 30 GGEERN C=CC[C@H](CO)CNC(=O)Nc1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000540831081 566674452 /nfs/dbraw/zinc/67/44/52/566674452.db2.gz VQGQPGDOJNNOJP-LBPRGKRZSA-N 0 0 383.279 3.216 10 30 GGEERN Cc1c(NC(=O)C(=O)N[C@H](C)CC(F)(F)F)ccc(Br)c1C#N ZINC000425750135 566674825 /nfs/dbraw/zinc/67/48/25/566674825.db2.gz ZALTYKPPONGTBK-SSDOTTSWSA-N 0 0 392.175 3.025 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000425788688 566676843 /nfs/dbraw/zinc/67/68/43/566676843.db2.gz VEVNEXAAGPDWAQ-ZANVPECISA-N 0 0 376.762 3.005 10 30 GGEERN Cc1c(C#N)c(Br)ccc1NC(=O)C(=O)Nc1cnoc1C1CC1 ZINC000425775558 566677300 /nfs/dbraw/zinc/67/73/00/566677300.db2.gz FCRYVXZBIXQRDP-UHFFFAOYSA-N 0 0 389.209 3.072 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000425794957 566677687 /nfs/dbraw/zinc/67/76/87/566677687.db2.gz FDPOKVJFOFOWPU-ZANVPECISA-N 0 0 376.762 3.005 10 30 GGEERN C[C@@H]1[C@H](Nc2ncc(Br)cc2C#N)CC(=O)N1Cc1ccccc1 ZINC000450499570 566677846 /nfs/dbraw/zinc/67/78/46/566677846.db2.gz KRNSZFLTNOMYJU-MLGOLLRUSA-N 0 0 385.265 3.317 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000425798195 566678498 /nfs/dbraw/zinc/67/84/98/566678498.db2.gz YVHCTVTYCIXMKB-ZANVPECISA-N 0 0 376.762 3.005 10 30 GGEERN COCCCOc1ccc(CNc2ncc(Br)cc2C#N)cc1 ZINC000450522584 566681615 /nfs/dbraw/zinc/68/16/15/566681615.db2.gz YJZBHPDZWAVFJA-UHFFFAOYSA-N 0 0 376.254 3.165 10 30 GGEERN COC(=O)[C@]1(c2ccccc2)CCN(c2ncc(Br)cc2C#N)C1 ZINC000450543544 566683210 /nfs/dbraw/zinc/68/32/10/566683210.db2.gz YXUZZLBCGSGOKZ-GOSISDBHSA-N 0 0 386.249 3.037 10 30 GGEERN C=CCOc1c(Br)cc(CN(CC)Cc2cn(C)nn2)cc1OC ZINC000540994700 566686620 /nfs/dbraw/zinc/68/66/20/566686620.db2.gz GMRXLSGABPSPFO-UHFFFAOYSA-N 0 0 395.301 3.173 10 30 GGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000561240471 566687965 /nfs/dbraw/zinc/68/79/65/566687965.db2.gz LRKHZKATVUSZQO-UHFFFAOYSA-N 0 0 381.523 3.148 10 30 GGEERN N#Cc1nccnc1N1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000450602953 566689712 /nfs/dbraw/zinc/68/97/12/566689712.db2.gz FSUDNZHBJWBZPZ-ZDUSSCGKSA-N 0 0 390.228 3.022 10 30 GGEERN Cn1c(C#N)ccc1C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000450601046 566689998 /nfs/dbraw/zinc/68/99/98/566689998.db2.gz OZDJTBAYOMBLAN-UHFFFAOYSA-N 0 0 388.265 3.343 10 30 GGEERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487834797 566691114 /nfs/dbraw/zinc/69/11/14/566691114.db2.gz IZEGPOGJECWWFT-JTQLQIEISA-N 0 0 390.285 3.424 10 30 GGEERN C=CCCn1cc(CNC2(c3cc(Br)ccc3OC)CC2)nn1 ZINC000653775009 566693443 /nfs/dbraw/zinc/69/34/43/566693443.db2.gz IATMRXHJNMOGFL-UHFFFAOYSA-N 0 0 377.286 3.404 10 30 GGEERN CCOCCOc1ccc(Br)cc1NC(=O)c1ccc(C#N)n1C ZINC000450699610 566698202 /nfs/dbraw/zinc/69/82/02/566698202.db2.gz KNNABPKJBBRNJX-UHFFFAOYSA-N 0 0 392.253 3.327 10 30 GGEERN Cc1nn(C)c(C)c1CCNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487961439 566699413 /nfs/dbraw/zinc/69/94/13/566699413.db2.gz WHHAJCJFIBSFRY-UHFFFAOYSA-N 0 0 376.258 3.035 10 30 GGEERN C=CCCCNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000468381102 566699674 /nfs/dbraw/zinc/69/96/74/566699674.db2.gz GLPPHIURDBRZSR-UHFFFAOYSA-N 0 0 379.298 3.384 10 30 GGEERN C=CCN(Cc1cccs1)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000515209955 566699702 /nfs/dbraw/zinc/69/97/02/566699702.db2.gz ZWYDLZWBHGCAFX-CQSZACIVSA-N 0 0 376.503 3.017 10 30 GGEERN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cc(Br)c[nH]2)n1 ZINC000541142405 566699884 /nfs/dbraw/zinc/69/98/84/566699884.db2.gz OELFMNIZRVTEPP-UHFFFAOYSA-N 0 0 390.628 3.162 10 30 GGEERN C=CCN(Cc1nnc(C2CCC2)n1C)S(=O)(=O)c1cccc(Cl)c1 ZINC000541160034 566700272 /nfs/dbraw/zinc/70/02/72/566700272.db2.gz HCRXXQCGUSTZSN-UHFFFAOYSA-N 0 0 380.901 3.113 10 30 GGEERN CO[C@H](CCNC(=O)Nc1ccc(C#N)c(Br)c1)C(F)(F)F ZINC000487964736 566700244 /nfs/dbraw/zinc/70/02/44/566700244.db2.gz CGNWDHBXGRLINB-LLVKDONJSA-N 0 0 380.164 3.410 10 30 GGEERN N#Cc1ccc(NC(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1Br ZINC000488011186 566703015 /nfs/dbraw/zinc/70/30/15/566703015.db2.gz XYNJQKNYMUGUHS-INIZCTEOSA-N 0 0 399.248 3.248 10 30 GGEERN Cc1ccc(C2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)cn1 ZINC000541193452 566703483 /nfs/dbraw/zinc/70/34/83/566703483.db2.gz GJPDOYWAZXGJHL-UHFFFAOYSA-N 0 0 375.881 3.483 10 30 GGEERN N#C[C@H](NC(=O)c1ccc(I)cc1)c1ccc(F)cc1 ZINC000515390843 566709801 /nfs/dbraw/zinc/70/98/01/566709801.db2.gz VQDBENYBLWFSRB-AWEZNQCLSA-N 0 0 380.160 3.425 10 30 GGEERN N#Cc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)o1 ZINC000426450120 566712165 /nfs/dbraw/zinc/71/21/65/566712165.db2.gz KHUOGZFGRHXVIQ-UHFFFAOYSA-N 0 0 375.138 3.463 10 30 GGEERN C[C@@H]1CN(CC(F)(F)F)CCN(c2ncc(Br)cc2C#N)C1 ZINC000450871390 566716033 /nfs/dbraw/zinc/71/60/33/566716033.db2.gz NGESGFJNDAAVDF-SNVBAGLBSA-N 0 0 377.208 3.036 10 30 GGEERN CSC[C@](C)(C#N)NC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl ZINC000580858178 566729567 /nfs/dbraw/zinc/72/95/67/566729567.db2.gz LCBHMWZWXYPLFA-SFHVURJKSA-N 0 0 381.929 3.377 10 30 GGEERN CC(C)OC[C@H]1CN(c2c(C#N)cnc3c(Br)cccc32)CCO1 ZINC000580871965 566730697 /nfs/dbraw/zinc/73/06/97/566730697.db2.gz QIYTVSKKDDPUAM-CQSZACIVSA-N 0 0 390.281 3.499 10 30 GGEERN CN(C)[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1Cl ZINC000515731741 566730957 /nfs/dbraw/zinc/73/09/57/566730957.db2.gz PZFCOTNHFLHWGH-KRWDZBQOSA-N 0 0 398.315 3.446 10 30 GGEERN CCC(=O)Nc1cccc(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000515750870 566731324 /nfs/dbraw/zinc/73/13/24/566731324.db2.gz ZHGAQTYUDHKRDF-UHFFFAOYSA-N 0 0 377.853 3.039 10 30 GGEERN CN(CCOCc1ccc(C#N)cc1)S(=O)(=O)c1cc(Cl)ccc1F ZINC000561722982 566732778 /nfs/dbraw/zinc/73/27/78/566732778.db2.gz JMMBTXXWYPPPOK-UHFFFAOYSA-N 0 0 382.844 3.188 10 30 GGEERN Cc1ccc(CSCCNS(=O)(=O)Cc2ccc(F)cc2C#N)cc1 ZINC000451006737 566733868 /nfs/dbraw/zinc/73/38/68/566733868.db2.gz IEQLMYMPWZBJIV-UHFFFAOYSA-N 0 0 378.494 3.359 10 30 GGEERN C=CCN(CC(F)(F)F)C(=O)c1cnc2ccc(Br)cc2c1O ZINC000541573725 566734997 /nfs/dbraw/zinc/73/49/97/566734997.db2.gz QOBWBGRUEVQCSI-UHFFFAOYSA-N 0 0 389.171 3.481 10 30 GGEERN COc1cccc2c1OCC[C@@H]2NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000608781537 566735953 /nfs/dbraw/zinc/73/59/53/566735953.db2.gz BNQKMRFYHFDFCO-HNNXBMFYSA-N 0 0 378.837 3.022 10 30 GGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCOc2cccc(Br)c2C1 ZINC000654554084 566740848 /nfs/dbraw/zinc/74/08/48/566740848.db2.gz RJBRTZJKDFHJCT-GUYCJALGSA-N 0 0 395.297 3.334 10 30 GGEERN N#Cc1cc(F)c(N2CCCC[C@@H]2CN2CCOCC2)cc1Br ZINC000561880935 566745214 /nfs/dbraw/zinc/74/52/14/566745214.db2.gz YXDHUCVIJXZMLJ-CQSZACIVSA-N 0 0 382.277 3.151 10 30 GGEERN C[C@@H](Cc1cccc(Br)c1)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000488760682 566745915 /nfs/dbraw/zinc/74/59/15/566745915.db2.gz NMPVDCKYIMXJCF-NSHDSACASA-N 0 0 397.269 3.369 10 30 GGEERN COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000516140051 566746672 /nfs/dbraw/zinc/74/66/72/566746672.db2.gz WPRPVRFSZDYREO-KOMQPUFPSA-N 0 0 376.865 3.445 10 30 GGEERN COc1cc(CNS(=O)(=O)c2cc(Br)ccc2C)ccc1C#N ZINC000516119717 566746965 /nfs/dbraw/zinc/74/69/65/566746965.db2.gz QIHDXAUYKRXGAZ-UHFFFAOYSA-N 0 0 395.278 3.116 10 30 GGEERN N#Cc1cc(-c2nc(Cc3cc4c(cc3Br)OCO4)no2)ccn1 ZINC000516114574 566747544 /nfs/dbraw/zinc/74/75/44/566747544.db2.gz LJEWFBJBVASFNH-UHFFFAOYSA-N 0 0 385.177 3.085 10 30 GGEERN C=CCN(C(=O)c1cc(Br)cn1C)c1nc(C(=O)OCC)cs1 ZINC000609097876 566749504 /nfs/dbraw/zinc/74/95/04/566749504.db2.gz MCMVEEDOUPWELS-UHFFFAOYSA-N 0 0 398.282 3.254 10 30 GGEERN C=CC(C)(C)C(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000451083018 566750298 /nfs/dbraw/zinc/75/02/98/566750298.db2.gz NNSVCSCHWOZNFJ-UHFFFAOYSA-N 0 0 385.291 3.255 10 30 GGEERN N#Cc1cc(S(=O)(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)ccc1F ZINC000609134518 566751336 /nfs/dbraw/zinc/75/13/36/566751336.db2.gz JJWTWPYWJXJSPK-ZBFHGGJFSA-N 0 0 395.253 3.294 10 30 GGEERN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C[C@@H](C)C#N)C1CC1 ZINC000468999608 566751877 /nfs/dbraw/zinc/75/18/77/566751877.db2.gz MWJKWOHJKGUFEJ-QWHCGFSZSA-N 0 0 386.901 3.066 10 30 GGEERN Cc1nc2sccn2c1CN(C)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000609158117 566752095 /nfs/dbraw/zinc/75/20/95/566752095.db2.gz UVXJVLPAAVEDRB-UHFFFAOYSA-N 0 0 380.882 3.050 10 30 GGEERN C=CCN(C(=O)c1cc2cccc(Cl)c2nc1C)[C@H]1CCS(=O)(=O)C1 ZINC000630797189 566752579 /nfs/dbraw/zinc/75/25/79/566752579.db2.gz UBUWNVMGBLVVJQ-AWEZNQCLSA-N 0 0 378.881 3.012 10 30 GGEERN CCC(CC)CN(CCC#N)S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000609198935 566754478 /nfs/dbraw/zinc/75/44/78/566754478.db2.gz XJNKFIUEVYLFSZ-UHFFFAOYSA-N 0 0 386.901 3.467 10 30 GGEERN CN(CCCOc1cccc(Cl)c1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000488916540 566757047 /nfs/dbraw/zinc/75/70/47/566757047.db2.gz QWPIZSSRFGHBLM-UHFFFAOYSA-N 0 0 382.844 3.440 10 30 GGEERN C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCOC(C)(C)[C@@H]1C ZINC000562035068 566759279 /nfs/dbraw/zinc/75/92/79/566759279.db2.gz GSXFMDWZHFGQOR-LBPRGKRZSA-N 0 0 394.317 3.236 10 30 GGEERN Cc1ncc(S(=O)(=O)Nc2cc(F)c(F)cc2Br)cc1C#N ZINC000427234640 566759719 /nfs/dbraw/zinc/75/97/19/566759719.db2.gz NZKYRYIDHCKBPL-UHFFFAOYSA-N 0 0 388.193 3.103 10 30 GGEERN C=CCN(Cc1cc(Br)ccc1F)C(=O)C1CCN(OC)CC1 ZINC000630871342 566760025 /nfs/dbraw/zinc/76/00/25/566760025.db2.gz FZTIGUFIZPRVNM-UHFFFAOYSA-N 0 0 385.277 3.376 10 30 GGEERN COc1cc(CNS(=O)(=O)c2ccc(Br)cc2C)ccc1C#N ZINC000562068344 566762736 /nfs/dbraw/zinc/76/27/36/566762736.db2.gz HBDRLWOBBQXZGV-UHFFFAOYSA-N 0 0 395.278 3.116 10 30 GGEERN C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCc1ccc(Cl)o1 ZINC000609400274 566763331 /nfs/dbraw/zinc/76/33/31/566763331.db2.gz WBQAAMWMJYTJJW-LLVKDONJSA-N 0 0 377.853 3.440 10 30 GGEERN CC(C)[C@@H](C#N)N1CCN(C(=O)C(C)(C)c2cccc(Br)c2)CC1 ZINC000609458778 566765172 /nfs/dbraw/zinc/76/51/72/566765172.db2.gz YDCCUAIVSPXYKD-QGZVFWFLSA-N 0 0 392.341 3.419 10 30 GGEERN N#Cc1cccc(-c2nnc(CN[C@@H](CO)c3cccc(Br)c3)o2)c1 ZINC000541983375 566766024 /nfs/dbraw/zinc/76/60/24/566766024.db2.gz JCXXYTGEVPAFSM-INIZCTEOSA-N 0 0 399.248 3.194 10 30 GGEERN COCCN(Cc1sccc1Br)C(=O)c1ccc(C#N)n1C ZINC000451153490 566766297 /nfs/dbraw/zinc/76/62/97/566766297.db2.gz FNXLRROMUYBDPZ-UHFFFAOYSA-N 0 0 382.283 3.010 10 30 GGEERN C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[C@@H](C)S1 ZINC000542032668 566769903 /nfs/dbraw/zinc/76/99/03/566769903.db2.gz MAXUIMMJUPFXIO-VXGBXAGGSA-N 0 0 375.885 3.177 10 30 GGEERN CSC[C@H]1CCCN1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000542032746 566770212 /nfs/dbraw/zinc/77/02/12/566770212.db2.gz QTPCQWLKVVBWEG-CQSZACIVSA-N 0 0 375.885 3.179 10 30 GGEERN N#C[C@H](NC(=O)C[C@@H]1C(=O)Nc2ccccc21)c1ccc(Br)cc1 ZINC000609588602 566771176 /nfs/dbraw/zinc/77/11/76/566771176.db2.gz DJDIBAXDVLMVMQ-HOCLYGCPSA-N 0 0 384.233 3.256 10 30 GGEERN CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000609588846 566771259 /nfs/dbraw/zinc/77/12/59/566771259.db2.gz PUONUMUCTKBALX-AEFFLSMTSA-N 0 0 398.260 3.108 10 30 GGEERN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CSCc2cscn2)n1 ZINC000542051587 566771875 /nfs/dbraw/zinc/77/18/75/566771875.db2.gz KOWKCHSHWKHREA-UHFFFAOYSA-N 0 0 389.893 3.148 10 30 GGEERN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C#N)c1ccccc1Br ZINC000609590021 566772728 /nfs/dbraw/zinc/77/27/28/566772728.db2.gz AILZKKLMXQXWER-WBMJQRKESA-N 0 0 384.233 3.469 10 30 GGEERN N#C[C@H](NC(=O)c1cc(=O)c2ccccc2[nH]1)c1ccccc1Br ZINC000609592249 566774427 /nfs/dbraw/zinc/77/44/27/566774427.db2.gz WXXPKHICNBRCGE-INIZCTEOSA-N 0 0 382.217 3.285 10 30 GGEERN Cc1ncc(S(=O)(=O)N2CCc3c(Cl)c(Cl)ccc3C2)cc1C#N ZINC000489182919 566774517 /nfs/dbraw/zinc/77/45/17/566774517.db2.gz LIGATDYPSHSXEX-UHFFFAOYSA-N 0 0 382.272 3.316 10 30 GGEERN CN(CC(=O)N[C@@H](C#N)c1ccccc1Br)c1ccc(Cl)cn1 ZINC000609594056 566775783 /nfs/dbraw/zinc/77/57/83/566775783.db2.gz SWVMUSFKKIDCNW-AWEZNQCLSA-N 0 0 393.672 3.315 10 30 GGEERN CN(CC(=O)N[C@H](C#N)c1ccccc1Br)c1ccc(Cl)cn1 ZINC000609594057 566775959 /nfs/dbraw/zinc/77/59/59/566775959.db2.gz SWVMUSFKKIDCNW-CQSZACIVSA-N 0 0 393.672 3.315 10 30 GGEERN NS(=O)(=O)c1cccc(F)c1N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000631070410 566776460 /nfs/dbraw/zinc/77/64/60/566776460.db2.gz WXDNJHFOHMUUMJ-YUMQZZPRSA-N 0 0 394.312 3.040 10 30 GGEERN C=CCOc1cccnc1C(=O)N(CCO)Cc1cc(Br)cs1 ZINC000427533957 566776407 /nfs/dbraw/zinc/77/64/07/566776407.db2.gz MQGJGIWUXXDILH-UHFFFAOYSA-N 0 0 397.294 3.105 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)N(CCO)Cc1cc(Br)cs1 ZINC000427536477 566777114 /nfs/dbraw/zinc/77/71/14/566777114.db2.gz JIDFWJVDQBYNOH-UHFFFAOYSA-N 0 0 379.279 3.325 10 30 GGEERN Cc1cc(Br)cc(C)c1CNS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000489247511 566777080 /nfs/dbraw/zinc/77/70/80/566777080.db2.gz JBIFGRBJJICGNU-UHFFFAOYSA-N 0 0 394.294 3.120 10 30 GGEERN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccc(C#N)nc1 ZINC000609647689 566778163 /nfs/dbraw/zinc/77/81/63/566778163.db2.gz LGKMWVNFCVFQEZ-OAHLLOKOSA-N 0 0 378.215 3.246 10 30 GGEERN N#Cc1ccc(C(=O)NC2(c3ccc(Br)cc3)CCOCC2)cn1 ZINC000609642772 566778499 /nfs/dbraw/zinc/77/84/99/566778499.db2.gz MVEOFOWKCKGETM-UHFFFAOYSA-N 0 0 386.249 3.151 10 30 GGEERN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccc(C#N)nc1 ZINC000609647688 566779167 /nfs/dbraw/zinc/77/91/67/566779167.db2.gz LGKMWVNFCVFQEZ-HNNXBMFYSA-N 0 0 378.215 3.246 10 30 GGEERN C=C(C)[C@@H](CC(=O)N(CCO)Cc1cc(Br)cs1)OCC ZINC000427586536 566780974 /nfs/dbraw/zinc/78/09/74/566780974.db2.gz KUYVOPSSSRYRBJ-CQSZACIVSA-N 0 0 376.316 3.203 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000581485132 566781202 /nfs/dbraw/zinc/78/12/02/566781202.db2.gz UTIGUCCHHVAWNY-XIRDDKMYSA-N 0 0 395.297 3.123 10 30 GGEERN C=C[C@@](C)(CCOC)C(=O)N(CCO)Cc1cc(Br)cs1 ZINC000427594534 566782558 /nfs/dbraw/zinc/78/25/58/566782558.db2.gz YHTOVBBRHQIMMK-HNNXBMFYSA-N 0 0 376.316 3.060 10 30 GGEERN CO[C@H](CCNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000469335528 566783224 /nfs/dbraw/zinc/78/32/24/566783224.db2.gz PYPAILUMXMRQES-SNVBAGLBSA-N 0 0 383.285 3.090 10 30 GGEERN C=CCOc1ccc(Br)cc1NCc1cn(C[C@@H]2CCOC2)nn1 ZINC000631156765 566787755 /nfs/dbraw/zinc/78/77/55/566787755.db2.gz CRHSRVPUCMCFIL-ZDUSSCGKSA-N 0 0 393.285 3.254 10 30 GGEERN COCCN(Cc1ccc(Br)s1)C(=O)c1ccc(C#N)nc1 ZINC000427743074 566792571 /nfs/dbraw/zinc/79/25/71/566792571.db2.gz STEOKZGQOVIUKC-UHFFFAOYSA-N 0 0 380.267 3.066 10 30 GGEERN N#Cc1cc(F)ccc1CS(=O)(=O)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000451306481 566793074 /nfs/dbraw/zinc/79/30/74/566793074.db2.gz SBRHPDFPZKYICX-SMDDNHRTSA-N 0 0 378.391 3.485 10 30 GGEERN Cc1ncc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)cc1C#N ZINC000489509724 566793291 /nfs/dbraw/zinc/79/32/91/566793291.db2.gz FYHXOXOKSIABTL-AWEZNQCLSA-N 0 0 389.786 3.497 10 30 GGEERN C[C@H]1Cc2cc(S(=O)(=O)NCc3ccc(C#N)cc3F)cc(Cl)c2O1 ZINC000609897656 566793503 /nfs/dbraw/zinc/79/35/03/566793503.db2.gz NGVMPMYDYZCZOR-JTQLQIEISA-N 0 0 380.828 3.153 10 30 GGEERN CC[C@H](NS(=O)(=O)c1cnc(C)c(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000489521200 566793362 /nfs/dbraw/zinc/79/33/62/566793362.db2.gz XDGWECQJLBYFPZ-NSHDSACASA-N 0 0 390.412 3.167 10 30 GGEERN CC[C@@H](NS(=O)(=O)c1cnc(C)c(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000489521198 566793666 /nfs/dbraw/zinc/79/36/66/566793666.db2.gz XDGWECQJLBYFPZ-LLVKDONJSA-N 0 0 390.412 3.167 10 30 GGEERN N#C[C@H](NC(=O)c1cccc(-n2cccn2)n1)c1ccc(Br)cc1 ZINC000609910579 566794757 /nfs/dbraw/zinc/79/47/57/566794757.db2.gz CMKWWSPYNUHACB-HNNXBMFYSA-N 0 0 382.221 3.024 10 30 GGEERN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000609899159 566794871 /nfs/dbraw/zinc/79/48/71/566794871.db2.gz DETUDAXGLLESLG-APPDUMDISA-N 0 0 382.844 3.405 10 30 GGEERN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000609899160 566795044 /nfs/dbraw/zinc/79/50/44/566795044.db2.gz DETUDAXGLLESLG-DIFFPNOSSA-N 0 0 382.844 3.405 10 30 GGEERN N#Cc1cc(N2CCC[C@H]2c2ccc(I)cc2)ncn1 ZINC000581644988 566796395 /nfs/dbraw/zinc/79/63/95/566796395.db2.gz NJBMDCQFHNYQGL-AWEZNQCLSA-N 0 0 376.201 3.294 10 30 GGEERN C=CCc1ccc(OCC(=O)Nc2ccnc(C)c2Br)c(OC)c1 ZINC000562492735 566796382 /nfs/dbraw/zinc/79/63/82/566796382.db2.gz YZSABJDQKNRVBW-UHFFFAOYSA-N 0 0 391.265 3.329 10 30 GGEERN C=CCCCS(=O)(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 ZINC000489586160 566797595 /nfs/dbraw/zinc/79/75/95/566797595.db2.gz NUFFPZMFQCYWDR-LBPRGKRZSA-N 0 0 397.850 3.218 10 30 GGEERN N#CCC1(CS(=O)(=O)N2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000562542694 566799185 /nfs/dbraw/zinc/79/91/85/566799185.db2.gz QOYXHGQJDRNOCS-HNNXBMFYSA-N 0 0 378.885 3.377 10 30 GGEERN Cc1ccc(N(C)S(=O)(=O)c2cnc(C)c(C#N)c2)cc1Br ZINC000489638494 566799641 /nfs/dbraw/zinc/79/96/41/566799641.db2.gz WKXNHCFNDVEDIG-UHFFFAOYSA-N 0 0 380.267 3.158 10 30 GGEERN CCCCSCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000610048412 566800448 /nfs/dbraw/zinc/80/04/48/566800448.db2.gz ZMIPZJGYNYAJQO-INIZCTEOSA-N 0 0 377.535 3.322 10 30 GGEERN Cc1ncc(S(=O)(=O)NCC2(c3ccc(F)cc3Cl)CC2)cc1C#N ZINC000489683682 566802751 /nfs/dbraw/zinc/80/27/51/566802751.db2.gz RNOHAVQOXOFRMQ-UHFFFAOYSA-N 0 0 379.844 3.064 10 30 GGEERN Cc1ncc(S(=O)(=O)N[C@H]2CCCOc3cc(Cl)ccc32)cc1C#N ZINC000489685472 566803591 /nfs/dbraw/zinc/80/35/91/566803591.db2.gz AAYMOGMJFYEEDW-INIZCTEOSA-N 0 0 377.853 3.107 10 30 GGEERN N#Cc1csc(CN2CCO[C@@H](c3ccc(F)c(Br)c3)C2)n1 ZINC000562576594 566804207 /nfs/dbraw/zinc/80/42/07/566804207.db2.gz NKHUPKGCFVUQHW-CQSZACIVSA-N 0 0 382.258 3.490 10 30 GGEERN N#C[C@H](NC(=O)[C@H]1Cc2cc(F)ccc2O1)c1ccc(Br)cc1 ZINC000610124555 566807478 /nfs/dbraw/zinc/80/74/78/566807478.db2.gz UKLQTHIPEJWJAQ-GOEBONIOSA-N 0 0 375.197 3.273 10 30 GGEERN C[C@H](C#N)CN(C(=O)CCOc1ccccc1I)C1CC1 ZINC000469691157 566808127 /nfs/dbraw/zinc/80/81/27/566808127.db2.gz QEMWZDBIIWQKGM-GFCCVEGCSA-N 0 0 398.244 3.211 10 30 GGEERN C[C@@]1(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)OCCc2sccc21 ZINC000517204556 566810709 /nfs/dbraw/zinc/81/07/09/566810709.db2.gz BCPCQVPCRCTNOK-INIZCTEOSA-N 0 0 382.894 3.040 10 30 GGEERN C=C[C@H]1CCCCN1C(=O)c1n[nH]c2ccc(I)cc21 ZINC000428033465 566811880 /nfs/dbraw/zinc/81/18/80/566811880.db2.gz AKTSSSGWDWKOEU-NSHDSACASA-N 0 0 381.217 3.348 10 30 GGEERN Cc1ncc(S(=O)(=O)N[C@@H](C)c2ccc(Br)cc2F)cc1C#N ZINC000489833725 566812609 /nfs/dbraw/zinc/81/26/09/566812609.db2.gz DCUBPENIGBYAFH-JTQLQIEISA-N 0 0 398.257 3.203 10 30 GGEERN C[C@@]12CCN(C(=O)COc3ccc(C#N)c(Br)c3)C[C@@H]1C2(F)F ZINC000517217153 566812936 /nfs/dbraw/zinc/81/29/36/566812936.db2.gz LEPVAIWUACJRNJ-DZGCQCFKSA-N 0 0 385.208 3.203 10 30 GGEERN O=S(=O)(NCC1(C(F)(F)F)CC1)c1cccc(OC(F)(F)F)c1F ZINC000489860910 566814597 /nfs/dbraw/zinc/81/45/97/566814597.db2.gz NPKRBPODNWRHQC-UHFFFAOYSA-N 0 0 381.269 3.345 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)Cc1cccc(Br)c1C ZINC000655582522 566816312 /nfs/dbraw/zinc/81/63/12/566816312.db2.gz XYDGDCYSQWABBP-XJKSGUPXSA-N 0 0 388.327 3.158 10 30 GGEERN CCO[C@@H]1C[C@@H](Nc2cc(Br)c(C#N)cc2F)[C@H]1n1cccn1 ZINC000581953853 566817170 /nfs/dbraw/zinc/81/71/70/566817170.db2.gz AMHDINHZKJOPTB-BZUAXINKSA-N 0 0 379.233 3.487 10 30 GGEERN COc1cc(Br)ccc1[C@@H](C)NS(=O)(=O)CC(C)(C)CC#N ZINC000451449017 566819940 /nfs/dbraw/zinc/81/99/40/566819940.db2.gz WUCFZKMAVWHYRS-LLVKDONJSA-N 0 0 389.315 3.378 10 30 GGEERN COc1cc(Br)ccc1[C@H](C)NS(=O)(=O)CC(C)(C)CC#N ZINC000451449025 566819985 /nfs/dbraw/zinc/81/99/85/566819985.db2.gz WUCFZKMAVWHYRS-NSHDSACASA-N 0 0 389.315 3.378 10 30 GGEERN COc1ccc2c(c1)OCC[C@@H]2NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000610265632 566820869 /nfs/dbraw/zinc/82/08/69/566820869.db2.gz GMLGVJUMJIVCBY-INIZCTEOSA-N 0 0 378.837 3.022 10 30 GGEERN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC2CC1(C(F)(F)F)C2 ZINC000562783172 566822093 /nfs/dbraw/zinc/82/20/93/566822093.db2.gz DHOMEMPQYFWFFL-UHFFFAOYSA-N 0 0 384.301 3.292 10 30 GGEERN N#Cc1cc(Cl)cc(Br)c1N1CCN(C[C@H]2CCOC2)CC1 ZINC000562777912 566822536 /nfs/dbraw/zinc/82/25/36/566822536.db2.gz AWONFCHGVBVZOX-GFCCVEGCSA-N 0 0 384.705 3.133 10 30 GGEERN CN(C1(C)CCCC1)S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451476256 566825494 /nfs/dbraw/zinc/82/54/94/566825494.db2.gz ULLYOOBCFWCGKD-UHFFFAOYSA-N 0 0 375.263 3.413 10 30 GGEERN O=S(=O)(C[C@@H]1CCC1(F)F)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000631786020 566825997 /nfs/dbraw/zinc/82/59/97/566825997.db2.gz URENIVAMCAFWJO-XHNCKOQMSA-N 0 0 389.308 3.424 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000582058060 566827285 /nfs/dbraw/zinc/82/72/85/566827285.db2.gz NWHFFQYOOXPDEP-STQMWFEESA-N 0 0 376.254 3.160 10 30 GGEERN C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC#Cc2ccccc2)C1=O ZINC000517459613 566827800 /nfs/dbraw/zinc/82/78/00/566827800.db2.gz FSWCTYJRTQQUQW-LJQANCHMSA-N 0 0 383.245 3.268 10 30 GGEERN CCNc1ccc(C#N)cc1NC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000469940850 566829595 /nfs/dbraw/zinc/82/95/95/566829595.db2.gz BTVXHGASHLFCBC-UHFFFAOYSA-N 0 0 377.853 3.056 10 30 GGEERN N#C[C@@H](NC(=O)Cc1ccc(I)cc1)c1ccc(F)cc1 ZINC000490108430 566832442 /nfs/dbraw/zinc/83/24/42/566832442.db2.gz YUVDGXDZZXANSH-OAHLLOKOSA-N 0 0 394.187 3.354 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NC[C@H]2CC23CCSCC3)cc1C(F)(F)F ZINC000562929420 566835491 /nfs/dbraw/zinc/83/54/91/566835491.db2.gz DXVGPCPDMJDHFG-GFCCVEGCSA-N 0 0 390.452 3.389 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000582176838 566836558 /nfs/dbraw/zinc/83/65/58/566836558.db2.gz NSJBKGWKJFJWJE-GHJWDPDVSA-N 0 0 383.275 3.054 10 30 GGEERN N#Cc1ccc(-n2ccc(NC(=O)c3coc(Br)c3)n2)c(Cl)c1 ZINC000542972495 566843694 /nfs/dbraw/zinc/84/36/94/566843694.db2.gz RMIMWWCWILAJHW-UHFFFAOYSA-N 0 0 391.612 3.427 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NC2(c3ccc(OC(F)(F)F)cc3)CC2)s1 ZINC000451627629 566852785 /nfs/dbraw/zinc/85/27/85/566852785.db2.gz YOBMGFCCOHDQMK-UHFFFAOYSA-N 0 0 388.392 3.486 10 30 GGEERN COC(=O)[C@@H](Sc1nc(N)c(C#N)cc1C#N)c1c(F)cccc1Cl ZINC000543142273 566855496 /nfs/dbraw/zinc/85/54/96/566855496.db2.gz KJFZUDNCLYYOIG-ZDUSSCGKSA-N 0 0 376.800 3.036 10 30 GGEERN CC(C)(NS(=O)(=O)CC1(C#N)CCCCC1)c1cc(C(F)(F)F)on1 ZINC000490474163 566856889 /nfs/dbraw/zinc/85/68/89/566856889.db2.gz ZQHIYWOTRTYBLN-UHFFFAOYSA-N 0 0 379.404 3.322 10 30 GGEERN C=CCN(CCc1ccco1)S(=O)(=O)Cc1ncsc1Br ZINC000632188161 566857764 /nfs/dbraw/zinc/85/77/64/566857764.db2.gz LBYBDIGEVZGYHN-UHFFFAOYSA-N 0 0 391.312 3.059 10 30 GGEERN CN(Cc1ccc(F)cc1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000517972256 566857944 /nfs/dbraw/zinc/85/79/44/566857944.db2.gz MAAHEPPMJOPHBE-UHFFFAOYSA-N 0 0 383.242 3.281 10 30 GGEERN C=CCOCCNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC000679493884 566860003 /nfs/dbraw/zinc/86/00/03/566860003.db2.gz IIAODXSRYJPCKX-MRXNPFEDSA-N 0 0 387.307 3.457 10 30 GGEERN C=CCOCCNC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000679504191 566860117 /nfs/dbraw/zinc/86/01/17/566860117.db2.gz SWUVYXGORDERPO-OAHLLOKOSA-N 0 0 377.243 3.418 10 30 GGEERN C=CCOCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC ZINC000679492917 566860332 /nfs/dbraw/zinc/86/03/32/566860332.db2.gz XEEVWAFRCVYLKT-UHFFFAOYSA-N 0 0 380.901 3.029 10 30 GGEERN C=CCOCCNC(=O)c1c(C)nn(Cc2cccc(Br)c2)c1C ZINC000679518189 566860490 /nfs/dbraw/zinc/86/04/90/566860490.db2.gz QRALYVDMNWGEOS-UHFFFAOYSA-N 0 0 392.297 3.243 10 30 GGEERN CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000518039607 566860899 /nfs/dbraw/zinc/86/08/99/566860899.db2.gz TYNBDKMLHOXPMU-BXUZGUMPSA-N 0 0 377.535 3.385 10 30 GGEERN C=CCOCCNC(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000679630897 566864557 /nfs/dbraw/zinc/86/45/57/566864557.db2.gz YYISVXXGMVAFLU-HNNXBMFYSA-N 0 0 386.279 3.309 10 30 GGEERN C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1S(=O)(=O)CC1(C#N)CCC1 ZINC000490608015 566868647 /nfs/dbraw/zinc/86/86/47/566868647.db2.gz QNWIXZRESZUFDR-ZDUSSCGKSA-N 0 0 385.892 3.013 10 30 GGEERN C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1S(=O)(=O)CC1(C#N)CCC1 ZINC000490608014 566869170 /nfs/dbraw/zinc/86/91/70/566869170.db2.gz QNWIXZRESZUFDR-CYBMUJFWSA-N 0 0 385.892 3.013 10 30 GGEERN N#Cc1c(Br)cccc1OCC(=O)NCC1(C(F)(F)F)CC1 ZINC000451727716 566871218 /nfs/dbraw/zinc/87/12/18/566871218.db2.gz REFMUEYJNDSZHU-UHFFFAOYSA-N 0 0 377.160 3.158 10 30 GGEERN C=CCCn1cc(CNc2cc(Br)ccc2OCCOC)nn1 ZINC000656118073 566871766 /nfs/dbraw/zinc/87/17/66/566871766.db2.gz BTKLGPZAGWFXLS-UHFFFAOYSA-N 0 0 381.274 3.254 10 30 GGEERN N#CC[C@@H]1CC[C@H](NS(=O)(=O)c2cc(Br)cc3cccnc32)C1 ZINC000451738569 566872054 /nfs/dbraw/zinc/87/20/54/566872054.db2.gz SXMBQXSWXFRQEL-FZMZJTMJSA-N 0 0 394.294 3.358 10 30 GGEERN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000451737651 566872291 /nfs/dbraw/zinc/87/22/91/566872291.db2.gz QNNIEIHLHOVTEI-YDHLFZDLSA-N 0 0 386.901 3.114 10 30 GGEERN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000451737650 566872648 /nfs/dbraw/zinc/87/26/48/566872648.db2.gz QNNIEIHLHOVTEI-IPYPFGDCSA-N 0 0 386.901 3.114 10 30 GGEERN COC(=O)c1ccc(C(=O)N[C@H](C#N)c2cccc(Br)c2)cc1F ZINC000610883148 566872922 /nfs/dbraw/zinc/87/29/22/566872922.db2.gz IDDJDUWQYBNUDV-OAHLLOKOSA-N 0 0 391.196 3.369 10 30 GGEERN N#Cc1ccc(NC(=O)[C@H]2CCCN2c2nccs2)cc1Br ZINC000518251762 566873119 /nfs/dbraw/zinc/87/31/19/566873119.db2.gz XJPHXDJWUNSPLU-CYBMUJFWSA-N 0 0 377.267 3.385 10 30 GGEERN Cc1sc(NC(=O)CN[C@@H](C)c2ncc(Br)cn2)c(C#N)c1C ZINC000582583395 566877689 /nfs/dbraw/zinc/87/76/89/566877689.db2.gz ICVAMWDJDFGLOT-VIFPVBQESA-N 0 0 394.298 3.078 10 30 GGEERN N#Cc1cc(CSCc2nnnn2-c2ccccc2Br)ccn1 ZINC000610954577 566877780 /nfs/dbraw/zinc/87/77/80/566877780.db2.gz YVGNSWBVMKRJEB-UHFFFAOYSA-N 0 0 387.266 3.125 10 30 GGEERN N#Cc1cc(CN2CCN(Cc3ccc(Br)c(F)c3)CC2)ccn1 ZINC000610993936 566879750 /nfs/dbraw/zinc/87/97/50/566879750.db2.gz IDXSYAOWNBXHQR-UHFFFAOYSA-N 0 0 389.272 3.173 10 30 GGEERN C[C@@H]1Cc2cc(S(=O)(=O)NCc3ccc(CC#N)cc3)cc(Cl)c2O1 ZINC000518369040 566879840 /nfs/dbraw/zinc/87/98/40/566879840.db2.gz WJAQAZUWDLWUTC-GFCCVEGCSA-N 0 0 376.865 3.208 10 30 GGEERN C=CCCn1cc(CS(=O)(=O)Cc2ccc(Br)cc2C)nn1 ZINC000656174979 566879922 /nfs/dbraw/zinc/87/99/22/566879922.db2.gz ATQWKJKKCDGANC-UHFFFAOYSA-N 0 0 384.299 3.040 10 30 GGEERN CC[C@@H](NS(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1)[C@@H](O)C(F)F ZINC000632391130 566881626 /nfs/dbraw/zinc/88/16/26/566881626.db2.gz SZFMXLJMGYEPOT-NXEZZACHSA-N 0 0 397.312 3.024 10 30 GGEERN C=CCCCCCNS(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 ZINC000563417599 566881950 /nfs/dbraw/zinc/88/19/50/566881950.db2.gz RPEFJJMUVFUBAI-UHFFFAOYSA-N 0 0 389.315 3.432 10 30 GGEERN N#Cc1cc(Cl)c(C(=O)NCCS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000611096740 566888734 /nfs/dbraw/zinc/88/87/34/566888734.db2.gz BNXQENCMWBYIGZ-UHFFFAOYSA-N 0 0 383.256 3.069 10 30 GGEERN N#C[C@H](NC(=O)c1csc(I)c1)c1ccc(F)cc1 ZINC000518597013 566894108 /nfs/dbraw/zinc/89/41/08/566894108.db2.gz YFPWBAHTPOKIBW-NSHDSACASA-N 0 0 386.189 3.486 10 30 GGEERN Cc1cc(Br)c(S(=O)(=O)NC(C)(C)C#N)c(Br)c1 ZINC000543637624 566895330 /nfs/dbraw/zinc/89/53/30/566895330.db2.gz GZVPSFGINKAIJD-UHFFFAOYSA-N 0 0 396.104 3.101 10 30 GGEERN CC(C)(CNc1c(C#N)cnc2c(Cl)cccc21)N1CCS(=O)CC1 ZINC000582961360 566908517 /nfs/dbraw/zinc/90/85/17/566908517.db2.gz BIHNNEGDBQYAMU-UHFFFAOYSA-N 0 0 376.913 3.015 10 30 GGEERN CC(C)[C@@H](C#N)N1CCN(C(=O)c2c[nH]c3cccc(Br)c23)CC1 ZINC000611341658 566910569 /nfs/dbraw/zinc/91/05/69/566910569.db2.gz SCUBRWKCBDHRNI-MRXNPFEDSA-N 0 0 389.297 3.236 10 30 GGEERN Cc1ccc(F)cc1C(=O)C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000543798183 566911316 /nfs/dbraw/zinc/91/13/16/566911316.db2.gz ZYRWIONMTFTJBT-OAHLLOKOSA-N 0 0 375.197 3.460 10 30 GGEERN N#Cc1ccc(C[C@@H](C#N)C(=O)NCCc2ccccc2Br)cc1 ZINC000470895498 566913180 /nfs/dbraw/zinc/91/31/80/566913180.db2.gz XDBDNTFNZQAWFU-KRWDZBQOSA-N 0 0 382.261 3.362 10 30 GGEERN CCN(CCCNc1c(Br)cc(Cl)cc1C#N)S(C)(=O)=O ZINC000429202772 566913287 /nfs/dbraw/zinc/91/32/87/566913287.db2.gz GIBDLLPDYIVLPI-UHFFFAOYSA-N 0 0 394.722 3.058 10 30 GGEERN N#Cc1cccc(N2CCN(c3ncc(Br)cc3Cl)CC2)n1 ZINC000491713491 566914585 /nfs/dbraw/zinc/91/45/85/566914585.db2.gz ABEPAAXQJGRXTC-UHFFFAOYSA-N 0 0 378.661 3.091 10 30 GGEERN CSCC[C@H](C)N(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000543887333 566920300 /nfs/dbraw/zinc/92/03/00/566920300.db2.gz NORMEOJSQXHMIX-LBPRGKRZSA-N 0 0 377.901 3.425 10 30 GGEERN N#C[C@@H](NC(=O)c1cc(-n2ccnc2)ccn1)c1ccccc1Br ZINC000611514425 566923359 /nfs/dbraw/zinc/92/33/59/566923359.db2.gz WTNRPHOIURBWLP-MRXNPFEDSA-N 0 0 382.221 3.024 10 30 GGEERN N#Cc1ccc(Br)c(Cn2cc(C(N)=O)c(-c3ccccc3)n2)c1 ZINC000492125891 566925092 /nfs/dbraw/zinc/92/50/92/566925092.db2.gz BZLGHLVVEIEVBL-UHFFFAOYSA-N 0 0 381.233 3.331 10 30 GGEERN C=CCOCCNC(=O)Nc1ccc(Cl)cc1I ZINC000611557859 566926520 /nfs/dbraw/zinc/92/65/20/566926520.db2.gz WRSRMNJCHXUMFE-UHFFFAOYSA-N 0 0 380.613 3.269 10 30 GGEERN Cc1cc(Br)cc(C)c1NC(=O)CCCN1CCO[C@@H](C#N)C1 ZINC000611660602 566932179 /nfs/dbraw/zinc/93/21/79/566932179.db2.gz DSWPQOABTUAUKV-HNNXBMFYSA-N 0 0 380.286 3.009 10 30 GGEERN COC[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000452091759 566933210 /nfs/dbraw/zinc/93/32/10/566933210.db2.gz WDEHGJPYNZEEBA-LBPRGKRZSA-N 0 0 376.400 3.014 10 30 GGEERN CCN(CC)C(=O)C1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000492661033 566935103 /nfs/dbraw/zinc/93/51/03/566935103.db2.gz ZTVDZOWCYLDNTI-UHFFFAOYSA-N 0 0 378.314 3.401 10 30 GGEERN N#Cc1cccc(NC(=O)N(CCO)Cc2cc(Br)cs2)c1 ZINC000493006043 566941078 /nfs/dbraw/zinc/94/10/78/566941078.db2.gz UNRVUXLAWXODOD-UHFFFAOYSA-N 0 0 380.267 3.409 10 30 GGEERN Cn1cc(C#N)cc1-c1nc(-c2ccc(I)cc2)no1 ZINC000544177421 566946884 /nfs/dbraw/zinc/94/68/84/566946884.db2.gz LGJJNMZAGVWYKQ-UHFFFAOYSA-N 0 0 376.157 3.218 10 30 GGEERN N#C[C@@H](NC(=O)Cc1cccc(I)c1)c1ccc(F)cc1 ZINC000471400487 566950432 /nfs/dbraw/zinc/95/04/32/566950432.db2.gz ZPWIZDVKUZXPPV-OAHLLOKOSA-N 0 0 394.187 3.354 10 30 GGEERN Cc1c(Cl)cnc(N2CCN(c3ccc(Br)cn3)CC2)c1C#N ZINC000612070401 566951842 /nfs/dbraw/zinc/95/18/42/566951842.db2.gz FBWSIHPCBUVELW-UHFFFAOYSA-N 0 0 392.688 3.399 10 30 GGEERN C=C1CC(C)(C(=O)NC[C@@H](CO)Cc2ccc(OC)c(Br)c2)C1 ZINC000633339002 566952018 /nfs/dbraw/zinc/95/20/18/566952018.db2.gz VNTNKCYLDOFZBI-AWEZNQCLSA-N 0 0 382.298 3.081 10 30 GGEERN Cc1ccc(CN(C)S(=O)(=O)c2cc(Br)c(C#N)cc2F)o1 ZINC000564262767 566960447 /nfs/dbraw/zinc/96/04/47/566960447.db2.gz UXOGCVKYOKTNCL-UHFFFAOYSA-N 0 0 387.230 3.182 10 30 GGEERN CCn1cc(Br)c(=O)c(NC(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000544416499 566963183 /nfs/dbraw/zinc/96/31/83/566963183.db2.gz YTILMRMOOVAUFU-UHFFFAOYSA-N 0 0 380.629 3.408 10 30 GGEERN O=S(=O)(NCc1c(F)cc(F)c(F)c1F)c1ccc(C(F)(F)F)nc1 ZINC000429914424 566966266 /nfs/dbraw/zinc/96/62/66/566966266.db2.gz PXVBYECQMHBFAU-UHFFFAOYSA-N 0 0 388.264 3.135 10 30 GGEERN N#C[C@@H](NC(=O)[C@H]1Cc2cc(Br)ccc2O1)c1ccc(F)cc1 ZINC000471641653 566967244 /nfs/dbraw/zinc/96/72/44/566967244.db2.gz GCBOHSBIAZEIEW-GDBMZVCRSA-N 0 0 375.197 3.273 10 30 GGEERN N#C[C@H](NC(=O)[C@H]1Cc2cc(Br)ccc2O1)c1ccc(F)cc1 ZINC000471641654 566967976 /nfs/dbraw/zinc/96/79/76/566967976.db2.gz GCBOHSBIAZEIEW-GOEBONIOSA-N 0 0 375.197 3.273 10 30 GGEERN N#C[C@@H](NC(=O)[C@@H]1Cc2cc(Br)ccc2O1)c1ccc(F)cc1 ZINC000471641656 566968023 /nfs/dbraw/zinc/96/80/23/566968023.db2.gz GCBOHSBIAZEIEW-ZBFHGGJFSA-N 0 0 375.197 3.273 10 30 GGEERN N#CCCCC(=O)N1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000452371496 566969994 /nfs/dbraw/zinc/96/99/94/566969994.db2.gz RMKFJHVJJOERJY-AWEZNQCLSA-N 0 0 382.245 3.376 10 30 GGEERN C=CCN1CCC(NS(=O)(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000656900494 566970219 /nfs/dbraw/zinc/97/02/19/566970219.db2.gz ZNMJGHFATQFSPP-UHFFFAOYSA-N 0 0 393.734 3.031 10 30 GGEERN C=CCCCCNC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000471696709 566970558 /nfs/dbraw/zinc/97/05/58/566970558.db2.gz JHWLTLVSSZBYKI-UHFFFAOYSA-N 0 0 381.270 3.037 10 30 GGEERN COc1cc(NC(=O)N(CCC#N)Cc2ccco2)ncc1Br ZINC000612434121 566972414 /nfs/dbraw/zinc/97/24/14/566972414.db2.gz FESALAHDDKSSJI-UHFFFAOYSA-N 0 0 379.214 3.393 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1Br ZINC000429999162 566974243 /nfs/dbraw/zinc/97/42/43/566974243.db2.gz IHLZZQIHATXSKC-GDBMZVCRSA-N 0 0 377.263 3.155 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1Br ZINC000429999167 566974675 /nfs/dbraw/zinc/97/46/75/566974675.db2.gz IHLZZQIHATXSKC-ZBFHGGJFSA-N 0 0 377.263 3.155 10 30 GGEERN Cc1nc(CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)sc1Br ZINC000452401123 566976025 /nfs/dbraw/zinc/97/60/25/566976025.db2.gz VRLANSOKRQXBDS-JTQLQIEISA-N 0 0 380.267 3.169 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000612514990 566977569 /nfs/dbraw/zinc/97/75/69/566977569.db2.gz GOLFULHWAZMOEF-BDJLRTHQSA-N 0 0 385.277 3.106 10 30 GGEERN C=CCOCCNC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000681471800 566978518 /nfs/dbraw/zinc/97/85/18/566978518.db2.gz KJXUCHOJJRQRBZ-UHFFFAOYSA-N 0 0 383.271 3.292 10 30 GGEERN COc1cc(C#N)ccc1CN(CCO)Cc1cc(Br)cs1 ZINC000494278862 566983002 /nfs/dbraw/zinc/98/30/02/566983002.db2.gz DZOUZEVSLWWNQS-UHFFFAOYSA-N 0 0 381.295 3.385 10 30 GGEERN Cn1ncc(C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)c1C(F)(F)F ZINC000633727905 566983773 /nfs/dbraw/zinc/98/37/73/566983773.db2.gz LLYOMCFFMNANPB-UHFFFAOYSA-N 0 0 395.235 3.197 10 30 GGEERN O=C(COc1cc(F)cc(F)c1)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000633732140 566985288 /nfs/dbraw/zinc/98/52/88/566985288.db2.gz WVZMUMTURROESC-UHFFFAOYSA-N 0 0 389.252 3.488 10 30 GGEERN Cn1nc(C(F)(F)F)cc1C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 ZINC000633732156 566985711 /nfs/dbraw/zinc/98/57/11/566985711.db2.gz XUOVPUPIRRUIFN-UHFFFAOYSA-N 0 0 395.235 3.197 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000430133259 566988019 /nfs/dbraw/zinc/98/80/19/566988019.db2.gz YKFMWPOEJNWGOL-INIZCTEOSA-N 0 0 387.277 3.210 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCc1cc2cccnc2cc1Br ZINC000612682786 566988842 /nfs/dbraw/zinc/98/88/42/566988842.db2.gz HEKMBAYLSABMQO-KRWDZBQOSA-N 0 0 390.281 3.084 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CCCC1 ZINC000544725462 566988775 /nfs/dbraw/zinc/98/87/75/566988775.db2.gz WLSYVUXJSSQSMW-CYBMUJFWSA-N 0 0 385.892 3.061 10 30 GGEERN N#CC1(CS(=O)(=O)N2CCc3sc(Br)cc3C2)CCCC1 ZINC000612681125 566989144 /nfs/dbraw/zinc/98/91/44/566989144.db2.gz WHESJZRJLPXCDW-UHFFFAOYSA-N 0 0 389.340 3.282 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)N1CC(F)(F)C[C@H]1CO ZINC000656980609 566989241 /nfs/dbraw/zinc/98/92/41/566989241.db2.gz ODRBKWLAYIXKGM-NSHDSACASA-N 0 0 391.212 3.248 10 30 GGEERN CC(C)C[C@@H](C#N)NC(=O)c1ncc(Br)cc1Br ZINC000612691948 566989610 /nfs/dbraw/zinc/98/96/10/566989610.db2.gz OFJMBJRMMNIRTA-VIFPVBQESA-N 0 0 375.064 3.275 10 30 GGEERN C[C@@H](Cc1cccc(Br)c1)NS(=O)(=O)CC1(C#N)CCCC1 ZINC000544747300 566989984 /nfs/dbraw/zinc/98/99/84/566989984.db2.gz ZIRJXTPSDJISKE-ZDUSSCGKSA-N 0 0 385.327 3.383 10 30 GGEERN N#CC1(CS(=O)(=O)NCc2cc(F)cc(Br)c2)CCCC1 ZINC000544750114 566990847 /nfs/dbraw/zinc/99/08/47/566990847.db2.gz LDVIMMCVPIQZIN-UHFFFAOYSA-N 0 0 375.263 3.092 10 30 GGEERN Cc1cc(Br)cn2cc(CNC(=O)c3sccc3C#N)nc12 ZINC000544771157 566991946 /nfs/dbraw/zinc/99/19/46/566991946.db2.gz MKBQGZLQPYQEOZ-UHFFFAOYSA-N 0 0 375.251 3.268 10 30 GGEERN COc1cc2c(cc1C(=O)N[C@@H](C#N)c1ccccc1Br)OCO2 ZINC000612740564 566992581 /nfs/dbraw/zinc/99/25/81/566992581.db2.gz OIQJWGHLHPMJGD-ZDUSSCGKSA-N 0 0 389.205 3.181 10 30 GGEERN N#Cc1cc(Cl)cc(Br)c1N1CC[C@H](Nc2ncccn2)C1 ZINC000520401266 567002728 /nfs/dbraw/zinc/00/27/28/567002728.db2.gz CBUWNJHJCVXSDU-LBPRGKRZSA-N 0 0 378.661 3.455 10 30 GGEERN N#Cc1cccc(N2CCN(Cc3ccc(Br)cc3F)CC2)n1 ZINC000544879065 567004783 /nfs/dbraw/zinc/00/47/83/567004783.db2.gz OCKGISMUXRBDED-UHFFFAOYSA-N 0 0 375.245 3.177 10 30 GGEERN C=CCOCCNC(=O)Nc1ccnn1Cc1ccccc1Br ZINC000681779138 567004819 /nfs/dbraw/zinc/00/48/19/567004819.db2.gz XQILWMUCGKRLFK-UHFFFAOYSA-N 0 0 379.258 3.018 10 30 GGEERN C=CCOCCNC(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000681779828 567005521 /nfs/dbraw/zinc/00/55/21/567005521.db2.gz IRIBXFMYLUNYFI-UHFFFAOYSA-N 0 0 379.258 3.018 10 30 GGEERN C=CCCC1(CNS(=O)(=O)c2ccc(CCNC(C)=O)s2)CCCC1 ZINC000657064167 567009287 /nfs/dbraw/zinc/00/92/87/567009287.db2.gz CAZACTRSYVAUEY-UHFFFAOYSA-N 0 0 384.567 3.232 10 30 GGEERN C=CC(C)(C)CNC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 ZINC000452775250 567016759 /nfs/dbraw/zinc/01/67/59/567016759.db2.gz NRNUXUPTLSEDBX-LBPRGKRZSA-N 0 0 388.327 3.187 10 30 GGEERN C=CC(C)(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000452781129 567016983 /nfs/dbraw/zinc/01/69/83/567016983.db2.gz ZDXXBVNDIRQXKR-UHFFFAOYSA-N 0 0 384.929 3.069 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000564888355 567018432 /nfs/dbraw/zinc/01/84/32/567018432.db2.gz YUURKXLTBPLHCN-KRTOXCLKSA-N 0 0 385.291 3.184 10 30 GGEERN N#CC1(CS(=O)(=O)N(CCCO)Cc2ccc(Cl)c(Cl)c2)CCC1 ZINC000584200338 567020248 /nfs/dbraw/zinc/02/02/48/567020248.db2.gz VQGIOKKEDXBUBA-UHFFFAOYSA-N 0 0 391.320 3.201 10 30 GGEERN CC(C)[C@H]1C[C@H](CNC(=O)COc2cccc(Br)c2C#N)CCO1 ZINC000452823861 567021244 /nfs/dbraw/zinc/02/12/44/567021244.db2.gz RGLVLOWDAPBCLV-CXAGYDPISA-N 0 0 395.297 3.267 10 30 GGEERN CC(C)[C@@H]1C[C@H](CNC(=O)COc2ccc(C#N)c(Br)c2)CCO1 ZINC000452831640 567021352 /nfs/dbraw/zinc/02/13/52/567021352.db2.gz XIXCSJFYPVADRM-DYVFJYSZSA-N 0 0 395.297 3.267 10 30 GGEERN CC(=O)c1cc(Br)ccc1OCC(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC000634197128 567024448 /nfs/dbraw/zinc/02/44/48/567024448.db2.gz GNOLGUUVTVQCBR-IUODEOHRSA-N 0 0 379.254 3.181 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000613305487 567028888 /nfs/dbraw/zinc/02/88/88/567028888.db2.gz RJWQPVOMELVYBD-GUYCJALGSA-N 0 0 384.307 3.159 10 30 GGEERN N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C2(CF)CCC2)CC1 ZINC000565013551 567031552 /nfs/dbraw/zinc/03/15/52/567031552.db2.gz IANROHRGTGFSRW-MRXNPFEDSA-N 0 0 394.288 3.298 10 30 GGEERN C=CCOc1c(Br)cc(CN2CC(F)(F)C[C@@H]2CO)cc1OC ZINC000682165646 567035136 /nfs/dbraw/zinc/03/51/36/567035136.db2.gz XRZWMEQWNWPBTM-GFCCVEGCSA-N 0 0 392.240 3.224 10 30 GGEERN C=CCn1c(SC[C@@H](OC)[C@@H]2CCOC2)nc2sc(C)c(C)c2c1=O ZINC000657229255 567037594 /nfs/dbraw/zinc/03/75/94/567037594.db2.gz FIIIEKDPSOUHSG-ZIAGYGMSSA-N 0 0 380.535 3.404 10 30 GGEERN N#Cc1ccc(C(=O)Nc2cc(Br)ccc2N2CCOCC2)o1 ZINC000430894788 567038246 /nfs/dbraw/zinc/03/82/46/567038246.db2.gz PAXAAKMROFEYFN-UHFFFAOYSA-N 0 0 376.210 3.003 10 30 GGEERN COC(=O)c1cccc(NC(=O)N(C[C@@H](C)C#N)C2CC2)c1Br ZINC000495039542 567040603 /nfs/dbraw/zinc/04/06/03/567040603.db2.gz ZMWKKNOBXVLAGF-JTQLQIEISA-N 0 0 380.242 3.392 10 30 GGEERN N#CC1(CS(=O)(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)CCC1 ZINC000521118113 567041494 /nfs/dbraw/zinc/04/14/94/567041494.db2.gz KAEZJSWYVUFPSI-QGZVFWFLSA-N 0 0 382.913 3.421 10 30 GGEERN CCn1c(CNC(=O)NCC2(CC#N)CC2)nc2cc(Br)ccc21 ZINC000430959737 567042400 /nfs/dbraw/zinc/04/24/00/567042400.db2.gz DIJABDKPFVQILV-UHFFFAOYSA-N 0 0 390.285 3.312 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)CCCC1 ZINC000545363648 567043248 /nfs/dbraw/zinc/04/32/48/567043248.db2.gz LFURVWWALKDZMV-OAHLLOKOSA-N 0 0 381.929 3.312 10 30 GGEERN CN1CC[C@@H](NS(=O)(=O)CC2(C#N)CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000545370114 567044999 /nfs/dbraw/zinc/04/49/99/567044999.db2.gz RRIVSCXVOIJTJG-IAGOWNOFSA-N 0 0 381.929 3.089 10 30 GGEERN CN1CC[C@H](NS(=O)(=O)CC2(C#N)CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000545370113 567045198 /nfs/dbraw/zinc/04/51/98/567045198.db2.gz RRIVSCXVOIJTJG-DLBZAZTESA-N 0 0 381.929 3.089 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCc1cc2cc(Br)ccc2[nH]1 ZINC000613569555 567045651 /nfs/dbraw/zinc/04/56/51/567045651.db2.gz PPIWAAWVSCHFTN-INIZCTEOSA-N 0 0 378.270 3.018 10 30 GGEERN N#Cc1ccc(NC(=O)Cn2ccc(=O)c3ccccc32)cc1Br ZINC000584494216 567047679 /nfs/dbraw/zinc/04/76/79/567047679.db2.gz ZVRGIOBRBXVFNL-UHFFFAOYSA-N 0 0 382.217 3.274 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCc2c(Br)cc(C)cc2C1 ZINC000613670580 567053568 /nfs/dbraw/zinc/05/35/68/567053568.db2.gz PQXMCJDBOPZHQC-QGZVFWFLSA-N 0 0 379.298 3.113 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000613702252 567055425 /nfs/dbraw/zinc/05/54/25/567055425.db2.gz PKTQOSZZQNZGHU-AWEZNQCLSA-N 0 0 378.885 3.192 10 30 GGEERN C=CCCCCCNS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000521370378 567056358 /nfs/dbraw/zinc/05/63/58/567056358.db2.gz RMQAXVABNCNPAO-UHFFFAOYSA-N 0 0 378.416 3.003 10 30 GGEERN N#Cc1cc(S(=O)(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)ccc1Cl ZINC000584708546 567062927 /nfs/dbraw/zinc/06/29/27/567062927.db2.gz PCSIFKFADKXNCB-IUODEOHRSA-N 0 0 382.894 3.472 10 30 GGEERN N#CCC1(CNC(=O)[C@@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)CC1 ZINC000431178106 567063466 /nfs/dbraw/zinc/06/34/66/567063466.db2.gz JHMFRTNLGBBBRN-MRXNPFEDSA-N 0 0 382.291 3.177 10 30 GGEERN Cc1cc(N(CCC#N)C(=O)CN[C@H](CO)c2ccsc2)ccc1Cl ZINC000473170249 567065549 /nfs/dbraw/zinc/06/55/49/567065549.db2.gz OCASQXZSCANESG-QGZVFWFLSA-N 0 0 377.897 3.280 10 30 GGEERN Cc1cc(N(CCC#N)C(=O)CN[C@@H](CO)c2ccsc2)ccc1Cl ZINC000473170248 567065967 /nfs/dbraw/zinc/06/59/67/567065967.db2.gz OCASQXZSCANESG-KRWDZBQOSA-N 0 0 377.897 3.280 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCc2cc(Br)c(Cl)cc21 ZINC000613866739 567067956 /nfs/dbraw/zinc/06/79/56/567067956.db2.gz MKGRJLHFXQVUNP-CQSZACIVSA-N 0 0 385.689 3.463 10 30 GGEERN C=CCOc1c(Br)cc(CN[C@@H]2C[C@@H](C)n3ncnc32)cc1OC ZINC000657567074 567071069 /nfs/dbraw/zinc/07/10/69/567071069.db2.gz IJOJXBUIZPSYFE-BXUZGUMPSA-N 0 0 393.285 3.410 10 30 GGEERN Cc1ccc(S(=O)(=O)NCCN(C)[C@H](C#N)c2ccc(Cl)cc2)cc1 ZINC000585719803 567082631 /nfs/dbraw/zinc/08/26/31/567082631.db2.gz SMMSRARBTHIYJK-GOSISDBHSA-N 0 0 377.897 3.123 10 30 GGEERN Cc1ccc(S(=O)(=O)NCCN(C)[C@@H](C#N)c2ccc(Cl)cc2)cc1 ZINC000585719804 567082831 /nfs/dbraw/zinc/08/28/31/567082831.db2.gz SMMSRARBTHIYJK-SFHVURJKSA-N 0 0 377.897 3.123 10 30 GGEERN C[C@@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1ncc(Br)cn1 ZINC000431482119 567084848 /nfs/dbraw/zinc/08/48/48/567084848.db2.gz JOLXVRWTFWFGLS-SECBINFHSA-N 0 0 399.208 3.162 10 30 GGEERN CS(=O)(=O)C[C@@H]1CCCN(c2c(Br)cc(Cl)cc2C#N)C1 ZINC000431500533 567085794 /nfs/dbraw/zinc/08/57/94/567085794.db2.gz ALPDABKGSNMFNZ-SNVBAGLBSA-N 0 0 391.718 3.235 10 30 GGEERN N#Cc1cnccc1N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000614148952 567089368 /nfs/dbraw/zinc/08/93/68/567089368.db2.gz HIVXTZCZYOQSQH-GOSISDBHSA-N 0 0 382.265 3.103 10 30 GGEERN N#Cc1cc(CN2CCO[C@@H](c3ccc(F)c(Br)c3)C2)ccn1 ZINC000614210023 567092644 /nfs/dbraw/zinc/09/26/44/567092644.db2.gz IALKUAKXJIDKCI-QGZVFWFLSA-N 0 0 376.229 3.428 10 30 GGEERN C=CCOCCCC(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000473626401 567093286 /nfs/dbraw/zinc/09/32/86/567093286.db2.gz PGTRZOLBPSCRFN-UHFFFAOYSA-N 0 0 378.519 3.230 10 30 GGEERN N#Cc1cc(CN2CCO[C@H](c3ccc(F)c(Br)c3)C2)ccn1 ZINC000614210006 567093189 /nfs/dbraw/zinc/09/31/89/567093189.db2.gz IALKUAKXJIDKCI-KRWDZBQOSA-N 0 0 376.229 3.428 10 30 GGEERN N#Cc1ccc(C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)s1 ZINC000473630335 567093934 /nfs/dbraw/zinc/09/39/34/567093934.db2.gz NDGOABHKVNOIBA-UHFFFAOYSA-N 0 0 387.511 3.494 10 30 GGEERN COC(=O)c1sccc1S(=O)(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431619496 567095969 /nfs/dbraw/zinc/09/59/69/567095969.db2.gz ILHKBXCVKVKKCT-AWEZNQCLSA-N 0 0 378.475 3.248 10 30 GGEERN COc1cc(C#N)ccc1NC(=O)C(=O)NCc1ccc(Cl)cc1Cl ZINC000546002501 567095954 /nfs/dbraw/zinc/09/59/54/567095954.db2.gz 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ZINC000546063608 567100521 /nfs/dbraw/zinc/10/05/21/567100521.db2.gz JHZXFUZPWAWSGD-UHFFFAOYSA-N 0 0 376.400 3.131 10 30 GGEERN N#CC1(CS(=O)(=O)NCC2(c3ccccc3Br)CC2)CCCC1 ZINC000546059449 567100879 /nfs/dbraw/zinc/10/08/79/567100879.db2.gz KMMRJVYBZLASAB-UHFFFAOYSA-N 0 0 397.338 3.484 10 30 GGEERN CC[C@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)c1ccc(Cl)s1 ZINC000586859844 567100897 /nfs/dbraw/zinc/10/08/97/567100897.db2.gz KRJCBVQXALPMEY-ZDUSSCGKSA-N 0 0 379.844 3.296 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@@H]2CCc3c2cccc3Br)CCCC1 ZINC000546070103 567102087 /nfs/dbraw/zinc/10/20/87/567102087.db2.gz VSBDNQAOGLDBNK-OAHLLOKOSA-N 0 0 383.311 3.440 10 30 GGEERN N#C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(Br)cc1 ZINC000522202315 567104641 /nfs/dbraw/zinc/10/46/41/567104641.db2.gz WBGZRXMNJMEIRV-WMLDXEAASA-N 0 0 398.260 3.183 10 30 GGEERN Cc1cccn2cc(CC(=O)N[C@H](C#N)c3ccc(Br)cc3)nc12 ZINC000522203101 567104946 /nfs/dbraw/zinc/10/49/46/567104946.db2.gz NACMKYYXRFWANT-MRXNPFEDSA-N 0 0 383.249 3.329 10 30 GGEERN N#Cc1cc(Cl)cc(Br)c1N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000587862102 567104889 /nfs/dbraw/zinc/10/48/89/567104889.db2.gz IADLAPPRYGGHPZ-GJZGRUSLSA-N 0 0 384.705 3.010 10 30 GGEERN N#Cc1cc(Cl)cc(Br)c1N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000587862103 567106197 /nfs/dbraw/zinc/10/61/97/567106197.db2.gz IADLAPPRYGGHPZ-HUUCEWRRSA-N 0 0 384.705 3.010 10 30 GGEERN COCc1nc2n(n1)C[C@H](Nc1c(Br)cc(Cl)cc1C#N)CC2 ZINC000587996475 567106490 /nfs/dbraw/zinc/10/64/90/567106490.db2.gz RIBBLCQMKXXOCX-LLVKDONJSA-N 0 0 396.676 3.139 10 30 GGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCc1ccc(OC)cc1Br ZINC000614373038 567107195 /nfs/dbraw/zinc/10/71/95/567107195.db2.gz OCXWKBWCUWPQPR-KSSFIOAISA-N 0 0 382.298 3.488 10 30 GGEERN N#Cc1cc(Cl)cc(Br)c1N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000588017580 567107964 /nfs/dbraw/zinc/10/79/64/567107964.db2.gz OOSPTWFYBJPGME-LBPRGKRZSA-N 0 0 383.677 3.014 10 30 GGEERN N#Cc1cc(Cl)cc(Br)c1N1CCC(Cn2cncn2)CC1 ZINC000588023006 567108195 /nfs/dbraw/zinc/10/81/95/567108195.db2.gz 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/nfs/dbraw/zinc/11/64/02/567116402.db2.gz BXVJLMPFLYIGCX-UHFFFAOYSA-N 0 0 385.221 3.198 10 30 GGEERN CN(Cc1ccc(F)cc1)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000497719346 567120161 /nfs/dbraw/zinc/12/01/61/567120161.db2.gz IMGIZMYLDWDTNO-UHFFFAOYSA-N 0 0 390.212 3.057 10 30 GGEERN Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[C@@H](CC#N)C2)c(Br)c1 ZINC000453862306 567121008 /nfs/dbraw/zinc/12/10/08/567121008.db2.gz ZCTXJDUMPZLWQJ-STQMWFEESA-N 0 0 378.270 3.203 10 30 GGEERN CCc1cc(Br)ccc1NC(=O)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000453862267 567121168 /nfs/dbraw/zinc/12/11/68/567121168.db2.gz YTZHEAMQBGANTP-FZMZJTMJSA-N 0 0 378.270 3.149 10 30 GGEERN N#Cc1ccnc(C(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)c1 ZINC000588280236 567123334 /nfs/dbraw/zinc/12/33/34/567123334.db2.gz OVHMTBYOWJKPJK-UHFFFAOYSA-N 0 0 381.233 3.396 10 30 GGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000658141595 567123680 /nfs/dbraw/zinc/12/36/80/567123680.db2.gz SMKWAYDVEJBQKZ-ZYHUDNBSSA-N 0 0 375.416 3.438 10 30 GGEERN C=CCn1c(-c2cc(OC)ccc2Br)nnc1N1CCOC[C@H]1C ZINC000566074275 567124215 /nfs/dbraw/zinc/12/42/15/567124215.db2.gz URSUYIBLPZHOHC-GFCCVEGCSA-N 0 0 393.285 3.127 10 30 GGEERN N#Cc1cc(CS(=O)(=O)Cc2cc(F)c(C(F)(F)F)cc2F)ccn1 ZINC000588320168 567125001 /nfs/dbraw/zinc/12/50/01/567125001.db2.gz OWBSWHNZOTXSRC-UHFFFAOYSA-N 0 0 376.306 3.365 10 30 GGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(Br)cnc1C ZINC000658136233 567125056 /nfs/dbraw/zinc/12/50/56/567125056.db2.gz CMBKYDLFAQBLFG-OCCSQVGLSA-N 0 0 380.286 3.342 10 30 GGEERN Cn1cc(C#N)cc1-c1nc(Cc2cc3c(cc2Br)OCO3)no1 ZINC000546382817 567125671 /nfs/dbraw/zinc/12/56/71/567125671.db2.gz YICJBADAWTVJDP-UHFFFAOYSA-N 0 0 387.193 3.029 10 30 GGEERN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1cscc1C#N ZINC000432035964 567126172 /nfs/dbraw/zinc/12/61/72/567126172.db2.gz IHXVMONTWDODBF-UHFFFAOYSA-N 0 0 392.278 3.401 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCCc2ccc(Br)cc2)ccc1Cl ZINC000522715859 567127135 /nfs/dbraw/zinc/12/71/35/567127135.db2.gz CNZKYZSZHCSACE-UHFFFAOYSA-N 0 0 399.697 3.495 10 30 GGEERN N#Cc1cscc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000432047927 567127382 /nfs/dbraw/zinc/12/73/82/567127382.db2.gz QCXRBHRYBBEZRQ-UHFFFAOYSA-N 0 0 395.893 3.310 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000566142159 567130051 /nfs/dbraw/zinc/13/00/51/567130051.db2.gz DHQGMQVEKOEGRQ-XIRDDKMYSA-N 0 0 395.297 3.123 10 30 GGEERN CCC1(CC)CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CCS1(=O)=O ZINC000614675846 567132213 /nfs/dbraw/zinc/13/22/13/567132213.db2.gz XQOKZRDGCUIXDN-UHFFFAOYSA-N 0 0 389.304 3.294 10 30 GGEERN N#CCC1CCN(c2ncnc3cccc(I)c32)CC1 ZINC000546579936 567138976 /nfs/dbraw/zinc/13/89/76/567138976.db2.gz NLMZNRDJAFCNHQ-UHFFFAOYSA-N 0 0 378.217 3.364 10 30 GGEERN Cc1ccccc1C(=O)NCC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000474151743 567140245 /nfs/dbraw/zinc/14/02/45/567140245.db2.gz GSDCIFOOFDYGST-HNNXBMFYSA-N 0 0 376.243 3.413 10 30 GGEERN N#Cc1cc(S(=O)(=O)NC2CC(OCc3ccccc3)C2)ccc1Cl ZINC000546624590 567144638 /nfs/dbraw/zinc/14/46/38/567144638.db2.gz LZUPXOBMPPYOGX-UHFFFAOYSA-N 0 0 376.865 3.238 10 30 GGEERN N#Cc1c(Br)cccc1S(=O)(=O)N1CCc2c1c(F)ccc2F ZINC000432282468 567145388 /nfs/dbraw/zinc/14/53/88/567145388.db2.gz FYDFBPCUTIQOIV-UHFFFAOYSA-N 0 0 399.216 3.350 10 30 GGEERN C[C@H]1Cc2ccccc2[C@H]1NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000566313630 567148044 /nfs/dbraw/zinc/14/80/44/567148044.db2.gz KOSPGBFDZWFXER-GTNSWQLSSA-N 0 0 398.260 3.309 10 30 GGEERN C=C[C@](C)(CCOC)C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000474241837 567150959 /nfs/dbraw/zinc/15/09/59/567150959.db2.gz HIHKBQZGYPFPOP-LJQANCHMSA-N 0 0 395.341 3.322 10 30 GGEERN COc1cc2c(cc1C(=O)N[C@H](C#N)c1cccc(Br)c1)OCO2 ZINC000546753831 567154763 /nfs/dbraw/zinc/15/47/63/567154763.db2.gz CJZAERGKIPQESP-CYBMUJFWSA-N 0 0 389.205 3.181 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000615103848 567159588 /nfs/dbraw/zinc/15/95/88/567159588.db2.gz VZBBABZDBKOZGF-XIRDDKMYSA-N 0 0 379.298 3.282 10 30 GGEERN N#C[C@@H](NC(=O)c1ccnc(-n2cccn2)c1)c1ccc(Br)cc1 ZINC000523528526 567160528 /nfs/dbraw/zinc/16/05/28/567160528.db2.gz DHYKEGOEKXWGSN-OAHLLOKOSA-N 0 0 382.221 3.024 10 30 GGEERN Cc1cnc(C)nc1N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000566482096 567161242 /nfs/dbraw/zinc/16/12/42/567161242.db2.gz KAJGVETXIDMYTN-QGZVFWFLSA-N 0 0 386.297 3.243 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)cn1 ZINC000546871797 567166444 /nfs/dbraw/zinc/16/64/44/567166444.db2.gz DYHSSSDLELCNLY-UHFFFAOYSA-N 0 0 379.844 3.256 10 30 GGEERN COC[C@H](NS(=O)(=O)CC1(C#N)CCC1)c1cccc(C(F)(F)F)c1 ZINC000589221594 567166892 /nfs/dbraw/zinc/16/68/92/567166892.db2.gz HTQLEYUJRZOXLX-AWEZNQCLSA-N 0 0 376.400 3.006 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1(c2ccccc2Br)CCC1 ZINC000615186481 567167431 /nfs/dbraw/zinc/16/74/31/567167431.db2.gz SRCMRDWIUVLJPS-QGZVFWFLSA-N 0 0 393.325 3.458 10 30 GGEERN COc1c2ccccc2oc1CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000474395272 567168389 /nfs/dbraw/zinc/16/83/89/567168389.db2.gz 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/nfs/dbraw/zinc/17/54/49/567175449.db2.gz GNSBCFHGMGVYMV-VIFPVBQESA-N 0 0 380.267 3.399 10 30 GGEERN N#CC1(NC(=O)CCC[S@](=O)c2ccc(Br)cc2)CCCC1 ZINC000523951388 567178174 /nfs/dbraw/zinc/17/81/74/567178174.db2.gz VOKBLUUNAFTKPF-QFIPXVFZSA-N 0 0 383.311 3.289 10 30 GGEERN CCN(CC)[C@H](CNS(=O)(=O)CC1(C#N)CCC1)c1ccccc1Cl ZINC000474596682 567180776 /nfs/dbraw/zinc/18/07/76/567180776.db2.gz SGKATYPCZMZOJG-QGZVFWFLSA-N 0 0 383.945 3.336 10 30 GGEERN C[C@H](NS(=O)(=O)CC1(C#N)CCC1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000474581999 567181227 /nfs/dbraw/zinc/18/12/27/567181227.db2.gz VQDGZUXRJDBDBP-NSHDSACASA-N 0 0 380.857 3.064 10 30 GGEERN C=CCOCCNC(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000684138301 567182650 /nfs/dbraw/zinc/18/26/50/567182650.db2.gz NFRGZZKFOOSLIF-INIZCTEOSA-N 0 0 382.302 3.238 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CC3CC2(C(F)(F)F)C3)ccc1C(F)(F)F ZINC000566725641 567184436 /nfs/dbraw/zinc/18/44/36/567184436.db2.gz XDUYTYDTVWSQDG-UHFFFAOYSA-N 0 0 384.301 3.292 10 30 GGEERN N#Cc1ccc(CNc2nc3ccc(Br)cn3n2)c(C(F)(F)F)c1 ZINC000589596876 567185321 /nfs/dbraw/zinc/18/53/21/567185321.db2.gz ZYRGTGZCSCOOCK-UHFFFAOYSA-N 0 0 396.170 3.416 10 30 GGEERN COc1cc(CNC(=O)NCCc2ccccc2Br)ccc1C#N ZINC000589608426 567186691 /nfs/dbraw/zinc/18/66/91/567186691.db2.gz AMSGPPZBXXDBGS-UHFFFAOYSA-N 0 0 388.265 3.371 10 30 GGEERN CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1nn(C)cc1Br ZINC000454606655 567188347 /nfs/dbraw/zinc/18/83/47/567188347.db2.gz YKGNMXRMNGKVHZ-UHFFFAOYSA-N 0 0 392.257 3.163 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCc3cc(F)c(F)cc32)cc1Br ZINC000432772716 567188661 /nfs/dbraw/zinc/18/86/61/567188661.db2.gz XMLNWRFUWGICBC-UHFFFAOYSA-N 0 0 399.216 3.350 10 30 GGEERN N#C[C@H]1COCCN1C(=O)c1cc(Oc2cccc(Br)c2)ccn1 ZINC000474669448 567189696 /nfs/dbraw/zinc/18/96/96/567189696.db2.gz BAYNMLFDHFKCSJ-ZDUSSCGKSA-N 0 0 388.221 3.001 10 30 GGEERN COc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432782182 567190686 /nfs/dbraw/zinc/19/06/86/567190686.db2.gz WBCSWFPMZCBUIV-UHFFFAOYSA-N 0 0 393.262 3.081 10 30 GGEERN N#C[C@H]1CN(C(=O)c2cc(Oc3cccc(Br)c3)ccn2)CCO1 ZINC000474705998 567193434 /nfs/dbraw/zinc/19/34/34/567193434.db2.gz GMZHSIZLRLXDCJ-HNNXBMFYSA-N 0 0 388.221 3.001 10 30 GGEERN CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)Cc1ccc[nH]1 ZINC000474729945 567193486 /nfs/dbraw/zinc/19/34/86/567193486.db2.gz NTUHUZMMWBOYDP-UHFFFAOYSA-N 0 0 392.253 3.085 10 30 GGEERN N#C[C@H](NC(=O)c1ccnc(-c2ncc[nH]2)c1)c1ccc(Br)cc1 ZINC000590064931 567206772 /nfs/dbraw/zinc/20/67/72/567206772.db2.gz YYNZVOMKKMUSGD-HNNXBMFYSA-N 0 0 382.221 3.229 10 30 GGEERN C[C@@H](NC(=O)N[C@H]1CCc2cc(C#N)ccc21)c1ncc(Br)cn1 ZINC000590099564 567207477 /nfs/dbraw/zinc/20/74/77/567207477.db2.gz LCZQHIBICYMCRT-BMIGLBTASA-N 0 0 386.253 3.158 10 30 GGEERN C[C@@](C#N)(NC(=O)CN1CCc2cc(Br)c(Cl)cc21)C1CC1 ZINC000615808741 567207874 /nfs/dbraw/zinc/20/78/74/567207874.db2.gz NTLUMAAEKCTCTH-INIZCTEOSA-N 0 0 382.689 3.273 10 30 GGEERN CCN(C[C@H](C)C#N)C(=O)CN1CCc2cc(Br)c(Cl)cc21 ZINC000615809148 567208028 /nfs/dbraw/zinc/20/80/28/567208028.db2.gz YWUXZZPVZQSYDR-LLVKDONJSA-N 0 0 384.705 3.473 10 30 GGEERN C=CCCCNC(=O)NCc1c(Br)cncc1Br ZINC000454898870 567210474 /nfs/dbraw/zinc/21/04/74/567210474.db2.gz RVXIWZBCFZEGNO-UHFFFAOYSA-N 0 0 377.080 3.372 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)c1nc2cc(Br)ccc2o1 ZINC000637649516 567210972 /nfs/dbraw/zinc/21/09/72/567210972.db2.gz BNPICWLCAUUVFN-CYBMUJFWSA-N 0 0 380.242 3.024 10 30 GGEERN C=C[C@@H]1OCC[C@H]1NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000615847793 567210986 /nfs/dbraw/zinc/21/09/86/567210986.db2.gz DDDJUTLKYADMCT-OLZOCXBDSA-N 0 0 389.087 3.214 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@H](c2cccc(Br)c2)C1 ZINC000615844472 567211114 /nfs/dbraw/zinc/21/11/14/567211114.db2.gz XDWQCYUWPDCBAZ-DOTOQJQBSA-N 0 0 379.298 3.236 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000615844476 567211807 /nfs/dbraw/zinc/21/18/07/567211807.db2.gz XDWQCYUWPDCBAZ-WBVHZDCISA-N 0 0 379.298 3.236 10 30 GGEERN C[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ncc(Br)cn1 ZINC000432980351 567212528 /nfs/dbraw/zinc/21/25/28/567212528.db2.gz UKGMNNWCNBKDMQ-SECBINFHSA-N 0 0 394.660 3.053 10 30 GGEERN Cc1cc(CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)ccc1I ZINC000454920264 567212915 /nfs/dbraw/zinc/21/29/15/567212915.db2.gz UFYPMTVHOIZQNO-JSGCOSHPSA-N 0 0 397.260 3.481 10 30 GGEERN Cn1cnnc1Sc1ccc(Br)cc1NC(=O)CC1(C#N)CC1 ZINC000590202340 567213070 /nfs/dbraw/zinc/21/30/70/567213070.db2.gz VLFRWMHLHRTNMG-UHFFFAOYSA-N 0 0 392.282 3.361 10 30 GGEERN CCOC(=O)C[C@H](NC(=O)CC1(C#N)CC1)c1ccc(Br)cc1 ZINC000590208433 567213723 /nfs/dbraw/zinc/21/37/23/567213723.db2.gz NXQWKNULWRAPFL-AWEZNQCLSA-N 0 0 379.254 3.253 10 30 GGEERN CCN([C@@H](C)c1cccnc1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433008789 567215921 /nfs/dbraw/zinc/21/59/21/567215921.db2.gz FBHIGEUZCLYJFG-LBPRGKRZSA-N 0 0 394.294 3.488 10 30 GGEERN C[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1ncc(Br)cn1 ZINC000433005969 567215983 /nfs/dbraw/zinc/21/59/83/567215983.db2.gz DZYHRFAFKZBWKG-VIFPVBQESA-N 0 0 394.660 3.053 10 30 GGEERN N#CC1(CC(=O)NCCSCCOc2cccc(Br)c2)CC1 ZINC000590241482 567216365 /nfs/dbraw/zinc/21/63/65/567216365.db2.gz PRIFICWDUBKFEN-UHFFFAOYSA-N 0 0 383.311 3.371 10 30 GGEERN N#Cc1cc(S(=O)(=O)NC2(c3cccc(Br)c3)CC2)ccc1F ZINC000524871468 567217646 /nfs/dbraw/zinc/21/76/46/567217646.db2.gz AJRIDQGAFPDOBJ-UHFFFAOYSA-N 0 0 395.253 3.427 10 30 GGEERN N#CC1(CC(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC000590303943 567219382 /nfs/dbraw/zinc/21/93/82/567219382.db2.gz QPMJYIBBTDGSMP-UHFFFAOYSA-N 0 0 376.298 3.224 10 30 GGEERN N#Cc1cscc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000433080760 567220585 /nfs/dbraw/zinc/22/05/85/567220585.db2.gz DSAYEAKDZBIFEV-QGZVFWFLSA-N 0 0 375.881 3.076 10 30 GGEERN CCOC(=O)C[C@H](NC(=O)CC1(C#N)CC1)c1cccc(Br)c1 ZINC000590326294 567220571 /nfs/dbraw/zinc/22/05/71/567220571.db2.gz FMMBHDJCPFUWPS-AWEZNQCLSA-N 0 0 379.254 3.253 10 30 GGEERN N#CC1(CC(=O)N[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000590358185 567220621 /nfs/dbraw/zinc/22/06/21/567220621.db2.gz HEHFVGPENXPQSY-LBPRGKRZSA-N 0 0 391.187 3.311 10 30 GGEERN COC(=O)C[C@@](C)(NC(=O)CC1(C#N)CC1)c1ccc(Br)cc1 ZINC000590340393 567221127 /nfs/dbraw/zinc/22/11/27/567221127.db2.gz YCDLRBCMKJHCCK-MRXNPFEDSA-N 0 0 379.254 3.037 10 30 GGEERN Cc1cc(N2CCC[C@@H](NC(=O)CC3(C#N)CC3)C2=O)ccc1Br ZINC000590327763 567221447 /nfs/dbraw/zinc/22/14/47/567221447.db2.gz GKESYCBFIMZFEC-OAHLLOKOSA-N 0 0 390.281 3.063 10 30 GGEERN Cc1cc(N2CCC[C@H](NC(=O)CC3(C#N)CC3)C2=O)ccc1Br ZINC000590327761 567221475 /nfs/dbraw/zinc/22/14/75/567221475.db2.gz GKESYCBFIMZFEC-HNNXBMFYSA-N 0 0 390.281 3.063 10 30 GGEERN C[C@]1(F)CNCCN(C(=O)NC(CCC(F)(F)F)CCC(F)(F)F)C1 ZINC000659604847 567222001 /nfs/dbraw/zinc/22/20/01/567222001.db2.gz HSYQAAJVJJFKEP-LBPRGKRZSA-N 0 0 381.336 3.383 10 30 GGEERN C=CCNc1ncc(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)s1 ZINC000433089855 567222693 /nfs/dbraw/zinc/22/26/93/567222693.db2.gz JKZZZPJCWFLVBA-GFCCVEGCSA-N 0 0 394.294 3.179 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000590390630 567222726 /nfs/dbraw/zinc/22/27/26/567222726.db2.gz UKKUTMPTHKZUKM-HNNXBMFYSA-N 0 0 386.249 3.318 10 30 GGEERN C[C@H](NC(=O)c1cc2ccccc2n1CC#N)c1ncc(Br)cn1 ZINC000590475798 567227310 /nfs/dbraw/zinc/22/73/10/567227310.db2.gz LJSHDECSIUFFCV-NSHDSACASA-N 0 0 384.237 3.208 10 30 GGEERN C=CCC[C@@H](CO)NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000616102076 567227874 /nfs/dbraw/zinc/22/78/74/567227874.db2.gz UIEMOLAPPKUPCS-NSHDSACASA-N 0 0 391.103 3.197 10 30 GGEERN N#CC1(CS(=O)(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CCC1 ZINC000616175586 567231593 /nfs/dbraw/zinc/23/15/93/567231593.db2.gz ANLDHUSWYVAEJI-HNNXBMFYSA-N 0 0 389.304 3.390 10 30 GGEERN CCN(Cc1cc(Br)ccc1F)S(=O)(=O)CC1(C#N)CCC1 ZINC000616175609 567232104 /nfs/dbraw/zinc/23/21/04/567232104.db2.gz JYIJQKHPWRHJFZ-UHFFFAOYSA-N 0 0 389.290 3.434 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)c1nnn(C(C)(C)C)n1 ZINC000616221236 567233363 /nfs/dbraw/zinc/23/33/63/567233363.db2.gz DCOVFJNCEGMNIN-UHFFFAOYSA-N 0 0 380.246 3.008 10 30 GGEERN CC(C)[C@@H](C#N)N1CCN(C(=O)CCc2cccc(F)c2Br)CC1 ZINC000590628055 567235905 /nfs/dbraw/zinc/23/59/05/567235905.db2.gz JBBSTLLAYJDADS-MRXNPFEDSA-N 0 0 396.304 3.213 10 30 GGEERN COc1ccc(C[NH+](C)C)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000547713105 567241965 /nfs/dbraw/zinc/24/19/65/567241965.db2.gz PTJDGXNUYJRFME-UHFFFAOYSA-N 0 0 379.869 3.083 10 30 GGEERN N#C[C@H](NC(=O)CCNC(=O)c1ccsc1)c1ccc(Br)cc1 ZINC000499396751 567243597 /nfs/dbraw/zinc/24/35/97/567243597.db2.gz UTUXERTVWVOQBM-AWEZNQCLSA-N 0 0 392.278 3.012 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000616409018 567244221 /nfs/dbraw/zinc/24/42/21/567244221.db2.gz GLKHCCMIXMLUSK-GUYCJALGSA-N 0 0 379.298 3.370 10 30 GGEERN Cc1nn(CC(=O)N[C@@H](C#N)c2ccc(Br)cc2)c(C)c1Cl ZINC000499391775 567244183 /nfs/dbraw/zinc/24/41/83/567244183.db2.gz MYGKLWHBYYSYCY-ZDUSSCGKSA-N 0 0 381.661 3.297 10 30 GGEERN CC(=O)NCc1ccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc1 ZINC000499395887 567244233 /nfs/dbraw/zinc/24/42/33/567244233.db2.gz YZUNXISOWZVDMZ-KRWDZBQOSA-N 0 0 386.249 3.080 10 30 GGEERN C[C@@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000499408638 567244901 /nfs/dbraw/zinc/24/49/01/567244901.db2.gz QDOBEBUOELAEJR-WBMJQRKESA-N 0 0 392.297 3.215 10 30 GGEERN N#C[C@@H](NC(=O)CNC(=O)CCC1CCCC1)c1ccc(Br)cc1 ZINC000499405098 567245043 /nfs/dbraw/zinc/24/50/43/567245043.db2.gz FFWTXFMBMUQWCM-MRXNPFEDSA-N 0 0 392.297 3.217 10 30 GGEERN N#C[C@@H](NC(=O)COCCOc1ccccc1)c1ccc(Br)cc1 ZINC000499412067 567245439 /nfs/dbraw/zinc/24/54/39/567245439.db2.gz NJQHORLZULCABD-QGZVFWFLSA-N 0 0 389.249 3.226 10 30 GGEERN COc1cc(OC)cc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)c1 ZINC000499406594 567245462 /nfs/dbraw/zinc/24/54/62/567245462.db2.gz QUPGDMXIUPHTHS-MRXNPFEDSA-N 0 0 375.222 3.461 10 30 GGEERN CC(C)(C)c1noc(CCC(=O)N[C@H](C#N)c2ccc(Br)cc2)n1 ZINC000499405879 567245483 /nfs/dbraw/zinc/24/54/83/567245483.db2.gz HDELZENLHXGIPE-CYBMUJFWSA-N 0 0 391.269 3.443 10 30 GGEERN Cc1ccc(-n2cc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)nn2)cc1 ZINC000499408843 567245695 /nfs/dbraw/zinc/24/56/95/567245695.db2.gz RJZBEXAJMZTBJD-INIZCTEOSA-N 0 0 396.248 3.333 10 30 GGEERN N#C[C@H](NC(=O)[C@H](O)Cc1ccccc1Cl)c1ccc(Br)cc1 ZINC000475396760 567245988 /nfs/dbraw/zinc/24/59/88/567245988.db2.gz VORQSVCGIIPIDG-JKSUJKDBSA-N 0 0 393.668 3.387 10 30 GGEERN C=CCCOCC(=O)N1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000590767866 567246135 /nfs/dbraw/zinc/24/61/35/567246135.db2.gz SEABEKNWOXCQIR-HNNXBMFYSA-N 0 0 399.272 3.275 10 30 GGEERN N#C[C@@H](NC(=O)COc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000499416448 567246404 /nfs/dbraw/zinc/24/64/04/567246404.db2.gz FPVSWABWBPWCIX-OAHLLOKOSA-N 0 0 390.193 3.117 10 30 GGEERN COc1ccc(OCC(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc1 ZINC000499415695 567246679 /nfs/dbraw/zinc/24/66/79/567246679.db2.gz CQELHIGUDURCDH-INIZCTEOSA-N 0 0 375.222 3.218 10 30 GGEERN C[S@](=O)Cc1cccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c1 ZINC000499416610 567246727 /nfs/dbraw/zinc/24/67/27/567246727.db2.gz HLMNTENYOXDMIS-HJPURHCSSA-N 0 0 391.290 3.322 10 30 GGEERN N#C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000499431453 567248163 /nfs/dbraw/zinc/24/81/63/567248163.db2.gz GBPQJTQNEFBQAY-CYBMUJFWSA-N 0 0 390.193 3.117 10 30 GGEERN COc1ccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000499431933 567248199 /nfs/dbraw/zinc/24/81/99/567248199.db2.gz HCPUYCGTRLQIMH-CYBMUJFWSA-N 0 0 390.193 3.361 10 30 GGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000499435803 567248344 /nfs/dbraw/zinc/24/83/44/567248344.db2.gz JNMLRANZWSDESN-UHFFFAOYSA-N 0 0 380.160 3.411 10 30 GGEERN N#C[C@@H](NC(=O)Cn1ccc(=O)c2ccccc21)c1ccc(Br)cc1 ZINC000499429307 567248704 /nfs/dbraw/zinc/24/87/04/567248704.db2.gz CHBOPTDDRMQPBN-MRXNPFEDSA-N 0 0 396.244 3.145 10 30 GGEERN CCC(CC)N1C[C@@H](C(=O)N[C@@H](C#N)c2ccc(Br)cc2)CC1=O ZINC000499441956 567249386 /nfs/dbraw/zinc/24/93/86/567249386.db2.gz HRJMBADOVYJAPM-BBRMVZONSA-N 0 0 392.297 3.167 10 30 GGEERN COc1cc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000499445074 567249437 /nfs/dbraw/zinc/24/94/37/567249437.db2.gz PLBLWEPLYVHRGI-ZDUSSCGKSA-N 0 0 390.193 3.361 10 30 GGEERN CCC(CC)N1C[C@@H](C(=O)N[C@H](C#N)c2ccc(Br)cc2)CC1=O ZINC000499441959 567250107 /nfs/dbraw/zinc/25/01/07/567250107.db2.gz HRJMBADOVYJAPM-XJKSGUPXSA-N 0 0 392.297 3.167 10 30 GGEERN N#C[C@H](NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc(Br)cc1 ZINC000499446507 567250268 /nfs/dbraw/zinc/25/02/68/567250268.db2.gz UQJUUWZGFVKLIA-NSHDSACASA-N 0 0 387.159 3.045 10 30 GGEERN C[C@@H](O)CN(CC(F)F)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000455245833 567251756 /nfs/dbraw/zinc/25/17/56/567251756.db2.gz VMTFWOTVKMBAMD-JMCQJSRRSA-N 0 0 376.272 3.226 10 30 GGEERN CC[C@H](NC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F)[C@H](O)C(F)F ZINC000455243890 567252010 /nfs/dbraw/zinc/25/20/10/567252010.db2.gz UFMZVLHHUMORKU-LSJOCFKGSA-N 0 0 376.272 3.272 10 30 GGEERN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccnc(C#N)c1 ZINC000475521128 567254416 /nfs/dbraw/zinc/25/44/16/567254416.db2.gz LZRKFQRENPMYRP-OAHLLOKOSA-N 0 0 378.215 3.246 10 30 GGEERN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccnc(C#N)c1 ZINC000475521125 567254559 /nfs/dbraw/zinc/25/45/59/567254559.db2.gz LZRKFQRENPMYRP-HNNXBMFYSA-N 0 0 378.215 3.246 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@@H]2CCOc3c(Br)cccc32)cc1 ZINC000499652980 567263283 /nfs/dbraw/zinc/26/32/83/567263283.db2.gz JOLDSHVCDBCZIG-OAHLLOKOSA-N 0 0 393.262 3.123 10 30 GGEERN CCN(C[C@@H](O)C(F)(F)F)C(=O)N[C@H](c1cc(F)ccc1F)C(F)F ZINC000433637139 567263611 /nfs/dbraw/zinc/26/36/11/567263611.db2.gz OCBNPWSYAFHZJC-GHMZBOCLSA-N 0 0 376.272 3.226 10 30 GGEERN N#Cc1cccc(S(=O)(=O)N[C@H]2CCOc3c(Br)cccc32)c1 ZINC000499665516 567264661 /nfs/dbraw/zinc/26/46/61/567264661.db2.gz BNYVUCOZUMONPJ-HNNXBMFYSA-N 0 0 393.262 3.123 10 30 GGEERN N#Cc1cccc(S(=O)(=O)N[C@@H]2CCOc3c(Br)cccc32)c1 ZINC000499665517 567264728 /nfs/dbraw/zinc/26/47/28/567264728.db2.gz BNYVUCOZUMONPJ-OAHLLOKOSA-N 0 0 393.262 3.123 10 30 GGEERN CC(C)(COCc1ccccc1)NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000499698923 567266070 /nfs/dbraw/zinc/26/60/70/567266070.db2.gz YFPRMAONOSOMPW-UHFFFAOYSA-N 0 0 378.881 3.485 10 30 GGEERN O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1CCO[C@H](CC(F)(F)F)C1 ZINC000660132361 567266274 /nfs/dbraw/zinc/26/62/74/567266274.db2.gz BZRFOASZTDWRIS-SECBINFHSA-N 0 0 395.296 3.186 10 30 GGEERN O=S(=O)(c1ccc(C(F)(F)F)c(F)c1)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000660134629 567267361 /nfs/dbraw/zinc/26/73/61/567267361.db2.gz QVUBUQHZHBNOCQ-QMMMGPOBSA-N 0 0 395.296 3.186 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000567695050 567269400 /nfs/dbraw/zinc/26/94/00/567269400.db2.gz VYOXTNFQWXWNBC-RBOXIYTFSA-N 0 0 383.275 3.054 10 30 GGEERN CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000499734181 567269756 /nfs/dbraw/zinc/26/97/56/567269756.db2.gz MQBMZCABZZEDMN-RIEGTJTDSA-N 0 0 376.309 3.165 10 30 GGEERN C[C@@H]1OCCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)[C@@H]1C(F)(F)F ZINC000660145175 567270420 /nfs/dbraw/zinc/27/04/20/567270420.db2.gz MWPXBNUJFSTMCT-CPCISQLKSA-N 0 0 395.296 3.185 10 30 GGEERN C[C@@H]1OCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)[C@@H]1C(F)(F)F ZINC000660143422 567270500 /nfs/dbraw/zinc/27/05/00/567270500.db2.gz BZOWODBPEDRZSK-CPCISQLKSA-N 0 0 395.296 3.185 10 30 GGEERN C=CCC(C)(C)CNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000567717946 567270708 /nfs/dbraw/zinc/27/07/08/567270708.db2.gz ABCQVYXGVAVWRO-UHFFFAOYSA-N 0 0 384.230 3.014 10 30 GGEERN C=CCOc1cc(OC)ccc1C(=O)Nc1ccnc(C)c1Br ZINC000525850718 567271276 /nfs/dbraw/zinc/27/12/76/567271276.db2.gz FGZRQLWDZITNHH-UHFFFAOYSA-N 0 0 377.238 3.400 10 30 GGEERN N#Cc1cccc(N2CCN(C(=O)c3cc(Cl)c(F)cc3Cl)CC2)n1 ZINC000499827096 567274971 /nfs/dbraw/zinc/27/49/71/567274971.db2.gz INBDOSMQXOJQBD-UHFFFAOYSA-N 0 0 379.222 3.362 10 30 GGEERN N#Cc1cc(CNc2cc(Br)c(F)cc2N2CCOCC2)ccn1 ZINC000591341285 567276381 /nfs/dbraw/zinc/27/63/81/567276381.db2.gz HIXVKRSEFHXEBL-UHFFFAOYSA-N 0 0 391.244 3.304 10 30 GGEERN N#C[C@@H](NC(=O)c1cc(Br)c2c(c1)OCCO2)c1ccc(F)cc1 ZINC000499845442 567276953 /nfs/dbraw/zinc/27/69/53/567276953.db2.gz MWLKTTOIDLUPGU-CQSZACIVSA-N 0 0 391.196 3.354 10 30 GGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CNC(=O)c1ccc(Br)s1 ZINC000617043026 567277839 /nfs/dbraw/zinc/27/78/39/567277839.db2.gz YRBGIIKPPPEJQI-NWDGAFQWSA-N 0 0 385.327 3.492 10 30 GGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000617038972 567278373 /nfs/dbraw/zinc/27/83/73/567278373.db2.gz AQWCKXMOLXSHDJ-OCCSQVGLSA-N 0 0 390.285 3.290 10 30 GGEERN N#Cc1ccc(NC(=O)N2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1Br ZINC000455467821 567278839 /nfs/dbraw/zinc/27/88/39/567278839.db2.gz STDGSIILQWEBHP-SKDRFNHKSA-N 0 0 392.175 3.098 10 30 GGEERN N#Cc1ccc(NC(=O)N2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1Br ZINC000455467809 567278886 /nfs/dbraw/zinc/27/88/86/567278886.db2.gz STDGSIILQWEBHP-BXKDBHETSA-N 0 0 392.175 3.098 10 30 GGEERN N#Cc1ccc(NC(=O)N2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1Br ZINC000455467819 567278986 /nfs/dbraw/zinc/27/89/86/567278986.db2.gz STDGSIILQWEBHP-JOYOIKCWSA-N 0 0 392.175 3.098 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCc3ccsc3C2)cc1Br ZINC000433880341 567281086 /nfs/dbraw/zinc/28/10/86/567281086.db2.gz QJVVHPHMMMMDRN-UHFFFAOYSA-N 0 0 383.292 3.129 10 30 GGEERN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](OC(F)F)C1 ZINC000685550349 567282067 /nfs/dbraw/zinc/28/20/67/567282067.db2.gz BHBQZSIPKNHIHA-JTQLQIEISA-N 0 0 388.216 3.040 10 30 GGEERN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cccn(C)c1=O ZINC000591451530 567283432 /nfs/dbraw/zinc/28/34/32/567283432.db2.gz OJXFNFIVRTVNHJ-UHFFFAOYSA-N 0 0 379.229 3.115 10 30 GGEERN Cn1c(COc2cc(C#N)ccc2I)nnc1C1CCC1 ZINC000499993571 567288392 /nfs/dbraw/zinc/28/83/92/567288392.db2.gz AQSKQUWEFFXSEJ-UHFFFAOYSA-N 0 0 394.216 3.138 10 30 GGEERN Cc1c2c(nc(SCc3ccc(S(=O)(=O)N(C)C)s3)c1C#N)CCC2 ZINC000591596010 567289286 /nfs/dbraw/zinc/28/92/86/567289286.db2.gz JDRGFZYJMLXUAK-UHFFFAOYSA-N 0 0 393.559 3.355 10 30 GGEERN N#Cc1cccnc1-n1cc(NC(=O)Cc2cscc2Br)cn1 ZINC000500043524 567293530 /nfs/dbraw/zinc/29/35/30/567293530.db2.gz VOQBPCKHNIOOQN-UHFFFAOYSA-N 0 0 388.250 3.144 10 30 GGEERN C=CCOCCCNC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000660439985 567296440 /nfs/dbraw/zinc/29/64/40/567296440.db2.gz NGNYWYBYQXNJIS-OAHLLOKOSA-N 0 0 396.329 3.167 10 30 GGEERN CC(C)(CNc1c(C#N)cnc2c(Br)cccc21)[C@]1(O)CCOC1 ZINC000591987828 567307290 /nfs/dbraw/zinc/30/72/90/567307290.db2.gz MCPIGSVVTGOCPQ-SFHVURJKSA-N 0 0 390.281 3.458 10 30 GGEERN CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cnc(OC)c(Cl)c1 ZINC000592018453 567308187 /nfs/dbraw/zinc/30/81/87/567308187.db2.gz RXZPQAKQJDKYIB-UHFFFAOYSA-N 0 0 379.869 3.216 10 30 GGEERN CCN(C[C@@H](C)C#N)S(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000592018323 567308397 /nfs/dbraw/zinc/30/83/97/567308397.db2.gz MGQOOQSZYLESRW-NSHDSACASA-N 0 0 384.299 3.111 10 30 GGEERN CO[C@H](CNS(=O)(=O)Cc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000592035580 567309857 /nfs/dbraw/zinc/30/98/57/567309857.db2.gz FKJJSOZWTGYCCN-GOSISDBHSA-N 0 0 378.881 3.213 10 30 GGEERN Cn1cc(Br)c2ccc(S(=O)(=O)N3CCC(C)(C#N)CC3)cc21 ZINC000592042304 567309970 /nfs/dbraw/zinc/30/99/70/567309970.db2.gz FPCVMZFTUASWEF-UHFFFAOYSA-N 0 0 396.310 3.255 10 30 GGEERN C[C@@H](NS(=O)(=O)Cc1ccc(CC#N)cc1)c1ccc(Br)cn1 ZINC000592048440 567311292 /nfs/dbraw/zinc/31/12/92/567311292.db2.gz QHIJPEGJXAQKNM-GFCCVEGCSA-N 0 0 394.294 3.091 10 30 GGEERN CC(C)C[C@@](C)(C#N)NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000476282572 567311652 /nfs/dbraw/zinc/31/16/52/567311652.db2.gz CSGJYEZEPSSBJW-KRWDZBQOSA-N 0 0 382.247 3.034 10 30 GGEERN CC(C)(C)O[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000592084817 567312593 /nfs/dbraw/zinc/31/25/93/567312593.db2.gz LTCYSFLLLJUABR-TXEJJXNPSA-N 0 0 376.400 3.201 10 30 GGEERN N#Cc1cnccc1CN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000592088713 567312802 /nfs/dbraw/zinc/31/28/02/567312802.db2.gz AKTZABYCQIQTAV-LJQANCHMSA-N 0 0 396.292 3.098 10 30 GGEERN C[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)[C@H]1Oc2ccccc2[C@@H]1C ZINC000476312024 567313687 /nfs/dbraw/zinc/31/36/87/567313687.db2.gz RBMBXXUFRRZWDT-PZROIBLQSA-N 0 0 376.865 3.443 10 30 GGEERN CCO[C@@H](C)c1nc(CN(C)S(=O)(=O)CC2(C#N)CCCCC2)cs1 ZINC000476317740 567314729 /nfs/dbraw/zinc/31/47/29/567314729.db2.gz FXCAFNSFLVTSGS-AWEZNQCLSA-N 0 0 385.555 3.476 10 30 GGEERN N#Cc1ccc(NC(=O)C(=O)NCc2ccc(C3CC3)cc2)cc1Br ZINC000500334069 567315122 /nfs/dbraw/zinc/31/51/22/567315122.db2.gz VJQAIVJKUYOKBU-UHFFFAOYSA-N 0 0 398.260 3.453 10 30 GGEERN CCCCN([C@H]1CCc2ncsc2C1)S(=O)(=O)c1cccc(C#N)c1 ZINC000592108247 567315180 /nfs/dbraw/zinc/31/51/80/567315180.db2.gz LHAXHZNYGUWEOS-HNNXBMFYSA-N 0 0 375.519 3.363 10 30 GGEERN CCN(C[C@@H](C)C#N)C(=O)CNC1(c2cc(Br)ccc2OC)CC1 ZINC000592137699 567315791 /nfs/dbraw/zinc/31/57/91/567315791.db2.gz MUGMUCOHNPRJNH-ZDUSSCGKSA-N 0 0 394.313 3.045 10 30 GGEERN COc1ccc(Br)cc1C1(NCC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000592137597 567316114 /nfs/dbraw/zinc/31/61/14/567316114.db2.gz JQLQLFSDWIFGFM-KRWDZBQOSA-N 0 0 394.313 3.091 10 30 GGEERN C[C@H](NC(=O)Nc1ccc(F)cc1OCC(F)(F)F)[C@H](O)C(F)(F)F ZINC000639678119 567316109 /nfs/dbraw/zinc/31/61/09/567316109.db2.gz FMTVUPWCTPERMS-WKEGUHRASA-N 0 0 378.244 3.200 10 30 GGEERN N#Cc1ccc(CN2CCC[C@@H](CO)[C@H]2C(F)(F)F)c(Br)c1 ZINC000592129153 567316324 /nfs/dbraw/zinc/31/63/24/567316324.db2.gz DEKIWXPLTZCUHX-JSGCOSHPSA-N 0 0 377.204 3.456 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCO[C@H](c3c(F)cccc3Cl)C2)s1 ZINC000592116285 567316622 /nfs/dbraw/zinc/31/66/22/567316622.db2.gz HEGABSZQKQPPNS-ZDUSSCGKSA-N 0 0 386.857 3.174 10 30 GGEERN C[C@H](NCc1ccncc1C#N)c1ccc(Br)cc1OCCCO ZINC000592121668 567316714 /nfs/dbraw/zinc/31/67/14/567316714.db2.gz ADKOBBVXJAOUKK-ZDUSSCGKSA-N 0 0 390.281 3.328 10 30 GGEERN C[C@@H](NC(=O)Nc1ccc(F)cc1OCC(F)(F)F)[C@H](O)C(F)(F)F ZINC000639678105 567316909 /nfs/dbraw/zinc/31/69/09/567316909.db2.gz FMTVUPWCTPERMS-LDWIPMOCSA-N 0 0 378.244 3.200 10 30 GGEERN C=CCCCN(C)C(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 ZINC000455906309 567320113 /nfs/dbraw/zinc/32/01/13/567320113.db2.gz RTGIQKUVXJAYIB-UHFFFAOYSA-N 0 0 396.333 3.026 10 30 GGEERN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476409252 567321636 /nfs/dbraw/zinc/32/16/36/567321636.db2.gz KDPPSHQPTRKXHH-PXAZEXFGSA-N 0 0 376.865 3.224 10 30 GGEERN C=CCCCN(C)C(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000455955007 567325097 /nfs/dbraw/zinc/32/50/97/567325097.db2.gz NAIJYSAALUPUHN-UHFFFAOYSA-N 0 0 383.290 3.111 10 30 GGEERN COc1cc2c(cc1F)CN(S(=O)(=O)c1cc(C#N)ccc1Cl)CC2 ZINC000476524245 567332189 /nfs/dbraw/zinc/33/21/89/567332189.db2.gz WIQMWVMQVLBZRG-UHFFFAOYSA-N 0 0 380.828 3.106 10 30 GGEERN C=CC[C@H]1CCCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 ZINC000617781566 567334366 /nfs/dbraw/zinc/33/43/66/567334366.db2.gz PMPVJFJJHXNKRE-NSHDSACASA-N 0 0 379.254 3.208 10 30 GGEERN CN([C@@](C)(C#N)C1CC1)S(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000592385209 567335083 /nfs/dbraw/zinc/33/50/83/567335083.db2.gz SVEZPEJVOFKUOE-INIZCTEOSA-N 0 0 396.310 3.254 10 30 GGEERN Cn1cc(Br)c2ccc(S(=O)(=O)N[C@@H](C#N)C(C)(C)C)cc21 ZINC000592382306 567335456 /nfs/dbraw/zinc/33/54/56/567335456.db2.gz OLZAZTPGZRPIJG-AWEZNQCLSA-N 0 0 384.299 3.157 10 30 GGEERN N#Cc1ccc(F)c(CS(=O)(=O)NCCc2ccccc2Br)c1 ZINC000500655065 567337268 /nfs/dbraw/zinc/33/72/68/567337268.db2.gz WHGXJPSNORKTRQ-UHFFFAOYSA-N 0 0 397.269 3.122 10 30 GGEERN COc1ccc(Br)c([C@H](CO)N(C)C(=O)c2sccc2C#N)c1 ZINC000456107376 567341600 /nfs/dbraw/zinc/34/16/00/567341600.db2.gz RMJURUGCUMGIEY-AWEZNQCLSA-N 0 0 395.278 3.196 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc2c([nH]1)c(Br)ccc2OC ZINC000568619555 567342869 /nfs/dbraw/zinc/34/28/69/567342869.db2.gz DWDIFBZFAWFHKF-HZMBPMFUSA-N 0 0 379.254 3.260 10 30 GGEERN C=CCCCN(CC)S(=O)(=O)c1ccc(I)cc1 ZINC000568614110 567343167 /nfs/dbraw/zinc/34/31/67/567343167.db2.gz HDRZBZSQTUKPFK-UHFFFAOYSA-N 0 0 379.263 3.268 10 30 GGEERN N#Cc1cc(NC(=O)C(=O)NCc2cc(F)c(Cl)cc2F)ccc1Cl ZINC000435202780 567346585 /nfs/dbraw/zinc/34/65/85/567346585.db2.gz NEDVFUYQDLYORZ-UHFFFAOYSA-N 0 0 384.169 3.398 10 30 GGEERN N#Cc1ccc(Cl)c(NC(=O)C(=O)NCc2cc(F)c(Cl)cc2F)c1 ZINC000435199512 567346607 /nfs/dbraw/zinc/34/66/07/567346607.db2.gz YJZAORBZSJTVIM-UHFFFAOYSA-N 0 0 384.169 3.398 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCc2ccc(F)c(Br)c2C1 ZINC000527600692 567347883 /nfs/dbraw/zinc/34/78/83/567347883.db2.gz HHUCYTODOLKUTK-WFASDCNBSA-N 0 0 383.261 3.247 10 30 GGEERN N#Cc1ccc(NC(=O)C(=O)NCc2cc(F)c(Cl)cc2F)c(Cl)c1 ZINC000435212297 567348076 /nfs/dbraw/zinc/34/80/76/567348076.db2.gz CRTWCEGIHJQANI-UHFFFAOYSA-N 0 0 384.169 3.398 10 30 GGEERN C[C@H](CCc1ccc(I)cc1)CC(=O)N(CC#N)CC#N ZINC000592595196 567348460 /nfs/dbraw/zinc/34/84/60/567348460.db2.gz VZUQMWNGTIDWPH-CYBMUJFWSA-N 0 0 395.244 3.126 10 30 GGEERN Cn1cc(C#N)cc1C(=O)NCc1cc(Br)ccc1Br ZINC000476779591 567349063 /nfs/dbraw/zinc/34/90/63/567349063.db2.gz NFQKSEZITRMXQU-UHFFFAOYSA-N 0 0 397.070 3.352 10 30 GGEERN N#Cc1cccc(CC(=O)N[C@H]2COc3cc(F)c(Br)cc32)c1 ZINC000548786206 567351131 /nfs/dbraw/zinc/35/11/31/567351131.db2.gz HXFUWGZVUILASD-HNNXBMFYSA-N 0 0 375.197 3.252 10 30 GGEERN Cc1c(C#N)c(NC(=O)CCCOc2ccccc2Br)nn1C ZINC000592646233 567352435 /nfs/dbraw/zinc/35/24/35/567352435.db2.gz IVUNXINIJHHIQH-UHFFFAOYSA-N 0 0 377.242 3.160 10 30 GGEERN CC[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1csc(C)c1 ZINC000592729948 567358314 /nfs/dbraw/zinc/35/83/14/567358314.db2.gz ONZQHKODCBQNBL-KRWDZBQOSA-N 0 0 376.503 3.111 10 30 GGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000661245963 567360196 /nfs/dbraw/zinc/36/01/96/567360196.db2.gz SSQCSFKTYXYFDJ-IYBDPMFKSA-N 0 0 382.913 3.396 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)N2Cc3ccccc3C2)C1 ZINC000592762517 567360252 /nfs/dbraw/zinc/36/02/52/567360252.db2.gz XRLWHSINZGSQEQ-UHFFFAOYSA-N 0 0 382.261 3.299 10 30 GGEERN CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000592755846 567360449 /nfs/dbraw/zinc/36/04/49/567360449.db2.gz CFJWURUMQBBSDE-QZTJIDSGSA-N 0 0 390.325 3.171 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)N(CC(F)F)C2CC2)C1 ZINC000592760980 567360651 /nfs/dbraw/zinc/36/06/51/567360651.db2.gz JUPOKGOHOFXDPN-UHFFFAOYSA-N 0 0 384.224 3.013 10 30 GGEERN C[C@H](c1ccncc1)N(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592754629 567360702 /nfs/dbraw/zinc/36/07/02/567360702.db2.gz CNQHLCNEFCYWBA-CYBMUJFWSA-N 0 0 399.292 3.372 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)NCCc2ccsc2)C1 ZINC000592749081 567360968 /nfs/dbraw/zinc/36/09/68/567360968.db2.gz BOMKCHBXOLFXTO-UHFFFAOYSA-N 0 0 390.306 3.177 10 30 GGEERN C[C@H](c1ccccn1)N(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592755685 567360984 /nfs/dbraw/zinc/36/09/84/567360984.db2.gz WRLCKRVXCGOLDK-CYBMUJFWSA-N 0 0 399.292 3.372 10 30 GGEERN Cc1ccc(CCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)o1 ZINC000592751037 567361119 /nfs/dbraw/zinc/36/11/19/567361119.db2.gz HLBXFVFDZHVBRN-UHFFFAOYSA-N 0 0 388.265 3.017 10 30 GGEERN Cc1ncc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)s1 ZINC000592779210 567361910 /nfs/dbraw/zinc/36/19/10/567361910.db2.gz ODXBHIZSESLMAK-UHFFFAOYSA-N 0 0 377.267 3.161 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)NC2CCC(F)(F)CC2)C1 ZINC000592778207 567362139 /nfs/dbraw/zinc/36/21/39/567362139.db2.gz IDXRIWZFNXHAPR-UHFFFAOYSA-N 0 0 398.251 3.451 10 30 GGEERN Cc1ccncc1[C@H](C)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592783429 567362151 /nfs/dbraw/zinc/36/21/51/567362151.db2.gz QIGXLJNDYNQXFR-ZDUSSCGKSA-N 0 0 399.292 3.338 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC(C(F)F)CC2)C1 ZINC000592776286 567362445 /nfs/dbraw/zinc/36/24/45/567362445.db2.gz PTRCUBAUZMTKJW-UHFFFAOYSA-N 0 0 398.251 3.261 10 30 GGEERN N#Cc1ccc(CN2CC[C@H](NCc3ccsc3Br)C2=O)cc1 ZINC000527698777 567362465 /nfs/dbraw/zinc/36/24/65/567362465.db2.gz DIIRYRPCJQOEPQ-HNNXBMFYSA-N 0 0 390.306 3.273 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H]2CCCC(F)(F)C2)C1 ZINC000592776556 567362676 /nfs/dbraw/zinc/36/26/76/567362676.db2.gz VYGXWHSXHMYSPY-CQSZACIVSA-N 0 0 398.251 3.451 10 30 GGEERN C[C@@H](Cc1ccc(Br)cc1)NS(=O)(=O)c1ccc(C#N)s1 ZINC000435427505 567363261 /nfs/dbraw/zinc/36/32/61/567363261.db2.gz NEPDAFQNXRJZPJ-JTQLQIEISA-N 0 0 385.308 3.292 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H]2CCC(F)(F)C2)C1 ZINC000592797499 567363760 /nfs/dbraw/zinc/36/37/60/567363760.db2.gz YVAFCOGJXXZXNL-NSHDSACASA-N 0 0 398.251 3.309 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)NCCC2(F)CCC2)C1 ZINC000592800003 567363989 /nfs/dbraw/zinc/36/39/89/567363989.db2.gz QGKPVBJBQTYMEE-UHFFFAOYSA-N 0 0 380.261 3.155 10 30 GGEERN CN(C)C[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccc(Cl)cc1 ZINC000548977097 567364082 /nfs/dbraw/zinc/36/40/82/567364082.db2.gz OTCRNZZQNFRJHO-KRWDZBQOSA-N 0 0 398.315 3.446 10 30 GGEERN CN(C)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccc(Cl)cc1 ZINC000548977098 567364452 /nfs/dbraw/zinc/36/44/52/567364452.db2.gz OTCRNZZQNFRJHO-QGZVFWFLSA-N 0 0 398.315 3.446 10 30 GGEERN C=C(C)CS(=O)(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000435433035 567365000 /nfs/dbraw/zinc/36/50/00/567365000.db2.gz LXZPQUNIGOPBFJ-UHFFFAOYSA-N 0 0 376.444 3.165 10 30 GGEERN C[C@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)CC(F)F ZINC000592826779 567366730 /nfs/dbraw/zinc/36/67/30/567366730.db2.gz VQMMLVKKYDRUES-JTQLQIEISA-N 0 0 386.240 3.164 10 30 GGEERN COCCN(Cc1ccc(Br)s1)C(=O)c1ccnc(C#N)c1 ZINC000477094608 567370278 /nfs/dbraw/zinc/37/02/78/567370278.db2.gz AJMWQVLYGDGWAT-UHFFFAOYSA-N 0 0 380.267 3.066 10 30 GGEERN N#Cc1cccnc1N1CCN(C(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000527744365 567372064 /nfs/dbraw/zinc/37/20/64/567372064.db2.gz LWTMDMRBFCSJDQ-UHFFFAOYSA-N 0 0 375.259 3.151 10 30 GGEERN CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C1 ZINC000592901574 567372405 /nfs/dbraw/zinc/37/24/05/567372405.db2.gz LDWOURHMKKODDY-CQSZACIVSA-N 0 0 394.180 3.006 10 30 GGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000661419780 567373001 /nfs/dbraw/zinc/37/30/01/567373001.db2.gz QPJVNVYHYACUKE-WQVCFCJDSA-N 0 0 394.313 3.410 10 30 GGEERN C=CCC1(NC(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)CCOCC1 ZINC000640388308 567375557 /nfs/dbraw/zinc/37/55/57/567375557.db2.gz XDKAOJZXYZGYMT-UHFFFAOYSA-N 0 0 386.346 3.439 10 30 GGEERN C[C@@H](NC(=O)c1cc(C#N)ccn1)c1nc(-c2ccc(Br)cc2)no1 ZINC000501276978 567376393 /nfs/dbraw/zinc/37/63/93/567376393.db2.gz SLATXWFSRNVVQI-SNVBAGLBSA-N 0 0 398.220 3.257 10 30 GGEERN CN1CCN(C(=O)Cc2ccc(Br)cc2C#N)[C@@H](c2ccccc2)C1 ZINC000593014621 567378300 /nfs/dbraw/zinc/37/83/00/567378300.db2.gz APVKVSPMNXGBJH-LJQANCHMSA-N 0 0 398.304 3.379 10 30 GGEERN C[C@](CO)(NC(=O)Nc1ccc(F)cc1C#N)c1ccc(Br)cc1 ZINC000477186423 567379228 /nfs/dbraw/zinc/37/92/28/567379228.db2.gz LFBNZTFHAKCPQA-QGZVFWFLSA-N 0 0 392.228 3.489 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)Nc1cccnc1N1CCCC1 ZINC000593030312 567379327 /nfs/dbraw/zinc/37/93/27/567379327.db2.gz NBEWCTIZSYDKOS-UHFFFAOYSA-N 0 0 385.265 3.497 10 30 GGEERN N#Cc1cscc1C(=O)NC[C@H](CO)Cc1cc(Br)ccc1F ZINC000456487282 567379957 /nfs/dbraw/zinc/37/99/57/567379957.db2.gz NGBGSNYQCUGYEH-SNVBAGLBSA-N 0 0 397.269 3.102 10 30 GGEERN C=C(C)C[C@H](C)C(=O)NC[C@@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000456486024 567380363 /nfs/dbraw/zinc/38/03/63/567380363.db2.gz IFSFRGFLZRTCSK-ZFWWWQNUSA-N 0 0 384.314 3.327 10 30 GGEERN N#Cc1cccc(OC2CCN(C(=O)c3nscc3Br)CC2)c1 ZINC000593048495 567380493 /nfs/dbraw/zinc/38/04/93/567380493.db2.gz LPKDNSBLDNXJEU-UHFFFAOYSA-N 0 0 392.278 3.461 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)Nc1nc2c(s1)COCC2 ZINC000593050591 567381028 /nfs/dbraw/zinc/38/10/28/567381028.db2.gz RNFDUBUHZKIWOD-UHFFFAOYSA-N 0 0 378.251 3.031 10 30 GGEERN N#CC1(CS(=O)(=O)N2CCOc3ccc(Br)cc3C2)CCCC1 ZINC000549235469 567381392 /nfs/dbraw/zinc/38/13/92/567381392.db2.gz XVMWJVVXYUFVGE-UHFFFAOYSA-N 0 0 399.310 3.057 10 30 GGEERN CN1CCN(C(=O)Cc2ccc(Br)cc2C#N)c2ccccc2C1 ZINC000593052389 567382309 /nfs/dbraw/zinc/38/23/09/567382309.db2.gz ZKIWVJDNHPWBDD-UHFFFAOYSA-N 0 0 384.277 3.342 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCOC[C@@H]1c1ccco1 ZINC000593062502 567382515 /nfs/dbraw/zinc/38/25/15/567382515.db2.gz ZNLHRVDUBNARIV-OAHLLOKOSA-N 0 0 375.222 3.056 10 30 GGEERN Cc1noc(C)c1C[C@H](C)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593069301 567383831 /nfs/dbraw/zinc/38/38/31/567383831.db2.gz KLALWXWPHDVDOD-JTQLQIEISA-N 0 0 376.254 3.216 10 30 GGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CCOc2c(Br)cccc21 ZINC000569192545 567384927 /nfs/dbraw/zinc/38/49/27/567384927.db2.gz VMEAHUWHEFYMNW-ZNMIVQPWSA-N 0 0 381.270 3.306 10 30 GGEERN COC(=O)[C@H](NC(=O)Cc1ccc(Br)cc1C#N)C1CCCCC1 ZINC000593089119 567385273 /nfs/dbraw/zinc/38/52/73/567385273.db2.gz QQDUMXZIIQWASN-QGZVFWFLSA-N 0 0 393.281 3.101 10 30 GGEERN COC(=O)CC1(NC(=O)Cc2ccc(Br)cc2C#N)CCCCC1 ZINC000593083404 567385285 /nfs/dbraw/zinc/38/52/85/567385285.db2.gz MRDQSMFERMJKSZ-UHFFFAOYSA-N 0 0 393.281 3.245 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000593099372 567385344 /nfs/dbraw/zinc/38/53/44/567385344.db2.gz IVRVPHCVRQDJIV-MRXNPFEDSA-N 0 0 377.282 3.471 10 30 GGEERN C=CCCn1cc(CN2CCOC[C@H]2c2ccc(Br)cc2)nn1 ZINC000661642672 567385918 /nfs/dbraw/zinc/38/59/18/567385918.db2.gz HBQBASCTZAPPJY-KRWDZBQOSA-N 0 0 377.286 3.190 10 30 GGEERN COC(=O)C1(N(C)C(=O)Cc2ccc(Br)cc2C#N)CCCCC1 ZINC000593108461 567386861 /nfs/dbraw/zinc/38/68/61/567386861.db2.gz POAZXTHLIDZWSH-UHFFFAOYSA-N 0 0 393.281 3.198 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NCCSCC(F)(F)F ZINC000593114390 567387234 /nfs/dbraw/zinc/38/72/34/567387234.db2.gz ZZKUEMHSJMPJDZ-UHFFFAOYSA-N 0 0 381.217 3.275 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000593103572 567387368 /nfs/dbraw/zinc/38/73/68/567387368.db2.gz SHWNUNPNAXGFDI-CGTJXYLNSA-N 0 0 389.293 3.327 10 30 GGEERN CN(C(=O)Cc1ccc(Br)cc1C#N)[C@@H]1CCCc2c1cnn2C ZINC000593104657 567387437 /nfs/dbraw/zinc/38/74/37/567387437.db2.gz HELNRXUWTGJFSO-MRXNPFEDSA-N 0 0 387.281 3.133 10 30 GGEERN C[C@H]1N(C(=O)Cc2ccc(Br)cc2C#N)CCC12CCOCC2 ZINC000593126187 567387860 /nfs/dbraw/zinc/38/78/60/567387860.db2.gz GTJKRRLEYDYQLB-CYBMUJFWSA-N 0 0 377.282 3.281 10 30 GGEERN COCC[C@@H](Cc1ccco1)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593121918 567388146 /nfs/dbraw/zinc/38/81/46/567388146.db2.gz FBNFTTYLTQPBJH-INIZCTEOSA-N 0 0 391.265 3.220 10 30 GGEERN Cc1cc(=NC(=O)Cc2ccc(Br)cc2C#N)[nH]n1[C@@H](C)C1CC1 ZINC000593123749 567388757 /nfs/dbraw/zinc/38/87/57/567388757.db2.gz OHEZQFHYYMHQQS-LBPRGKRZSA-N 0 0 387.281 3.400 10 30 GGEERN COCC[C@H](NC(=O)Cc1ccc(Br)cc1C#N)c1ccco1 ZINC000593125664 567388981 /nfs/dbraw/zinc/38/89/81/567388981.db2.gz ZBNAJDMNZWHUSS-HNNXBMFYSA-N 0 0 377.238 3.350 10 30 GGEERN O=C(NCCO[C@@H]1CC1(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000661681331 567389004 /nfs/dbraw/zinc/38/90/04/567389004.db2.gz KQBBOJGAZHKNJF-IWSPIJDZSA-N 0 0 384.267 3.183 10 30 GGEERN Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1nn(C)cc1Br ZINC000549391836 567389876 /nfs/dbraw/zinc/38/98/76/567389876.db2.gz PNXDEDOSZDPJDC-UHFFFAOYSA-N 0 0 391.656 3.379 10 30 GGEERN CCOC(=O)[C@@H](CC)N(C(=O)Cc1ccc(Br)cc1C#N)C1CC1 ZINC000593139554 567390222 /nfs/dbraw/zinc/39/02/22/567390222.db2.gz BISCMIYRTGNSQW-MRXNPFEDSA-N 0 0 393.281 3.196 10 30 GGEERN Cn1nc([C@@H]2CCCO2)cc1NC(=O)Cc1ccc(Br)cc1C#N ZINC000593141738 567390414 /nfs/dbraw/zinc/39/04/14/567390414.db2.gz VZZDDWWEQNILCI-HNNXBMFYSA-N 0 0 389.253 3.087 10 30 GGEERN Cn1nccc1[C@@H]1CCCCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593147485 567390463 /nfs/dbraw/zinc/39/04/63/567390463.db2.gz NJYIIFYAKJYYCJ-KRWDZBQOSA-N 0 0 387.281 3.351 10 30 GGEERN CC(C)[C@@H](CNC(=O)Cc1ccc(Br)cc1C#N)c1ccnn1C ZINC000593140717 567390466 /nfs/dbraw/zinc/39/04/66/567390466.db2.gz TYXPEBHYTOOVOJ-MRXNPFEDSA-N 0 0 389.297 3.153 10 30 GGEERN Cc1cccc2c1OC[C@@H](NC(=O)Cc1ccc(Br)cc1C#N)C2 ZINC000593159724 567390783 /nfs/dbraw/zinc/39/07/83/567390783.db2.gz IJDGWSGQLQBMSN-KRWDZBQOSA-N 0 0 385.261 3.292 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC2(CCOCC2)CC1 ZINC000593150841 567391127 /nfs/dbraw/zinc/39/11/27/567391127.db2.gz JBWCOBKCMJKMLA-UHFFFAOYSA-N 0 0 377.282 3.282 10 30 GGEERN CC1(C)CN(C(=O)Cc2ccc(Br)cc2C#N)[C@H]1[C@H]1CCCO1 ZINC000593158478 567391142 /nfs/dbraw/zinc/39/11/42/567391142.db2.gz XXTLOWIEHJXJEM-WBVHZDCISA-N 0 0 377.282 3.279 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000593160354 567391439 /nfs/dbraw/zinc/39/14/39/567391439.db2.gz ONKYKYGSSMOFIF-HNNXBMFYSA-N 0 0 393.672 3.187 10 30 GGEERN C=CCCn1cc(CN2CCOC[C@H]2c2cccc(Br)c2)nn1 ZINC000661734221 567391856 /nfs/dbraw/zinc/39/18/56/567391856.db2.gz SYMMUKYMGMMHCN-KRWDZBQOSA-N 0 0 377.286 3.190 10 30 GGEERN CC(C)CN(Cc1cnn(C)c1)C(=O)Cc1ccc(Br)cc1C#N ZINC000593171807 567392186 /nfs/dbraw/zinc/39/21/86/567392186.db2.gz WAMXMSPBJUBJKF-UHFFFAOYSA-N 0 0 389.297 3.282 10 30 GGEERN CO[C@H]1C[C@H](N(C)C(=O)Cc2ccc(Br)cc2C#N)C12CCC2 ZINC000593169280 567392516 /nfs/dbraw/zinc/39/25/16/567392516.db2.gz QQGJSNMOKHPONY-HOTGVXAUSA-N 0 0 377.282 3.279 10 30 GGEERN CO[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(Br)cc2C#N)C12CCC2 ZINC000593169279 567392825 /nfs/dbraw/zinc/39/28/25/567392825.db2.gz QQGJSNMOKHPONY-CVEARBPZSA-N 0 0 377.282 3.279 10 30 GGEERN COCCCn1cc(C)c(NC(=O)Cc2ccc(Br)cc2C#N)n1 ZINC000593166520 567392875 /nfs/dbraw/zinc/39/28/75/567392875.db2.gz ACGRCXCYJZTDPJ-UHFFFAOYSA-N 0 0 391.269 3.043 10 30 GGEERN CO[C@H]1c2ccccc2C[C@H]1NC(=O)Cc1ccc(Br)cc1C#N ZINC000593172590 567392964 /nfs/dbraw/zinc/39/29/64/567392964.db2.gz BEMXIWBVAAIUOM-MJGOQNOKSA-N 0 0 385.261 3.292 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCOC[C@@H]1CC1CCC1 ZINC000593165356 567392989 /nfs/dbraw/zinc/39/29/89/567392989.db2.gz DWNVHOFXAMOZCR-KRWDZBQOSA-N 0 0 377.282 3.281 10 30 GGEERN C=CC[C@H](C)NS(=O)(=O)c1cc(Br)ccc1OCCOCC ZINC000501526467 567393816 /nfs/dbraw/zinc/39/38/16/567393816.db2.gz YSCPCSQBZDPJLV-LBPRGKRZSA-N 0 0 392.315 3.107 10 30 GGEERN C=CCOCCCNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000618515403 567394996 /nfs/dbraw/zinc/39/49/96/567394996.db2.gz VRRDOFVTWHGXFG-INIZCTEOSA-N 0 0 385.291 3.307 10 30 GGEERN C=CCOCCCNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000618515551 567395493 /nfs/dbraw/zinc/39/54/93/567395493.db2.gz WLPCQDBWXYSPGX-MRXNPFEDSA-N 0 0 385.291 3.307 10 30 GGEERN N#CC1(CS(=O)(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CCC1 ZINC000477477847 567396090 /nfs/dbraw/zinc/39/60/90/567396090.db2.gz RGHHDTHPZNCXJD-LLVKDONJSA-N 0 0 393.456 3.365 10 30 GGEERN C=CCOCCCNC(=O)c1cnc2c(Cl)cc(Br)cc2c1O ZINC000618524547 567396273 /nfs/dbraw/zinc/39/62/73/567396273.db2.gz JMYFSARKUCXKPN-UHFFFAOYSA-N 0 0 399.672 3.267 10 30 GGEERN C=CCOCCCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000618524856 567396632 /nfs/dbraw/zinc/39/66/32/567396632.db2.gz SPVHVDJNJJNZMS-DYVFJYSZSA-N 0 0 385.291 3.222 10 30 GGEERN C=C(C)CS(=O)(=O)N[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477469659 567396523 /nfs/dbraw/zinc/39/65/23/567396523.db2.gz PJBAPOULIWZTOM-WBVHZDCISA-N 0 0 388.892 3.025 10 30 GGEERN N#CC1(CS(=O)(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)CCC1 ZINC000477468109 567396678 /nfs/dbraw/zinc/39/66/78/567396678.db2.gz QUYCNRFDVYJMEN-CQSZACIVSA-N 0 0 379.551 3.225 10 30 GGEERN N#Cc1cncnc1N1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000569335610 567396876 /nfs/dbraw/zinc/39/68/76/567396876.db2.gz ZANRBBPUFBZJTP-ZDUSSCGKSA-N 0 0 390.228 3.022 10 30 GGEERN Cc1ccc2c(ncc(C#N)c2NC[C@H](O)[C@@H]2CCCO2)c1Br ZINC000528134031 567397360 /nfs/dbraw/zinc/39/73/60/567397360.db2.gz FHTAIYJNDHZQOI-KBPBESRZSA-N 0 0 376.254 3.129 10 30 GGEERN C[C@H](Cc1cc(Br)ccc1F)NS(=O)(=O)CC1(C#N)CCC1 ZINC000477484187 567397488 /nfs/dbraw/zinc/39/74/88/567397488.db2.gz XTIXXCZPBJPEMZ-LLVKDONJSA-N 0 0 389.290 3.132 10 30 GGEERN N#CC1(CS(=O)(=O)NCc2ccc(Br)cc2Cl)CCC1 ZINC000477508719 567399276 /nfs/dbraw/zinc/39/92/76/567399276.db2.gz PLVPLCQEUMJTHX-UHFFFAOYSA-N 0 0 377.691 3.216 10 30 GGEERN N#CC1(CN2C(=O)[C@@H]3Cc4c(Br)cccc4CN3C2=O)CCCC1 ZINC000593232349 567400074 /nfs/dbraw/zinc/40/00/74/567400074.db2.gz PAJIYJMHAUSGIB-HNNXBMFYSA-N 0 0 388.265 3.222 10 30 GGEERN N#Cc1ccnc(NC(=O)[C@@H](c2ccc(Br)cc2)N2CCCC2)c1 ZINC000436002244 567400304 /nfs/dbraw/zinc/40/03/04/567400304.db2.gz PGHSESGEXUJQIT-QGZVFWFLSA-N 0 0 385.265 3.491 10 30 GGEERN Cc1cc(N2C[C@@H](C(=O)Nc3cc(C#N)ccn3)CC2=O)ccc1Br ZINC000436004926 567400506 /nfs/dbraw/zinc/40/05/06/567400506.db2.gz FLWXJQVIRXYTIW-ZDUSSCGKSA-N 0 0 399.248 3.016 10 30 GGEERN Cc1c(C(=O)Nc2cc(C#N)ccn2)cnn1-c1ccc(Br)cc1 ZINC000436017089 567400717 /nfs/dbraw/zinc/40/07/17/567400717.db2.gz WNPHHWCAKKXGEP-UHFFFAOYSA-N 0 0 382.221 3.462 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N[C@@H](C1CC1)C1CCOCC1 ZINC000593278487 567402520 /nfs/dbraw/zinc/40/25/20/567402520.db2.gz OMLZSQCPQINSRB-SFHVURJKSA-N 0 0 377.282 3.185 10 30 GGEERN N#Cc1ccc(OCC(=O)N[C@H](C2CC2)C2CCOCC2)cc1Br ZINC000593279962 567403147 /nfs/dbraw/zinc/40/31/47/567403147.db2.gz OCWZQOZMDSASPL-GOSISDBHSA-N 0 0 393.281 3.021 10 30 GGEERN C=CCCCNC(=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000477590180 567403788 /nfs/dbraw/zinc/40/37/88/567403788.db2.gz KXAJTECFEIWHPU-UHFFFAOYSA-N 0 0 379.298 3.069 10 30 GGEERN N#Cc1ccc(OCC(=O)N[C@@H](C2CC2)C2CCOCC2)cc1Br ZINC000593279963 567403850 /nfs/dbraw/zinc/40/38/50/567403850.db2.gz OCWZQOZMDSASPL-SFHVURJKSA-N 0 0 393.281 3.021 10 30 GGEERN CCCCCNC(=O)Cc1noc(Cc2ccc(Br)cc2C#N)n1 ZINC000593297541 567404762 /nfs/dbraw/zinc/40/47/62/567404762.db2.gz DJOIUSMLSRYTEA-UHFFFAOYSA-N 0 0 391.269 3.143 10 30 GGEERN CC(C)(C)OC(=O)Cc1noc(Cc2ccc(Br)cc2C#N)n1 ZINC000593298731 567404806 /nfs/dbraw/zinc/40/48/06/567404806.db2.gz DLXLQIPTKCIZCZ-UHFFFAOYSA-N 0 0 378.226 3.179 10 30 GGEERN N#Cc1ccc(Cn2cc(Br)c3ncncc3c2=O)c(Cl)c1 ZINC000618644824 567405053 /nfs/dbraw/zinc/40/50/53/567405053.db2.gz FTZHQHVQYICRPT-UHFFFAOYSA-N 0 0 375.613 3.127 10 30 GGEERN C=CCn1c(COCC)nnc1N1CCc2ccc(F)c(Br)c2C1 ZINC000528294092 567408536 /nfs/dbraw/zinc/40/85/36/567408536.db2.gz IXDMJMFLODNQKP-UHFFFAOYSA-N 0 0 395.276 3.465 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000593396524 567410058 /nfs/dbraw/zinc/41/00/58/567410058.db2.gz ARACJHLRLALHAZ-SFHVURJKSA-N 0 0 385.261 3.463 10 30 GGEERN N#CC1(CNC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CCCC1 ZINC000593426102 567411603 /nfs/dbraw/zinc/41/16/03/567411603.db2.gz ZXIYTSZDYODDDX-UHFFFAOYSA-N 0 0 382.295 3.304 10 30 GGEERN CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)NCC2(C#N)CCCC2)c1 ZINC000593414375 567412169 /nfs/dbraw/zinc/41/21/69/567412169.db2.gz MQZSVKDFHPEGIB-UHFFFAOYSA-N 0 0 383.901 3.017 10 30 GGEERN N#CC1(CNC(=O)N[C@H]2COc3cc(F)c(Br)cc32)CCCC1 ZINC000593402111 567412239 /nfs/dbraw/zinc/41/22/39/567412239.db2.gz HLNKTYNKCPTWEB-ZDUSSCGKSA-N 0 0 382.233 3.405 10 30 GGEERN CCOC(=O)C1CCC(NC(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593415771 567412435 /nfs/dbraw/zinc/41/24/35/567412435.db2.gz QLRCBAJSQLCZET-UHFFFAOYSA-N 0 0 393.281 3.101 10 30 GGEERN Cc1c(Br)cccc1C[C@H](CO)CNC(=O)c1cscc1C#N ZINC000456736589 567413030 /nfs/dbraw/zinc/41/30/30/567413030.db2.gz XDKDAHKMNJTXSF-LBPRGKRZSA-N 0 0 393.306 3.272 10 30 GGEERN N#Cc1cccnc1N1CCN(Cc2ccc(Br)c(F)c2F)CC1 ZINC000528341446 567413641 /nfs/dbraw/zinc/41/36/41/567413641.db2.gz NJZDSTZQSRBATJ-UHFFFAOYSA-N 0 0 393.235 3.316 10 30 GGEERN N#Cc1ccc(N2CCN(Cc3ccc(Br)c(F)c3F)CC2)nc1 ZINC000528357073 567414882 /nfs/dbraw/zinc/41/48/82/567414882.db2.gz IQOWCHWNUSZSHQ-UHFFFAOYSA-N 0 0 393.235 3.316 10 30 GGEERN CCn1c(Cn2cc(Br)cc(C#N)c2=O)nc2cc(F)ccc21 ZINC000569627773 567418077 /nfs/dbraw/zinc/41/80/77/567418077.db2.gz VVUGRQXFFHRZKX-UHFFFAOYSA-N 0 0 375.201 3.039 10 30 GGEERN C[C@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)C[C@H](C(F)(F)F)O1 ZINC000593497218 567419032 /nfs/dbraw/zinc/41/90/32/567419032.db2.gz SZAQIQFNPFBXFD-TVQRCGJNSA-N 0 0 391.187 3.041 10 30 GGEERN C[C@@H](NS(=O)(=O)c1ccsc1C#N)c1ccc(NC(=O)C2CC2)cc1 ZINC000593528548 567420419 /nfs/dbraw/zinc/42/04/19/567420419.db2.gz CYRYZZJXNNRBFB-LLVKDONJSA-N 0 0 375.475 3.008 10 30 GGEERN COCCN(Cc1cccs1)S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593530883 567420461 /nfs/dbraw/zinc/42/04/61/567420461.db2.gz NNNLHRZORDWTKZ-UHFFFAOYSA-N 0 0 378.519 3.387 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NC[C@@H](CCO)c1ccccc1 ZINC000593515580 567420630 /nfs/dbraw/zinc/42/06/30/567420630.db2.gz HHSDGQWAYKMXCS-MRXNPFEDSA-N 0 0 387.277 3.146 10 30 GGEERN CN(C)[C@H](CNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)c1cccs1 ZINC000593525465 567420873 /nfs/dbraw/zinc/42/08/73/567420873.db2.gz RHEKAAOBYFEWPD-MRXNPFEDSA-N 0 0 377.535 3.130 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000593531447 567421054 /nfs/dbraw/zinc/42/10/54/567421054.db2.gz SFWVCGFPJOFXEP-UHFFFAOYSA-N 0 0 395.937 3.170 10 30 GGEERN CCOc1ccc([C@H](C)NS(=O)(=O)c2ccsc2C#N)cc1OCC ZINC000593524811 567421234 /nfs/dbraw/zinc/42/12/34/567421234.db2.gz AROBLPDIEAAMOQ-LBPRGKRZSA-N 0 0 380.491 3.457 10 30 GGEERN COCCSc1ccc([C@H](C)NS(=O)(=O)c2ccsc2C#N)cc1 ZINC000593544016 567422071 /nfs/dbraw/zinc/42/20/71/567422071.db2.gz SUSDGTJFDFPWOL-LBPRGKRZSA-N 0 0 382.532 3.398 10 30 GGEERN Cc1nsc(N2CCN(c3c(Br)cc(Cl)cc3C#N)CC2)n1 ZINC000618898189 567422111 /nfs/dbraw/zinc/42/21/11/567422111.db2.gz VMKVWZOWBKEGFX-UHFFFAOYSA-N 0 0 398.717 3.461 10 30 GGEERN COc1ccccc1SC[C@@H](C)CNS(=O)(=O)c1ccsc1C#N ZINC000593544352 567422101 /nfs/dbraw/zinc/42/21/01/567422101.db2.gz RPXLWQQSGQMFDX-LBPRGKRZSA-N 0 0 382.532 3.335 10 30 GGEERN N#CC1(CS(=O)(=O)NCCc2ccc(Br)cc2Cl)CCC1 ZINC000549983923 567422516 /nfs/dbraw/zinc/42/25/16/567422516.db2.gz WQHGDKMFMJAUBB-UHFFFAOYSA-N 0 0 391.718 3.258 10 30 GGEERN COc1ccccc1SC[C@H](C)CNS(=O)(=O)c1ccsc1C#N ZINC000593544351 567422653 /nfs/dbraw/zinc/42/26/53/567422653.db2.gz RPXLWQQSGQMFDX-GFCCVEGCSA-N 0 0 382.532 3.335 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N[C@@H](CCCO)c1ccccc1 ZINC000593533020 567422710 /nfs/dbraw/zinc/42/27/10/567422710.db2.gz ICOHUSBAPVJAOY-SFHVURJKSA-N 0 0 387.277 3.493 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000593542417 567422716 /nfs/dbraw/zinc/42/27/16/567422716.db2.gz WURXQTCGJWONQR-ZDUSSCGKSA-N 0 0 386.857 3.174 10 30 GGEERN C=CC[C@@H]1CCCN(S(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CC3)C1 ZINC000528432149 567423253 /nfs/dbraw/zinc/42/32/53/567423253.db2.gz OOOMWLRVQHMIMQ-CQSZACIVSA-N 0 0 382.913 3.226 10 30 GGEERN C[C@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593557591 567423465 /nfs/dbraw/zinc/42/34/65/567423465.db2.gz SPXRPLLELPAEMO-CYBMUJFWSA-N 0 0 395.937 3.341 10 30 GGEERN CC(C)(C#N)c1ccc(S(=O)(=O)N2CCO[C@@H](c3cccs3)C2)cc1 ZINC000593562895 567423732 /nfs/dbraw/zinc/42/37/32/567423732.db2.gz PWEYBFIHSAKVOH-MRXNPFEDSA-N 0 0 376.503 3.311 10 30 GGEERN Cc1ccc([C@H]2OCCC[C@@H]2CNS(=O)(=O)c2ccsc2C#N)cc1 ZINC000593552703 567423746 /nfs/dbraw/zinc/42/37/46/567423746.db2.gz HONFTZVXCKPGPD-CRAIPNDOSA-N 0 0 376.503 3.374 10 30 GGEERN Cc1ccc(C)c([C@@H]2CN(S(=O)(=O)c3ccsc3C#N)[C@@H](C)CO2)c1 ZINC000593556427 567423914 /nfs/dbraw/zinc/42/39/14/567423914.db2.gz LPKGNKHVZCGTGV-HOCLYGCPSA-N 0 0 376.503 3.387 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000593548476 567423966 /nfs/dbraw/zinc/42/39/66/567423966.db2.gz YTXXXHVFVXOSLG-UHFFFAOYSA-N 0 0 378.319 3.125 10 30 GGEERN CO[C@H](C)c1nc(CNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cs1 ZINC000593561194 567424043 /nfs/dbraw/zinc/42/40/43/567424043.db2.gz YHHXWJSWFIVTSR-GFCCVEGCSA-N 0 0 379.507 3.130 10 30 GGEERN CC[C@@](C)(COc1ncccc1Cl)NS(=O)(=O)c1ccsc1C#N ZINC000593567159 567425048 /nfs/dbraw/zinc/42/50/48/567425048.db2.gz OXIMFCMUKUQOAJ-HNNXBMFYSA-N 0 0 385.898 3.194 10 30 GGEERN CN([C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)S(=O)(=O)c1ccsc1C#N ZINC000593575562 567425256 /nfs/dbraw/zinc/42/52/56/567425256.db2.gz HREORUOBDGUENA-HUUCEWRRSA-N 0 0 380.466 3.300 10 30 GGEERN CC(C)(C#N)c1ccc(S(=O)(=O)NCCOc2ccccc2Cl)cc1 ZINC000593566269 567425379 /nfs/dbraw/zinc/42/53/79/567425379.db2.gz KHOQZSVNBJZESO-UHFFFAOYSA-N 0 0 378.881 3.498 10 30 GGEERN CCSc1cc(CNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)ccn1 ZINC000593581124 567425710 /nfs/dbraw/zinc/42/57/10/567425710.db2.gz MXHJDWPUOBYWMM-UHFFFAOYSA-N 0 0 375.519 3.473 10 30 GGEERN COc1ccccc1[C@H](CNS(=O)(=O)c1ccsc1C#N)OC(C)C ZINC000593578056 567425731 /nfs/dbraw/zinc/42/57/31/567425731.db2.gz JVSANBPZZQLGAC-HNNXBMFYSA-N 0 0 380.491 3.073 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N1CCc2sc(Br)cc2C1 ZINC000593566210 567425854 /nfs/dbraw/zinc/42/58/54/567425854.db2.gz LEPYWFKJEZEBGA-UHFFFAOYSA-N 0 0 389.321 3.191 10 30 GGEERN C[C@@H](c1ccccc1)[C@H](CO)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593576184 567425879 /nfs/dbraw/zinc/42/58/79/567425879.db2.gz RLZHSSXXDXFANO-UGSOOPFHSA-N 0 0 387.277 3.144 10 30 GGEERN CC(C)(C#N)c1ccc(S(=O)(=O)N2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000593564160 567425911 /nfs/dbraw/zinc/42/59/11/567425911.db2.gz XSGJXSCCTXVQGP-QGZVFWFLSA-N 0 0 376.503 3.311 10 30 GGEERN CN(Cc1ccc(OCC(F)(F)F)cc1)S(=O)(=O)c1ccsc1C#N ZINC000593599824 567426557 /nfs/dbraw/zinc/42/65/57/567426557.db2.gz XFEQRWZHSAVCQI-UHFFFAOYSA-N 0 0 390.408 3.382 10 30 GGEERN Cc1cc(C2CCN(C(=O)Cc3ccc(Br)cc3C#N)CC2)[nH]n1 ZINC000593582886 567426857 /nfs/dbraw/zinc/42/68/57/567426857.db2.gz DQYFRFVZKJPIEJ-UHFFFAOYSA-N 0 0 387.281 3.301 10 30 GGEERN CC(C)(C)CCOc1cnccc1CNS(=O)(=O)c1ccsc1C#N ZINC000593597210 567427006 /nfs/dbraw/zinc/42/70/06/567427006.db2.gz VRIOEOIIWZHCHQ-UHFFFAOYSA-N 0 0 379.507 3.308 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)N[C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c(F)c1 ZINC000528467376 567427597 /nfs/dbraw/zinc/42/75/97/567427597.db2.gz VOUPYGKUOQKFJE-BPQIPLTHSA-N 0 0 376.840 3.108 10 30 GGEERN CCC1(CC)CN(C(=O)Cc2ccc(Br)cc2C#N)CC[S@@]1=O ZINC000593613355 567427819 /nfs/dbraw/zinc/42/78/19/567427819.db2.gz SNSHNQIVNLXHMV-QHCPKHFHSA-N 0 0 397.338 3.013 10 30 GGEERN C[C@](CO)(NC(=O)Cc1ccc(Br)cc1C#N)C1CCCCC1 ZINC000593608833 567428103 /nfs/dbraw/zinc/42/81/03/567428103.db2.gz MVHQOASNNOQYMW-GOSISDBHSA-N 0 0 379.298 3.311 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N1CCC[C@H]1c1ccc(Br)cn1 ZINC000593609790 567428324 /nfs/dbraw/zinc/42/83/24/567428324.db2.gz ZIXDMNPKXNQTGH-LBPRGKRZSA-N 0 0 398.307 3.303 10 30 GGEERN COCCCOc1ccc(Cl)cc1S(=O)(=O)NCC1(C#N)CCCC1 ZINC000593620577 567428334 /nfs/dbraw/zinc/42/83/34/567428334.db2.gz QQLCBFZSWRBHEY-UHFFFAOYSA-N 0 0 386.901 3.118 10 30 GGEERN C[C@@](CO)(NC(=O)Cc1ccc(Br)cc1C#N)C1CCCCC1 ZINC000593608839 567428652 /nfs/dbraw/zinc/42/86/52/567428652.db2.gz MVHQOASNNOQYMW-SFHVURJKSA-N 0 0 379.298 3.311 10 30 GGEERN C[C@]1(Br)C[C@@H]1C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000528489299 567428704 /nfs/dbraw/zinc/42/87/04/567428704.db2.gz HNSHGIFMQJGJOC-MDZLAQPJSA-N 0 0 377.160 3.440 10 30 GGEERN CCC(C)(C)OC1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000528488485 567429070 /nfs/dbraw/zinc/42/90/70/567429070.db2.gz MNIOVYYNQBRRDZ-UHFFFAOYSA-N 0 0 376.400 3.155 10 30 GGEERN N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000593627165 567429418 /nfs/dbraw/zinc/42/94/18/567429418.db2.gz UEENTFHKIZRJDC-UHFFFAOYSA-N 0 0 382.766 3.267 10 30 GGEERN Cn1cc(Br)c2ccc(S(=O)(=O)NCC3(C#N)CCCC3)cc21 ZINC000593623704 567429658 /nfs/dbraw/zinc/42/96/58/567429658.db2.gz NXXJHGSCBZFLNV-UHFFFAOYSA-N 0 0 396.310 3.303 10 30 GGEERN N#CC1(CNS(=O)(=O)c2cccc(Cl)c2Br)CCCC1 ZINC000593623050 567430173 /nfs/dbraw/zinc/43/01/73/567430173.db2.gz HWNCBWOWJFYIFZ-UHFFFAOYSA-N 0 0 377.691 3.465 10 30 GGEERN Cc1cc(CN(Cc2ccc(C#N)s2)C2CC2)cc(S(N)(=O)=O)c1C ZINC000593670048 567432589 /nfs/dbraw/zinc/43/25/89/567432589.db2.gz IGXNBQRZIDACKI-UHFFFAOYSA-N 0 0 375.519 3.049 10 30 GGEERN N#CC1(CNCc2cc(I)cc([N+](=O)[O-])c2)CCCC1 ZINC000593654479 567432722 /nfs/dbraw/zinc/43/27/22/567432722.db2.gz CYMRAPHWUWGLPA-UHFFFAOYSA-N 0 0 385.205 3.373 10 30 GGEERN Cc1ccc(F)c(Br)c1NC(=O)C(=O)NCC1(C#N)CCCC1 ZINC000593675278 567434460 /nfs/dbraw/zinc/43/44/60/567434460.db2.gz OUNRXJIFVYPVDQ-UHFFFAOYSA-N 0 0 382.233 3.035 10 30 GGEERN Cc1cc(F)c(Br)cc1NC(=O)C(=O)NCC1(C#N)CCCC1 ZINC000593674088 567434950 /nfs/dbraw/zinc/43/49/50/567434950.db2.gz RKQQVRHGOQLDQD-UHFFFAOYSA-N 0 0 382.233 3.035 10 30 GGEERN C=CCC1(NC(=O)c2ccc(-n3cc(Br)cn3)nn2)CCCC1 ZINC000619107471 567435210 /nfs/dbraw/zinc/43/52/10/567435210.db2.gz BXQZBVDNDSKNCA-UHFFFAOYSA-N 0 0 376.258 3.044 10 30 GGEERN C=CCNS(=O)(=O)c1ccccc1N[C@@H]1CCOC2(CCSCC2)C1 ZINC000641448636 567436094 /nfs/dbraw/zinc/43/60/94/567436094.db2.gz IJDPTWWBOSLEHW-OAHLLOKOSA-N 0 0 382.551 3.008 10 30 GGEERN Cc1c(NC(=O)C(=O)NC2(C3CCC3)CC2)ccc(Br)c1C#N ZINC000593700829 567436484 /nfs/dbraw/zinc/43/64/84/567436484.db2.gz BLBTXBBDWLPWCY-UHFFFAOYSA-N 0 0 376.254 3.017 10 30 GGEERN N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)c1 ZINC000528554702 567437203 /nfs/dbraw/zinc/43/72/03/567437203.db2.gz KCAXAJWRLBNSMX-FHLIZLRMSA-N 0 0 376.840 3.108 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCN[C@H](c2ccccc2)C1 ZINC000593737256 567437181 /nfs/dbraw/zinc/43/71/81/567437181.db2.gz HNIYPGFLQKIAEG-SFHVURJKSA-N 0 0 384.277 3.036 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000593734364 567437551 /nfs/dbraw/zinc/43/75/51/567437551.db2.gz GBJNJDGEJLMZFC-KSZLIROESA-N 0 0 391.309 3.405 10 30 GGEERN N#Cc1ccc(NC(=O)NCc2cc(Br)cnc2N)c(Cl)c1 ZINC000478135105 567438255 /nfs/dbraw/zinc/43/82/55/567438255.db2.gz DRBZDLLOBWPFTC-UHFFFAOYSA-N 0 0 380.633 3.103 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)c(F)c1 ZINC000528557667 567438743 /nfs/dbraw/zinc/43/87/43/567438743.db2.gz PUFTUAKXIPCDCD-FHLIZLRMSA-N 0 0 376.840 3.108 10 30 GGEERN N#Cc1cc(F)ccc1CS(=O)(=O)N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000528557683 567439083 /nfs/dbraw/zinc/43/90/83/567439083.db2.gz PXQKSRAYUCXMNE-CGTJXYLNSA-N 0 0 376.840 3.108 10 30 GGEERN COc1ccc(Cl)cc1CN(C)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000478155117 567439269 /nfs/dbraw/zinc/43/92/69/567439269.db2.gz MTEZEMTZWKUFPK-UHFFFAOYSA-N 0 0 382.844 3.321 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)NCc2coc(-c3cccs3)n2)c(F)c1 ZINC000478148980 567439527 /nfs/dbraw/zinc/43/95/27/567439527.db2.gz MDIRLERIBZYSHJ-UHFFFAOYSA-N 0 0 377.422 3.033 10 30 GGEERN Cc1cc(NC(=O)CNC(=O)c2cscc2C#N)ccc1Br ZINC000550333024 567441931 /nfs/dbraw/zinc/44/19/31/567441931.db2.gz SBMVLALVJVUFSP-UHFFFAOYSA-N 0 0 378.251 3.059 10 30 GGEERN CCc1ccncc1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000593857217 567443453 /nfs/dbraw/zinc/44/34/53/567443453.db2.gz WSWAKJLQQKSYGX-UHFFFAOYSA-N 0 0 385.265 3.353 10 30 GGEERN N#Cc1cc(NC(=O)C(=O)NC/C=C\c2ccccc2)ccc1Br ZINC000550418326 567445947 /nfs/dbraw/zinc/44/59/47/567445947.db2.gz HYDJUHGWMWUVMN-DAXSKMNVSA-N 0 0 384.233 3.089 10 30 GGEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccccc1Br ZINC000502679033 567446707 /nfs/dbraw/zinc/44/67/07/567446707.db2.gz JCLDBWXQXSWEHP-QGZVFWFLSA-N 0 0 381.270 3.327 10 30 GGEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccccc1Br ZINC000502679032 567447209 /nfs/dbraw/zinc/44/72/09/567447209.db2.gz JCLDBWXQXSWEHP-KRWDZBQOSA-N 0 0 381.270 3.327 10 30 GGEERN C=CCCn1cc(C[S@](=O)Cc2nc(-c3ccc(Cl)cc3)no2)nn1 ZINC000593937407 567447698 /nfs/dbraw/zinc/44/76/98/567447698.db2.gz VRJXXYTUYAIODK-VWLOTQADSA-N 0 0 377.857 3.007 10 30 GGEERN C=CCCn1cc(C[S@](=O)Cc2nnc(-c3ccccc3Cl)o2)nn1 ZINC000593938971 567447727 /nfs/dbraw/zinc/44/77/27/567447727.db2.gz SCSKKTCXQZWUEM-VWLOTQADSA-N 0 0 377.857 3.007 10 30 GGEERN C=CCCn1cc(C[S@@](=O)Cc2nc(-c3ccc(Cl)cc3)no2)nn1 ZINC000593937406 567447794 /nfs/dbraw/zinc/44/77/94/567447794.db2.gz VRJXXYTUYAIODK-RUZDIDTESA-N 0 0 377.857 3.007 10 30 GGEERN C=CCCn1cc(C[S@](=O)Cc2cc(Cl)c3c(c2)OCCCO3)nn1 ZINC000593934900 567448185 /nfs/dbraw/zinc/44/81/85/567448185.db2.gz RKJDDMHRJBXQPY-RUZDIDTESA-N 0 0 381.885 3.118 10 30 GGEERN C=CCCn1cc(C[S@@](=O)CC(=O)Nc2cc(Cl)ccc2Cl)nn1 ZINC000593942035 567449083 /nfs/dbraw/zinc/44/90/83/567449083.db2.gz UPYDXWDCZUSUMV-XMMPIXPASA-N 0 0 387.292 3.048 10 30 GGEERN C=CCCn1cc(C[S@](=O)CC(=O)Nc2cccc(Cl)c2Cl)nn1 ZINC000593939266 567449761 /nfs/dbraw/zinc/44/97/61/567449761.db2.gz WLCTXNMRKHWGAN-DEOSSOPVSA-N 0 0 387.292 3.048 10 30 GGEERN N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CCC(F)F)CC1 ZINC000619434760 567452008 /nfs/dbraw/zinc/45/20/08/567452008.db2.gz ORPAGOIYCAGUKJ-AWEZNQCLSA-N 0 0 386.240 3.203 10 30 GGEERN N#CCCCCC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000594017952 567452789 /nfs/dbraw/zinc/45/27/89/567452789.db2.gz XTANGQRWNQYCSS-UHFFFAOYSA-N 0 0 382.277 3.316 10 30 GGEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccc(Br)s1 ZINC000502811269 567453138 /nfs/dbraw/zinc/45/31/38/567453138.db2.gz BZKOVIQAORZJRL-HNNXBMFYSA-N 0 0 387.299 3.388 10 30 GGEERN N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000570038042 567453807 /nfs/dbraw/zinc/45/38/07/567453807.db2.gz RORLEJNCFCHSKU-RHSMWYFYSA-N 0 0 378.856 3.270 10 30 GGEERN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCOc2cccc(Br)c2C1 ZINC000594029250 567454056 /nfs/dbraw/zinc/45/40/56/567454056.db2.gz BMWFBZWBODNCFY-SCLBCKFNSA-N 0 0 394.313 3.086 10 30 GGEERN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCOc2cccc(Br)c2C1 ZINC000594029247 567454601 /nfs/dbraw/zinc/45/46/01/567454601.db2.gz BMWFBZWBODNCFY-ACJLOTCBSA-N 0 0 394.313 3.086 10 30 GGEERN C=CC[C@@H](CO)NC(=O)c1cc(Br)c(CC)c(Br)c1 ZINC000502820787 567454921 /nfs/dbraw/zinc/45/49/21/567454921.db2.gz AHHVQZMRLCFVIT-JTQLQIEISA-N 0 0 391.103 3.441 10 30 GGEERN N#CCCCCC(=O)Nc1cc(Br)c(F)cc1N1CCOCC1 ZINC000594046642 567455181 /nfs/dbraw/zinc/45/51/81/567455181.db2.gz BIIRDQVXXVKSNJ-UHFFFAOYSA-N 0 0 384.249 3.447 10 30 GGEERN N#CCc1cccc(S(=O)(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)c1 ZINC000619487508 567458562 /nfs/dbraw/zinc/45/85/62/567458562.db2.gz LLEFYDZCVKFHQK-AWEZNQCLSA-N 0 0 383.256 3.471 10 30 GGEERN CC[C@@H](C#N)N(C)C(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000594094547 567459073 /nfs/dbraw/zinc/45/90/73/567459073.db2.gz MHAVBPBYIUIYAV-ZDUSSCGKSA-N 0 0 388.269 3.281 10 30 GGEERN N#Cc1ccc(C2(NC(=O)Cc3cc[nH]c(=O)c3Br)CCC2)cc1 ZINC000594141680 567461287 /nfs/dbraw/zinc/46/12/87/567461287.db2.gz BDFRBAXPHLAROC-UHFFFAOYSA-N 0 0 386.249 3.159 10 30 GGEERN Cc1c(C(=O)N[C@@H](C#N)c2cccc(Br)c2)sc2nccn12 ZINC000502926920 567462339 /nfs/dbraw/zinc/46/23/39/567462339.db2.gz ZPDWQJHUCGFHLE-LBPRGKRZSA-N 0 0 375.251 3.461 10 30 GGEERN CC[C@@H](NC(=O)COc1cccc(Br)c1C#N)[C@H]1CCCCO1 ZINC000594173517 567463203 /nfs/dbraw/zinc/46/32/03/567463203.db2.gz BMXITUVPOHYEGV-GDBMZVCRSA-N 0 0 381.270 3.163 10 30 GGEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1sccc1Br ZINC000502999448 567463523 /nfs/dbraw/zinc/46/35/23/567463523.db2.gz CFASBEUMTZSYSP-HNNXBMFYSA-N 0 0 387.299 3.388 10 30 GGEERN N#Cc1ccc(OCCNC(=O)c2cc(Br)cc3[nH]cnc32)cc1 ZINC000502987677 567464051 /nfs/dbraw/zinc/46/40/51/567464051.db2.gz IEUFRBXGAXRELI-UHFFFAOYSA-N 0 0 385.221 3.006 10 30 GGEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCc1ccccc1Br ZINC000503003889 567465183 /nfs/dbraw/zinc/46/51/83/567465183.db2.gz XSAAUTKWDTXPCX-GOSISDBHSA-N 0 0 395.297 3.369 10 30 GGEERN N#Cc1ccc(OCC(=O)NC[C@@H]2CCC3(CCCC3)O2)cc1Br ZINC000594206402 567466722 /nfs/dbraw/zinc/46/67/22/567466722.db2.gz NBXYYAZUDCLUGF-HNNXBMFYSA-N 0 0 393.281 3.308 10 30 GGEERN N#Cc1ccc2c(c1)CN(C(=O)NCCCCn1cc(Br)cn1)C2 ZINC000594240802 567466734 /nfs/dbraw/zinc/46/67/34/567466734.db2.gz YXVPYTWEZOPSKK-UHFFFAOYSA-N 0 0 388.269 3.023 10 30 GGEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1csc(Br)c1 ZINC000503055355 567466745 /nfs/dbraw/zinc/46/67/45/567466745.db2.gz PCUKTYUQZBQQBV-OAHLLOKOSA-N 0 0 387.299 3.388 10 30 GGEERN N#Cc1c(Br)cccc1OCC(=O)NC[C@@H]1CCC2(CCCC2)O1 ZINC000594206986 567466901 /nfs/dbraw/zinc/46/69/01/567466901.db2.gz VLSPYXDGNHXGDZ-ZDUSSCGKSA-N 0 0 393.281 3.308 10 30 GGEERN CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)CCCCC#N)n2)cc1 ZINC000594286274 567467654 /nfs/dbraw/zinc/46/76/54/567467654.db2.gz QZMWVSOUVHWKCB-UHFFFAOYSA-N 0 0 378.479 3.204 10 30 GGEERN C=CCNC(=O)c1ccc(NC(=O)c2cc(Br)cc3[nH]cnc32)cc1 ZINC000503124477 567469846 /nfs/dbraw/zinc/46/98/46/567469846.db2.gz FFOZZIMXGJLUSK-UHFFFAOYSA-N 0 0 399.248 3.494 10 30 GGEERN CC(C)[C@@H](NC(=O)Cc1ccc(Br)cc1C#N)C1(CO)CCC1 ZINC000594363752 567470945 /nfs/dbraw/zinc/47/09/45/567470945.db2.gz JZUYKASRSSNHEF-QGZVFWFLSA-N 0 0 379.298 3.167 10 30 GGEERN C[C@H](NC(=O)CCCCC#N)c1ccc(Br)cc1OCCCO ZINC000594362090 567470988 /nfs/dbraw/zinc/47/09/88/567470988.db2.gz PHRJGBQGHFYSEP-ZDUSSCGKSA-N 0 0 383.286 3.471 10 30 GGEERN COC1(CNc2c(C#N)cnc3c(Br)cccc32)CCOCC1 ZINC000619651415 567471026 /nfs/dbraw/zinc/47/10/26/567471026.db2.gz CKKBOEWQWSOYMS-UHFFFAOYSA-N 0 0 376.254 3.476 10 30 GGEERN CC(=O)N(C)C1CCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000619651209 567471109 /nfs/dbraw/zinc/47/11/09/567471109.db2.gz CWFOGXIZOPXELZ-UHFFFAOYSA-N 0 0 387.281 3.316 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1NCCOC[C@H]1CCCO1 ZINC000619651265 567471447 /nfs/dbraw/zinc/47/14/47/567471447.db2.gz HBVOSWNDBPAYIH-CYBMUJFWSA-N 0 0 376.254 3.476 10 30 GGEERN C[C@@H]1CN(c2c(C#N)cnc3c(Br)cccc32)C[C@@H](C)S1=O ZINC000619651607 567471500 /nfs/dbraw/zinc/47/15/00/567471500.db2.gz YAEXUSCXZGKJFE-GHMZBOCLSA-N 0 0 378.295 3.215 10 30 GGEERN N#Cc1ccc(C2(NC(=O)c3cc(I)c[nH]3)CCC2)cc1 ZINC000594402220 567473242 /nfs/dbraw/zinc/47/32/42/567473242.db2.gz DUZOQFQGRHHURV-UHFFFAOYSA-N 0 0 391.212 3.300 10 30 GGEERN CC(C)(C)Oc1cccc(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC000503238406 567475013 /nfs/dbraw/zinc/47/50/13/567475013.db2.gz AMLQBNHOBCTZGF-UHFFFAOYSA-N 0 0 379.869 3.262 10 30 GGEERN N#Cc1cc(CS(=O)(=O)Cc2c(F)ccc(Br)c2F)ccn1 ZINC000619735048 567476753 /nfs/dbraw/zinc/47/67/53/567476753.db2.gz AINDEPMUDMWCLH-UHFFFAOYSA-N 0 0 387.205 3.109 10 30 GGEERN COc1ccc(-c2noc(=O)n2CC#Cc2ccccc2)cc1Br ZINC000478718013 567477848 /nfs/dbraw/zinc/47/78/48/567477848.db2.gz GIKNOXNXNPCRHW-UHFFFAOYSA-N 0 0 385.217 3.326 10 30 GGEERN COC(=O)c1ccc(S(=O)(=O)NCc2ccc(C#N)c(Cl)c2)cc1Cl ZINC000619753347 567478408 /nfs/dbraw/zinc/47/84/08/567478408.db2.gz XLQFQHVKIIAPTJ-UHFFFAOYSA-N 0 0 399.255 3.130 10 30 GGEERN CS(=O)(=O)c1csc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c1 ZINC000503267429 567478461 /nfs/dbraw/zinc/47/84/61/567478461.db2.gz KRXSHYHGJUJTBJ-NSHDSACASA-N 0 0 389.285 3.453 10 30 GGEERN N#CCCN(Cc1ccccn1)C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000503288461 567478900 /nfs/dbraw/zinc/47/89/00/567478900.db2.gz RJXAHWOKZAZFIS-UHFFFAOYSA-N 0 0 384.237 3.276 10 30 GGEERN N#C[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000619784777 567479827 /nfs/dbraw/zinc/47/98/27/567479827.db2.gz QOIGZFRHRQISSL-MRXNPFEDSA-N 0 0 375.822 3.491 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NC2(c3cccc(OC(F)(F)F)c3)CC2)s1 ZINC000594481860 567480460 /nfs/dbraw/zinc/48/04/60/567480460.db2.gz YELUKAQYHKFVNJ-UHFFFAOYSA-N 0 0 388.392 3.486 10 30 GGEERN Cc1nccc(NC(=O)NCc2ccc(C#N)c(Cl)c2)c1Br ZINC000619799845 567481318 /nfs/dbraw/zinc/48/13/18/567481318.db2.gz ANLVKPYIMOUXHU-UHFFFAOYSA-N 0 0 379.645 3.421 10 30 GGEERN CC[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCCCO1 ZINC000594488203 567482234 /nfs/dbraw/zinc/48/22/34/567482234.db2.gz QMXPKYAXRUDETB-KBPBESRZSA-N 0 0 376.400 3.203 10 30 GGEERN N#Cc1ccc(C2(NS(=O)(=O)c3ccc(Br)cn3)CCC2)cc1 ZINC000594492925 567482292 /nfs/dbraw/zinc/48/22/92/567482292.db2.gz IKNBTAWKYLZRJR-UHFFFAOYSA-N 0 0 392.278 3.073 10 30 GGEERN N#C[C@@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)c1ccc(Cl)cc1 ZINC000619864017 567484189 /nfs/dbraw/zinc/48/41/89/567484189.db2.gz ZDRVNLNLGOPERO-GXFFZTMASA-N 0 0 383.882 3.057 10 30 GGEERN Cc1cc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)ncc1Br ZINC000503422663 567484501 /nfs/dbraw/zinc/48/45/01/567484501.db2.gz QUHPPJAQYKWIOK-INIZCTEOSA-N 0 0 382.258 3.353 10 30 GGEERN N#Cc1cc(F)c(N2CCC(c3nnc4n3CCC4)CC2)cc1Br ZINC000594547040 567485583 /nfs/dbraw/zinc/48/55/83/567485583.db2.gz YYCOFWSJUITFSP-UHFFFAOYSA-N 0 0 390.260 3.382 10 30 GGEERN C=CCCn1cc(CNc2cc(C(=O)OC)c(F)cc2Br)nn1 ZINC000594548204 567485754 /nfs/dbraw/zinc/48/57/54/567485754.db2.gz QVSUYYXROWZARF-UHFFFAOYSA-N 0 0 383.221 3.155 10 30 GGEERN Cc1cc(NS(=O)(=O)Cc2cccc(Br)c2C)n(CCC#N)n1 ZINC000594575837 567486867 /nfs/dbraw/zinc/48/68/67/567486867.db2.gz AGZMQQOBJWBJOX-UHFFFAOYSA-N 0 0 397.298 3.118 10 30 GGEERN C=CCN(C(=O)CSCc1cscn1)c1nc(C(=O)OCC)cs1 ZINC000437275870 567486895 /nfs/dbraw/zinc/48/68/95/567486895.db2.gz RIVJUPSGRPNKCY-UHFFFAOYSA-N 0 0 383.520 3.229 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)NCc2ccc(Br)s2)c(F)c1 ZINC000478869941 567487643 /nfs/dbraw/zinc/48/76/43/567487643.db2.gz SLEXYFGHLVZJPR-UHFFFAOYSA-N 0 0 389.271 3.141 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1NCc1nc([C@H]2CCCO2)n[nH]1 ZINC000594588971 567488823 /nfs/dbraw/zinc/48/88/23/567488823.db2.gz GPESLKVQFZNRBH-CYBMUJFWSA-N 0 0 399.252 3.451 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(F)cc23)c(Cl)c1 ZINC000503500542 567489910 /nfs/dbraw/zinc/48/99/10/567489910.db2.gz BLXKSSCFMDVCIK-UHFFFAOYSA-N 0 0 377.828 3.353 10 30 GGEERN C[C@@]1(c2ccccc2Br)NC(=O)N(CC#Cc2ccccc2)C1=O ZINC000478918506 567490721 /nfs/dbraw/zinc/49/07/21/567490721.db2.gz CXNKJLUEFOOODB-IBGZPJMESA-N 0 0 383.245 3.268 10 30 GGEERN C[C@]1(c2ccccc2Br)NC(=O)N(CC#Cc2ccccc2)C1=O ZINC000478918507 567491318 /nfs/dbraw/zinc/49/13/18/567491318.db2.gz CXNKJLUEFOOODB-LJQANCHMSA-N 0 0 383.245 3.268 10 30 GGEERN CN(CCCc1[nH]nc(N)c1C#N)c1c(Br)cc(Cl)cc1C#N ZINC000570589900 567498172 /nfs/dbraw/zinc/49/81/72/567498172.db2.gz DJVNOUVXVOTDHW-UHFFFAOYSA-N 0 0 393.676 3.051 10 30 GGEERN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)[C@H]1Oc2ccccc2[C@@H]1C ZINC000503722566 567503049 /nfs/dbraw/zinc/50/30/49/567503049.db2.gz DXILIIOQBBMPCM-PZROIBLQSA-N 0 0 376.865 3.443 10 30 GGEERN C[C@@H](C#N)N(C1CC1)S(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000594726484 567505184 /nfs/dbraw/zinc/50/51/84/567505184.db2.gz GXRAEMQMKGRJRS-JTQLQIEISA-N 0 0 382.283 3.006 10 30 GGEERN N#CCCN(CC1CC1)S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000594759731 567507618 /nfs/dbraw/zinc/50/76/18/567507618.db2.gz MTDJCUDXVKQPLZ-UHFFFAOYSA-N 0 0 377.691 3.417 10 30 GGEERN C=CCCOCCNC(=O)NCc1nc2cc(Br)ccc2n1CC ZINC000479148471 567508684 /nfs/dbraw/zinc/50/86/84/567508684.db2.gz UEIFCBKUJBINDW-UHFFFAOYSA-N 0 0 395.301 3.211 10 30 GGEERN COc1cc2c(cc1F)CN(S(=O)(=O)c1ccc(C#N)cc1Cl)CC2 ZINC000503844235 567509370 /nfs/dbraw/zinc/50/93/70/567509370.db2.gz IJMILABGAVRTMI-UHFFFAOYSA-N 0 0 380.828 3.106 10 30 GGEERN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCOCC12CCCC2 ZINC000594767074 567510604 /nfs/dbraw/zinc/51/06/04/567510604.db2.gz PIRWNWRVLNVHPZ-UHFFFAOYSA-N 0 0 376.503 3.415 10 30 GGEERN CC(C)(CC#N)CNC(=O)c1ncc(Br)cc1Br ZINC000457992471 567510698 /nfs/dbraw/zinc/51/06/98/567510698.db2.gz LAQQCTMJLWIAEA-UHFFFAOYSA-N 0 0 375.064 3.276 10 30 GGEERN CC(C)(CC#N)CNC(=O)c1cc(I)c(F)cc1F ZINC000457988675 567510902 /nfs/dbraw/zinc/51/09/02/567510902.db2.gz DGHZFKLKZMFNPU-UHFFFAOYSA-N 0 0 378.160 3.239 10 30 GGEERN CC(C)(CC#N)CNC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000457991193 567511163 /nfs/dbraw/zinc/51/11/63/567511163.db2.gz IVWFTXOEKLLLPU-MRXNPFEDSA-N 0 0 384.307 3.423 10 30 GGEERN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@H](O)C12CCCC2 ZINC000594777306 567511711 /nfs/dbraw/zinc/51/17/11/567511711.db2.gz ZHUJUQJOSPMEOH-INIZCTEOSA-N 0 0 376.503 3.150 10 30 GGEERN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000594778176 567512324 /nfs/dbraw/zinc/51/23/24/567512324.db2.gz AWTRZQWZMKQDCX-GOSISDBHSA-N 0 0 376.503 3.273 10 30 GGEERN N#Cc1ccc(C2(NS(=O)(=O)c3ncccc3Br)CCC2)cc1 ZINC000594793612 567512980 /nfs/dbraw/zinc/51/29/80/567512980.db2.gz FEDRPFITPLJNFN-UHFFFAOYSA-N 0 0 392.278 3.073 10 30 GGEERN N#Cc1ccc(CC(=O)NCC2(c3ccccc3Br)CCC2)cn1 ZINC000529419009 567514301 /nfs/dbraw/zinc/51/43/01/567514301.db2.gz QBZRRXMREYVQJM-UHFFFAOYSA-N 0 0 384.277 3.496 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)C[C@H]1CCOC[C@@H]1OC ZINC000458028887 567514880 /nfs/dbraw/zinc/51/48/80/567514880.db2.gz GDMLNLLVKQOERT-WBMJQRKESA-N 0 0 384.270 3.394 10 30 GGEERN N#Cc1ccc(CC(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)cn1 ZINC000529429688 567515310 /nfs/dbraw/zinc/51/53/10/567515310.db2.gz RHOAUJSLBUCVCM-INIZCTEOSA-N 0 0 384.277 3.349 10 30 GGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCc2cccc(Br)c2C1 ZINC000437986093 567516206 /nfs/dbraw/zinc/51/62/06/567516206.db2.gz NKNSXARCTMLHPG-RHSMWYFYSA-N 0 0 379.298 3.498 10 30 GGEERN C=CCn1c(N(C)Cc2ccc(Cl)s2)nnc1[C@@]1(OCC)CCOC1 ZINC000643697330 567516483 /nfs/dbraw/zinc/51/64/83/567516483.db2.gz QRKJJOGXVFZECI-QGZVFWFLSA-N 0 0 382.917 3.468 10 30 GGEERN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC2(CCC2)OC[C@H]1C ZINC000594827433 567517717 /nfs/dbraw/zinc/51/77/17/567517717.db2.gz JGASZGRNYPANEJ-GFCCVEGCSA-N 0 0 376.503 3.414 10 30 GGEERN N#CCC1CN(S(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)C1 ZINC000594827384 567517728 /nfs/dbraw/zinc/51/77/28/567517728.db2.gz XCBAHAIFDHNWPA-UHFFFAOYSA-N 0 0 398.307 3.107 10 30 GGEERN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC2(CCC2)OC[C@@H]1C ZINC000594827434 567518303 /nfs/dbraw/zinc/51/83/03/567518303.db2.gz JGASZGRNYPANEJ-LBPRGKRZSA-N 0 0 376.503 3.414 10 30 GGEERN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCC[C@@](O)(C2CC2)C1 ZINC000594843503 567519407 /nfs/dbraw/zinc/51/94/07/567519407.db2.gz OUIMBVMCVFAGMI-SFHVURJKSA-N 0 0 376.503 3.007 10 30 GGEERN N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000594853662 567520713 /nfs/dbraw/zinc/52/07/13/567520713.db2.gz VLPWFIWFKFWQOC-GJZGRUSLSA-N 0 0 376.865 3.063 10 30 GGEERN N#CCCCCS(=O)(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000594849301 567520799 /nfs/dbraw/zinc/52/07/99/567520799.db2.gz NCTFAHDQTRDFCA-CQSZACIVSA-N 0 0 389.340 3.350 10 30 GGEERN C[C@@H](CC#N)N(C)S(=O)(=O)NC(CCC(F)(F)F)CCC(F)(F)F ZINC000594868696 567521769 /nfs/dbraw/zinc/52/17/69/567521769.db2.gz QTKODSGHZZBTMS-VIFPVBQESA-N 0 0 383.358 3.108 10 30 GGEERN CC(C)O[C@@]1(COc2cc(C#N)ccc2I)CCOC1 ZINC000594896365 567523341 /nfs/dbraw/zinc/52/33/41/567523341.db2.gz UQFWNVIPAIUHOJ-HNNXBMFYSA-N 0 0 387.217 3.126 10 30 GGEERN N#Cc1ccc(Br)cc1S(=O)(=O)NCC1(C#N)CCCCC1 ZINC000594884635 567523762 /nfs/dbraw/zinc/52/37/62/567523762.db2.gz SVLMPZWKZDLKNE-UHFFFAOYSA-N 0 0 382.283 3.073 10 30 GGEERN CCc1nn(Cc2ncc(Br)cc2Cl)c(=O)c(C#N)c1CC ZINC000594887476 567523803 /nfs/dbraw/zinc/52/38/03/567523803.db2.gz MEOFZYPLVJCZKX-UHFFFAOYSA-N 0 0 381.661 3.099 10 30 GGEERN N#CC1(CNS(=O)(=O)Cc2cc(F)ccc2Br)CCCCC1 ZINC000594884798 567523949 /nfs/dbraw/zinc/52/39/49/567523949.db2.gz WYFFOLFDLIPHOT-UHFFFAOYSA-N 0 0 389.290 3.482 10 30 GGEERN COc1ccc(Br)cc1CC(=O)NCc1cc(F)c(C#N)c(F)c1 ZINC000570951187 567525861 /nfs/dbraw/zinc/52/58/61/567525861.db2.gz KXEQENCGYXHSQN-UHFFFAOYSA-N 0 0 395.203 3.466 10 30 GGEERN Cc1ccc2c(ncc(C#N)c2NCC(=O)NCc2ccco2)c1Br ZINC000479364593 567527577 /nfs/dbraw/zinc/52/75/77/567527577.db2.gz MBJRUTXXAMEGAM-UHFFFAOYSA-N 0 0 399.248 3.499 10 30 GGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000663768525 567528302 /nfs/dbraw/zinc/52/83/02/567528302.db2.gz DSMHAPUINRIQCD-IYBDPMFKSA-N 0 0 392.297 3.072 10 30 GGEERN O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)C1CN(CC(F)(F)F)C1 ZINC000504296522 567528408 /nfs/dbraw/zinc/52/84/08/567528408.db2.gz DEGPNXFKNPJWCU-LLVKDONJSA-N 0 0 376.247 3.179 10 30 GGEERN COc1cc(CNC(=O)NCCc2ccc(Br)s2)ccc1C#N ZINC000571012780 567530392 /nfs/dbraw/zinc/53/03/92/567530392.db2.gz UGXUTXWOBZNGDX-UHFFFAOYSA-N 0 0 394.294 3.433 10 30 GGEERN N#CC1(CS(=O)(=O)NC/C=C/c2ccc(Br)cc2)CCCC1 ZINC000571035071 567532123 /nfs/dbraw/zinc/53/21/23/567532123.db2.gz QJEGEPAGLOXNNI-ONEGZZNKSA-N 0 0 383.311 3.466 10 30 GGEERN N#Cc1ccc(NCC(=O)N[C@@H]2CCOc3c(Br)cccc32)cc1 ZINC000504332098 567531479 /nfs/dbraw/zinc/53/14/79/567531479.db2.gz NLOHJGDDIPUXEF-MRXNPFEDSA-N 0 0 386.249 3.373 10 30 GGEERN CS(=O)(=O)c1ccc(SCC(=O)Nc2ccccc2SCC#N)cc1 ZINC000504402849 567533792 /nfs/dbraw/zinc/53/37/92/567533792.db2.gz FJJFZIYFEJDZAR-UHFFFAOYSA-N 0 0 392.527 3.437 10 30 GGEERN Cc1nsc(N2CCN(Cc3ccsc3Br)CC2)c1C#N ZINC000529578194 567533861 /nfs/dbraw/zinc/53/38/61/567533861.db2.gz PTINAQXIGVAQKL-UHFFFAOYSA-N 0 0 383.340 3.469 10 30 GGEERN Cc1c(F)c(Br)ccc1NC(=O)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000595041339 567536962 /nfs/dbraw/zinc/53/69/62/567536962.db2.gz PEKQIVLQINFDML-QWRGUYRKSA-N 0 0 382.233 3.034 10 30 GGEERN N#Cc1cccnc1OC1CCC(NC(=O)c2coc(Br)c2)CC1 ZINC000438609719 567538223 /nfs/dbraw/zinc/53/82/23/567538223.db2.gz ABLRPUAYVPDJHR-UHFFFAOYSA-N 0 0 390.237 3.429 10 30 GGEERN N#C[C@H](NC(=O)c1cnc(OCC2CC2)cn1)c1ccc(Br)cc1 ZINC000551918261 567543809 /nfs/dbraw/zinc/54/38/09/567543809.db2.gz LFQCDOMDDHAIAW-AWEZNQCLSA-N 0 0 387.237 3.023 10 30 GGEERN C[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1Br)C1CCC(F)CC1 ZINC000595195026 567547160 /nfs/dbraw/zinc/54/71/60/567547160.db2.gz XDNIGNUDZRSACJ-ZBOXLXRLSA-N 0 0 396.260 3.292 10 30 GGEERN N#CC1(CNC(=O)C(=O)Nc2ccc(Br)cc2F)CCCCC1 ZINC000595183586 567547599 /nfs/dbraw/zinc/54/75/99/567547599.db2.gz GNZAVXCDTSHDQU-UHFFFAOYSA-N 0 0 382.233 3.117 10 30 GGEERN N#Cc1cnc(CS[C@H]2CCN(c3cccc(Br)c3)C2=O)nc1 ZINC000571269209 567549665 /nfs/dbraw/zinc/54/96/65/567549665.db2.gz JLLITWLKRYNEBK-AWEZNQCLSA-N 0 0 389.278 3.149 10 30 GGEERN N#Cc1ccnc(N2CCN(Cc3ncc(Br)cc3Cl)CC2)c1 ZINC000595289034 567551383 /nfs/dbraw/zinc/55/13/83/567551383.db2.gz CDDCIAFXOAJYDD-UHFFFAOYSA-N 0 0 392.688 3.086 10 30 GGEERN N#CC1(NC(=O)c2ccc3cc(I)ccc3n2)CCCC1 ZINC000479731513 567555991 /nfs/dbraw/zinc/55/59/91/567555991.db2.gz VHERLHQMDMQGGY-UHFFFAOYSA-N 0 0 391.212 3.406 10 30 GGEERN Cc1cc([C@H]2CCN(S(=O)(=O)c3ccc(C#N)s3)C2)c(O)cc1Cl ZINC000595350442 567556637 /nfs/dbraw/zinc/55/66/37/567556637.db2.gz AIKRWYRIAQKIFG-NSHDSACASA-N 0 0 382.894 3.465 10 30 GGEERN CC(C)[C@H](O)[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000595354707 567557152 /nfs/dbraw/zinc/55/71/52/567557152.db2.gz QKQQTCMGSJYRHX-ROUUACIJSA-N 0 0 378.881 3.248 10 30 GGEERN CC(C)[C@@H](O)[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000595354709 567558203 /nfs/dbraw/zinc/55/82/03/567558203.db2.gz QKQQTCMGSJYRHX-ZWKOTPCHSA-N 0 0 378.881 3.248 10 30 GGEERN CC(C)[C@H](O)[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1 ZINC000595353780 567558225 /nfs/dbraw/zinc/55/82/25/567558225.db2.gz MIMYSYXRDZJJPU-MSOLQXFVSA-N 0 0 378.881 3.248 10 30 GGEERN C[C@]1(C#N)CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)C1 ZINC000595371756 567558881 /nfs/dbraw/zinc/55/88/81/567558881.db2.gz MBNOVMFVLHKUJC-GFCCVEGCSA-N 0 0 397.216 3.392 10 30 GGEERN C[C@@]1(C#N)CCN(S(=O)(=O)Cc2ccc(Cl)cc2Br)C1 ZINC000595372183 567559474 /nfs/dbraw/zinc/55/94/74/567559474.db2.gz RBIDUWZVBJFKDO-ZDUSSCGKSA-N 0 0 377.691 3.168 10 30 GGEERN CCOC(=O)c1cc2cc(S(=O)(=O)N3CC[C@](C)(C#N)C3)ccc2s1 ZINC000595371404 567559478 /nfs/dbraw/zinc/55/94/78/567559478.db2.gz FVBVAXKENSBMHA-QGZVFWFLSA-N 0 0 378.475 3.002 10 30 GGEERN N#C[C@H]1COCCN1C(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 ZINC000479809649 567559882 /nfs/dbraw/zinc/55/98/82/567559882.db2.gz ZESGBDLKYUYUCU-AWEZNQCLSA-N 0 0 377.231 3.497 10 30 GGEERN CCc1c(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)[nH]c(C)c1C(N)=O ZINC000438994612 567560765 /nfs/dbraw/zinc/56/07/65/567560765.db2.gz ZUSPRCBDXMNNSG-LBPRGKRZSA-N 0 0 379.247 3.286 10 30 GGEERN N#C[C@H](c1ccc(Br)cc1)N1CCN(Cc2cncs2)CC1 ZINC000595406173 567561919 /nfs/dbraw/zinc/56/19/19/567561919.db2.gz IQQWHQSDYMPRIQ-MRXNPFEDSA-N 0 0 377.311 3.288 10 30 GGEERN N#C[C@H](c1ccc(Br)cc1)N1CCN(Cc2cccc(N)c2)CC1 ZINC000595405714 567562261 /nfs/dbraw/zinc/56/22/61/567562261.db2.gz CJIBJLZXLJYHJW-LJQANCHMSA-N 0 0 385.309 3.414 10 30 GGEERN N#C[C@@H](c1ccc(Br)cc1)N1CCN(Cc2cncs2)CC1 ZINC000595406172 567562316 /nfs/dbraw/zinc/56/23/16/567562316.db2.gz IQQWHQSDYMPRIQ-INIZCTEOSA-N 0 0 377.311 3.288 10 30 GGEERN Cc1nc(CN2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)c(C)o1 ZINC000595407375 567562568 /nfs/dbraw/zinc/56/25/68/567562568.db2.gz NAOOHJMOERQDOZ-GOSISDBHSA-N 0 0 389.297 3.436 10 30 GGEERN Cc1nc(CN2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)c(C)o1 ZINC000595407376 567562623 /nfs/dbraw/zinc/56/26/23/567562623.db2.gz NAOOHJMOERQDOZ-SFHVURJKSA-N 0 0 389.297 3.436 10 30 GGEERN N#C[C@H](c1ccc(Cl)cc1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000595430177 567563866 /nfs/dbraw/zinc/56/38/66/567563866.db2.gz LNDRYNXPFBGXGW-ZWKOTPCHSA-N 0 0 381.929 3.231 10 30 GGEERN Cn1c(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc2ccccc2c1=O ZINC000505201436 567565571 /nfs/dbraw/zinc/56/55/71/567565571.db2.gz SNDRENPRNKDYJH-INIZCTEOSA-N 0 0 396.244 3.296 10 30 GGEERN N#Cc1ccc(C2(NC(=O)c3ncsc3Br)CCOCC2)cc1 ZINC000530061794 567566392 /nfs/dbraw/zinc/56/63/92/567566392.db2.gz YNEURURZPPJANQ-UHFFFAOYSA-N 0 0 392.278 3.213 10 30 GGEERN N#CCCCCNC(=O)NCc1cc(Cl)ccc1I ZINC000595490176 567568074 /nfs/dbraw/zinc/56/80/74/567568074.db2.gz YHTJBPKRVLIHDH-UHFFFAOYSA-N 0 0 391.640 3.438 10 30 GGEERN Cn1cc([C@@H](NCc2ccc(C#N)cc2Br)C2(CO)CCC2)cn1 ZINC000595492978 567568270 /nfs/dbraw/zinc/56/82/70/567568270.db2.gz IRQBWYYUFHMATH-QGZVFWFLSA-N 0 0 389.297 3.048 10 30 GGEERN N#Cc1ccc(O[C@H]2CCN(Cc3ncc(Br)cc3Cl)C2)nc1 ZINC000595502183 567568301 /nfs/dbraw/zinc/56/83/01/567568301.db2.gz QLCGJOYUNGCFCO-ZDUSSCGKSA-N 0 0 393.672 3.417 10 30 GGEERN C[C@]1(C#N)CCN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000595521701 567569409 /nfs/dbraw/zinc/56/94/09/567569409.db2.gz UWOYMHUHNJEVQI-CQSZACIVSA-N 0 0 376.766 3.078 10 30 GGEERN C[C@@]1(C#N)CCN(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000595592056 567572163 /nfs/dbraw/zinc/57/21/63/567572163.db2.gz NTNOEFQLXZAMJG-KRWDZBQOSA-N 0 0 388.269 3.080 10 30 GGEERN COc1cc(Br)ccc1CCCNC(=O)N1CC[C@](C)(C#N)C1 ZINC000595582468 567572489 /nfs/dbraw/zinc/57/24/89/567572489.db2.gz VONABYPKFRNHAC-QGZVFWFLSA-N 0 0 380.286 3.335 10 30 GGEERN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595573406 567572920 /nfs/dbraw/zinc/57/29/20/567572920.db2.gz VEAFJPMCQSXCBS-PVUWLOKVSA-N 0 0 380.286 3.470 10 30 GGEERN Cc1cc(CNC(=O)N2CC[C@](C)(C#N)C2)ccc1I ZINC000595604126 567574495 /nfs/dbraw/zinc/57/44/95/567574495.db2.gz DSQVTNMUCMTJAM-OAHLLOKOSA-N 0 0 383.233 3.045 10 30 GGEERN N#Cc1cc(Br)cc(S(=O)(=O)NC/C=C\c2ccccc2)c1 ZINC000480029410 567577124 /nfs/dbraw/zinc/57/71/24/567577124.db2.gz ZZWDAGQZSVFOBO-DAXSKMNVSA-N 0 0 377.263 3.312 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000644784978 567578721 /nfs/dbraw/zinc/57/87/21/567578721.db2.gz GHMBVWJRUWEKNX-OZVIIMIRSA-N 0 0 383.275 3.054 10 30 GGEERN N#Cc1cccc(N2CCN(c3ncc(Cl)cc3Br)CC2)n1 ZINC000480117199 567582258 /nfs/dbraw/zinc/58/22/58/567582258.db2.gz JBSJFWDUKUWVNO-UHFFFAOYSA-N 0 0 378.661 3.091 10 30 GGEERN N#CCC1CCN(C(=O)NCCc2ccc(I)cc2)CC1 ZINC000595824869 567583451 /nfs/dbraw/zinc/58/34/51/567583451.db2.gz PURLZNNCXUOFOL-UHFFFAOYSA-N 0 0 397.260 3.169 10 30 GGEERN C[C@@H]1[C@H](C(F)(F)F)OCCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000595787315 567583712 /nfs/dbraw/zinc/58/37/12/567583712.db2.gz NSOKGDMCOJFQHP-MEBBXXQBSA-N 0 0 375.778 3.192 10 30 GGEERN N#CC[C@H]1CCCN(C(=O)NCCc2ccc(I)cc2)C1 ZINC000595828609 567584442 /nfs/dbraw/zinc/58/44/42/567584442.db2.gz UNBJWMGRLWWXNG-CQSZACIVSA-N 0 0 397.260 3.169 10 30 GGEERN N#Cc1ccsc1NC(=O)CN1CCOc2cc(Br)ccc2C1 ZINC000595877621 567588665 /nfs/dbraw/zinc/58/86/65/567588665.db2.gz QUMNYSZYTJBXNZ-UHFFFAOYSA-N 0 0 392.278 3.215 10 30 GGEERN C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H](CC(F)(F)F)O1 ZINC000595889133 567590497 /nfs/dbraw/zinc/59/04/97/567590497.db2.gz HHABKQLKTKBRMC-MFKMUULPSA-N 0 0 375.778 3.192 10 30 GGEERN COc1cc(CNC(=O)COc2ccc(Br)cc2F)ccc1C#N ZINC000571845707 567594097 /nfs/dbraw/zinc/59/40/97/567594097.db2.gz MDVFZNPMCUJYHV-UHFFFAOYSA-N 0 0 393.212 3.164 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000644966726 567595718 /nfs/dbraw/zinc/59/57/18/567595718.db2.gz RRYRRIGUIIWIRA-CQDKDKBSSA-N 0 0 381.270 3.163 10 30 GGEERN C=CCCCCCNC(=O)c1sc2c(c1I)CNC2 ZINC000595960991 567596581 /nfs/dbraw/zinc/59/65/81/567596581.db2.gz ZPNRHZIYQKRNGL-UHFFFAOYSA-N 0 0 390.290 3.432 10 30 GGEERN CC1(C)Cc2n[nH]cc2CN(C(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000596007947 567598037 /nfs/dbraw/zinc/59/80/37/567598037.db2.gz MNBJKRATHDBOMW-UHFFFAOYSA-N 0 0 387.281 3.197 10 30 GGEERN C[C@@H]1[C@@H](C(F)(F)F)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000480431044 567604778 /nfs/dbraw/zinc/60/47/78/567604778.db2.gz YBERBFRPUYWROG-KCJUWKMLSA-N 0 0 397.216 3.282 10 30 GGEERN C[C@H]1[C@@H](C(F)(F)F)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000480431046 567604795 /nfs/dbraw/zinc/60/47/95/567604795.db2.gz YBERBFRPUYWROG-KWQFWETISA-N 0 0 397.216 3.282 10 30 GGEERN N#Cc1nc(N2CCN(c3ccc(Br)cn3)CC2)sc1Cl ZINC000596078839 567606762 /nfs/dbraw/zinc/60/67/62/567606762.db2.gz ZLMJYJAXIHSYIW-UHFFFAOYSA-N 0 0 384.690 3.152 10 30 GGEERN CC(C)(CC#N)CNC(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000459263322 567609922 /nfs/dbraw/zinc/60/99/22/567609922.db2.gz XEOBHCVAGQNAAP-UHFFFAOYSA-N 0 0 393.329 3.216 10 30 GGEERN N#Cc1cc2cccnc2nc1N1CCC(n2cc(Br)cn2)CC1 ZINC000596123611 567609876 /nfs/dbraw/zinc/60/98/76/567609876.db2.gz XSPMXAYCMDPIIU-UHFFFAOYSA-N 0 0 383.253 3.302 10 30 GGEERN CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2nc(C#N)c(Cl)s2)C1 ZINC000596138294 567611868 /nfs/dbraw/zinc/61/18/68/567611868.db2.gz IBGBYKHTOUVROQ-SECBINFHSA-N 0 0 380.823 3.295 10 30 GGEERN C=C(C)C[C@H](C)C(=O)NC[C@H](Oc1ccc(Br)cc1)C(=O)OC ZINC000552816238 567612330 /nfs/dbraw/zinc/61/23/30/567612330.db2.gz IMGUKUAFNZKDEH-WFASDCNBSA-N 0 0 384.270 3.088 10 30 GGEERN C=C(C)C[C@H](C)C(=O)NC[C@@H](Oc1ccc(Br)cc1)C(=O)OC ZINC000552816237 567612468 /nfs/dbraw/zinc/61/24/68/567612468.db2.gz IMGUKUAFNZKDEH-SWLSCSKDSA-N 0 0 384.270 3.088 10 30 GGEERN CN1C(=O)C[C@H](Nc2nc(C#N)c(Cl)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000596172882 567612728 /nfs/dbraw/zinc/61/27/28/567612728.db2.gz NUNWBLCYNIXRAF-GWCFXTLKSA-N 0 0 385.251 3.266 10 30 GGEERN CN(Cc1nc2ccccc2s1)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000440036224 567612941 /nfs/dbraw/zinc/61/29/41/567612941.db2.gz AISWHOATCYCPMI-UHFFFAOYSA-N 0 0 375.450 3.269 10 30 GGEERN CN1C(=O)C[C@H](Nc2nc(C#N)c(Cl)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000596172883 567613022 /nfs/dbraw/zinc/61/30/22/567613022.db2.gz NUNWBLCYNIXRAF-GXFFZTMASA-N 0 0 385.251 3.266 10 30 GGEERN CN1C(=O)C[C@@H](Nc2nc(C#N)c(Cl)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000596172885 567613246 /nfs/dbraw/zinc/61/32/46/567613246.db2.gz NUNWBLCYNIXRAF-ZWNOBZJWSA-N 0 0 385.251 3.266 10 30 GGEERN CN(Cc1nc(C(F)(F)F)cs1)S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000440058835 567613910 /nfs/dbraw/zinc/61/39/10/567613910.db2.gz BVVCWOUWXXSWGE-UHFFFAOYSA-N 0 0 393.387 3.134 10 30 GGEERN N#Cc1cccc(CC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)c1 ZINC000530674544 567617768 /nfs/dbraw/zinc/61/77/68/567617768.db2.gz FQPAPNGIULZUEK-QGZVFWFLSA-N 0 0 384.277 3.258 10 30 GGEERN N#Cc1cnnc(N2CC[C@H](Cc3cccc(I)c3)C2)c1 ZINC000596250679 567618239 /nfs/dbraw/zinc/61/82/39/567618239.db2.gz SKMZTBDLLGBZTA-CYBMUJFWSA-N 0 0 390.228 3.022 10 30 GGEERN N#Cc1cnnc(N2CC[C@@H](Cc3cccc(I)c3)C2)c1 ZINC000596250680 567618300 /nfs/dbraw/zinc/61/83/00/567618300.db2.gz SKMZTBDLLGBZTA-ZDUSSCGKSA-N 0 0 390.228 3.022 10 30 GGEERN Cc1c(Cl)cc(S(=O)(=O)N2CCc3ccc(C#N)cc32)cc1[N+](=O)[O-] ZINC000572183601 567619748 /nfs/dbraw/zinc/61/97/48/567619748.db2.gz WSKBXIYIGUZXDS-UHFFFAOYSA-N 0 0 377.809 3.180 10 30 GGEERN C=CCCOCCNC(=O)NC1(c2cc(Br)ccc2OC)CC1 ZINC000645393905 567622308 /nfs/dbraw/zinc/62/23/08/567622308.db2.gz FFDZQEHNAPBWTR-UHFFFAOYSA-N 0 0 383.286 3.339 10 30 GGEERN CO[C@@H](CNc1c(C#N)cnc2c(Br)cccc21)[C@H]1CCOC1 ZINC000596318982 567622302 /nfs/dbraw/zinc/62/23/02/567622302.db2.gz RKGMEDYJNRECNQ-NHYWBVRUSA-N 0 0 376.254 3.332 10 30 GGEERN CS(=O)(=O)CC1(CCNc2cc(Br)c(C#N)cc2F)CC1 ZINC000596315830 567622476 /nfs/dbraw/zinc/62/24/76/567622476.db2.gz DNYMUGHYDRJVDW-UHFFFAOYSA-N 0 0 375.263 3.087 10 30 GGEERN CO[C@@H](CNc1c(C#N)cnc2c(Br)cccc21)[C@@H]1CCOC1 ZINC000596318980 567622994 /nfs/dbraw/zinc/62/29/94/567622994.db2.gz RKGMEDYJNRECNQ-ABAIWWIYSA-N 0 0 376.254 3.332 10 30 GGEERN C=CC[C@H](CO)CNC(=O)CSCc1ccc(Br)cc1F ZINC000553054493 567623322 /nfs/dbraw/zinc/62/33/22/567623322.db2.gz JOKGEVCCVCAPEM-NSHDSACASA-N 0 0 376.291 3.122 10 30 GGEERN C[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)c1ccc2ncsc2c1 ZINC000480710514 567624003 /nfs/dbraw/zinc/62/40/03/567624003.db2.gz DQHWNTYTTHIEKJ-LLVKDONJSA-N 0 0 375.450 3.488 10 30 GGEERN CSCc1cc(F)ccc1CNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000480740887 567626041 /nfs/dbraw/zinc/62/60/41/567626041.db2.gz QPQBJFPTFLRBNQ-UHFFFAOYSA-N 0 0 382.457 3.319 10 30 GGEERN COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(c2cccc(Br)c2C#N)C1 ZINC000596349347 567626252 /nfs/dbraw/zinc/62/62/52/567626252.db2.gz JIIUQGKJNRUZRN-ZJUUUORDSA-N 0 0 391.187 3.499 10 30 GGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)NCCC1(CS(C)(=O)=O)CC1 ZINC000665505586 567626553 /nfs/dbraw/zinc/62/65/53/567626553.db2.gz YAKZKVQUHVPYDF-UHFFFAOYSA-N 0 0 390.958 3.314 10 30 GGEERN CCOc1cc(Cl)ccc1CNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000480737785 567626337 /nfs/dbraw/zinc/62/63/37/567626337.db2.gz FAWDMXPGONCFMD-UHFFFAOYSA-N 0 0 382.844 3.369 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC000665532655 567628028 /nfs/dbraw/zinc/62/80/28/567628028.db2.gz PXKCOOUNPIDOJG-ABAIWWIYSA-N 0 0 383.286 3.106 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC000665532656 567628086 /nfs/dbraw/zinc/62/80/86/567628086.db2.gz PXKCOOUNPIDOJG-IAQYHMDHSA-N 0 0 383.286 3.106 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000665532658 567628579 /nfs/dbraw/zinc/62/85/79/567628579.db2.gz PXKCOOUNPIDOJG-XHDPSFHLSA-N 0 0 383.286 3.106 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1NC[C@@H]1CCCCS1(=O)=O ZINC000572324479 567630763 /nfs/dbraw/zinc/63/07/63/567630763.db2.gz KWZJNOLZUWZHIT-LBPRGKRZSA-N 0 0 394.294 3.248 10 30 GGEERN COC(=O)c1ccc(Br)c(C)c1NC(=O)c1cc(C#N)cn1C ZINC000530953433 567633315 /nfs/dbraw/zinc/63/33/15/567633315.db2.gz GRVTWAHCRPSGDT-UHFFFAOYSA-N 0 0 376.210 3.007 10 30 GGEERN Cc1ccc2c(ncc(C#N)c2N2CC[C@H](O)C(F)(F)C2)c1Br ZINC000596430093 567633377 /nfs/dbraw/zinc/63/33/77/567633377.db2.gz GVAYJPVUYFSNNY-LBPRGKRZSA-N 0 0 382.208 3.384 10 30 GGEERN Cc1ccc2c(ncc(C#N)c2N2CC[C@@H](O)C(F)(F)C2)c1Br ZINC000596430092 567633416 /nfs/dbraw/zinc/63/34/16/567633416.db2.gz GVAYJPVUYFSNNY-GFCCVEGCSA-N 0 0 382.208 3.384 10 30 GGEERN C[C@@H]1CC[C@H](Nc2c(C#N)cnc3c(Br)cccc32)CS1(=O)=O ZINC000596463477 567634242 /nfs/dbraw/zinc/63/42/42/567634242.db2.gz DINHBBGWDZRVRB-PWSUYJOCSA-N 0 0 394.294 3.247 10 30 GGEERN C[C@@H]1CC[C@H](Nc2c(Br)cc(Cl)cc2C#N)CS1(=O)=O ZINC000596464220 567634740 /nfs/dbraw/zinc/63/47/40/567634740.db2.gz IEKDPMKCUCIDPN-KCJUWKMLSA-N 0 0 377.691 3.352 10 30 GGEERN Cc1nsc(NC(=O)N2CCN(Cc3ccccc3Cl)CC2)c1C#N ZINC000459556306 567635326 /nfs/dbraw/zinc/63/53/26/567635326.db2.gz FTJLDLRIBDPVAQ-UHFFFAOYSA-N 0 0 375.885 3.326 10 30 GGEERN C[C@@H]1C[C@H]1N1C[C@H](Nc2c(C#N)cnc3c(Br)cccc32)CC1=O ZINC000440651644 567636798 /nfs/dbraw/zinc/63/67/98/567636798.db2.gz VQQJKFAIZXZIHV-IXPVHAAZSA-N 0 0 385.265 3.290 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1NC[C@H](O)COCC1CC1 ZINC000440647277 567636819 /nfs/dbraw/zinc/63/68/19/567636819.db2.gz UGUZYAVVIHKXQX-ZDUSSCGKSA-N 0 0 376.254 3.068 10 30 GGEERN CC(C)COC[C@H](O)CNc1c(C#N)cnc2c(Br)cccc21 ZINC000440642953 567637439 /nfs/dbraw/zinc/63/74/39/567637439.db2.gz 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/nfs/dbraw/zinc/78/14/76/567781476.db2.gz IROZLXFUXCOTQA-UHFFFAOYSA-N 0 0 378.219 3.495 10 30 GGEERN C=C(C)[C@H](CC(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1)OCC ZINC000533680048 567782023 /nfs/dbraw/zinc/78/20/23/567782023.db2.gz RDDBDFMMGQGGCZ-AWEZNQCLSA-N 0 0 393.285 3.222 10 30 GGEERN Cc1cc(S(=O)(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)ccc1C#N ZINC000443962152 567782685 /nfs/dbraw/zinc/78/26/85/567782685.db2.gz MEIBNAWDJBPJGL-SFHVURJKSA-N 0 0 376.865 3.282 10 30 GGEERN C=CCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)c(Cl)cn3)cc2C1=O ZINC000443968065 567783066 /nfs/dbraw/zinc/78/30/66/567783066.db2.gz CWOTWDQDROLVMM-UHFFFAOYSA-N 0 0 376.199 3.423 10 30 GGEERN C=CCn1c([C@H]2CCCS2)nnc1N1CCN(Cc2ccsc2)CC1 ZINC000574511491 567783241 /nfs/dbraw/zinc/78/32/41/567783241.db2.gz XVSMTWPPKAAOKF-MRXNPFEDSA-N 0 0 375.567 3.416 10 30 GGEERN Cc1cn(Cc2nc(COCC(F)(F)C(F)F)no2)nc1C(F)(F)F ZINC000624590881 567790609 /nfs/dbraw/zinc/79/06/09/567790609.db2.gz OTCVYXGPJFOTNT-UHFFFAOYSA-N 0 0 376.232 3.059 10 30 GGEERN N#C[C@@H](NC(=O)C1(C(F)(F)F)CCOCC1)c1cccc(Br)c1 ZINC000598824273 567792274 /nfs/dbraw/zinc/79/22/74/567792274.db2.gz ONIIFFUFTRWRDT-GFCCVEGCSA-N 0 0 391.187 3.489 10 30 GGEERN CC(C)(C)OC(=O)[C@@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)C1CC1 ZINC000598824272 567792473 /nfs/dbraw/zinc/79/24/73/567792473.db2.gz ONGACHCUJAYJCK-LSDHHAIUSA-N 0 0 393.281 3.498 10 30 GGEERN N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H](c2cccnc2)C2CC2)c1 ZINC000533913470 567792682 /nfs/dbraw/zinc/79/26/82/567792682.db2.gz RXBRYPPDNQXOGI-MRXNPFEDSA-N 0 0 392.278 3.145 10 30 GGEERN Cc1nsc(NC(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)c1C#N ZINC000598831653 567792914 /nfs/dbraw/zinc/79/29/14/567792914.db2.gz MTETZOCNJGVUPI-YPMHNXCESA-N 0 0 393.266 3.197 10 30 GGEERN Cc1ccc(Cl)cc1N1CC[C@H](CNS(=O)(=O)CC2(C#N)CCC2)C1 ZINC000574725801 567793252 /nfs/dbraw/zinc/79/32/52/567793252.db2.gz HWRLRRRJUMWMOO-OAHLLOKOSA-N 0 0 381.929 3.088 10 30 GGEERN COCCC[C@H](CNS(=O)(=O)CC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000574725663 567793273 /nfs/dbraw/zinc/79/32/73/567793273.db2.gz GVELCVFVQRQRBO-MRXNPFEDSA-N 0 0 384.929 3.463 10 30 GGEERN N#CCc1ccc(C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000533931216 567793832 /nfs/dbraw/zinc/79/38/32/567793832.db2.gz LAJFDZXXMFQNHR-UHFFFAOYSA-N 0 0 398.304 3.473 10 30 GGEERN Cc1c(NC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]23)ccc(Br)c1C#N ZINC000598841007 567793999 /nfs/dbraw/zinc/79/39/99/567793999.db2.gz GKIACRJHXNZRCC-OZVIIMIRSA-N 0 0 390.281 3.263 10 30 GGEERN COCC[C@@](C)(C#N)NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000598843026 567794020 /nfs/dbraw/zinc/79/40/20/567794020.db2.gz ZNHDIXDRZVORJD-KRWDZBQOSA-N 0 0 380.286 3.098 10 30 GGEERN Cc1c(NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)ccc(Br)c1C#N ZINC000598841008 567794092 /nfs/dbraw/zinc/79/40/92/567794092.db2.gz GKIACRJHXNZRCC-XHBSWPGZSA-N 0 0 390.281 3.263 10 30 GGEERN CO[C@](C)(C(=O)Nc1ccc(Br)c(C#N)c1C)C(=O)OC(C)(C)C ZINC000598843839 567794114 /nfs/dbraw/zinc/79/41/14/567794114.db2.gz QDKMTXUWKPUBFO-QGZVFWFLSA-N 0 0 397.269 3.315 10 30 GGEERN COC(=O)C1(C(=O)Nc2cccc(C#N)c2Br)CC2(CCC2)C1 ZINC000598841646 567794235 /nfs/dbraw/zinc/79/42/35/567794235.db2.gz JJTUKWXOAKEGGV-UHFFFAOYSA-N 0 0 377.238 3.383 10 30 GGEERN CSC[C@](C)(C#N)NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000598839696 567794247 /nfs/dbraw/zinc/79/42/47/567794247.db2.gz HKLHMNLOJFGJST-INIZCTEOSA-N 0 0 382.327 3.424 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)c1nc(-c2cc(Br)c(=O)[nH]c2C)no1 ZINC000624693302 567795158 /nfs/dbraw/zinc/79/51/58/567795158.db2.gz DFMDLXLDNVKILW-LBPRGKRZSA-N 0 0 381.230 3.052 10 30 GGEERN C=CCCCCCNC(=O)C(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000574767642 567796752 /nfs/dbraw/zinc/79/67/52/567796752.db2.gz DPNQDFJELYAGQR-UHFFFAOYSA-N 0 0 397.269 3.037 10 30 GGEERN N#C[C@H](NC(=O)C1(C(F)(F)F)CCOCC1)c1ccccc1Br ZINC000598879766 567796905 /nfs/dbraw/zinc/79/69/05/567796905.db2.gz WPGILIJZZYUBEG-LBPRGKRZSA-N 0 0 391.187 3.489 10 30 GGEERN CC(C)(C)OC(=O)[C@H](C(=O)N[C@H](C#N)c1ccccc1Br)C1CC1 ZINC000598878325 567796924 /nfs/dbraw/zinc/79/69/24/567796924.db2.gz 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/nfs/dbraw/zinc/80/64/65/567806465.db2.gz XKNQTNVNTSKDFV-UHFFFAOYSA-N 0 0 395.278 3.116 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCC(F)(c3ccccn3)CC2)c(Cl)c1 ZINC000574994200 567808309 /nfs/dbraw/zinc/80/83/09/567808309.db2.gz RNIVOCDYPPYOCX-UHFFFAOYSA-N 0 0 379.844 3.256 10 30 GGEERN N#Cc1c(Br)cccc1NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000599183824 567809535 /nfs/dbraw/zinc/80/95/35/567809535.db2.gz APRJWGBDIUEODC-OAHLLOKOSA-N 0 0 387.281 3.029 10 30 GGEERN COC[C@]1(C)CN(c2c(C#N)cnc3c(Br)cccc32)CCO1 ZINC000599201004 567810247 /nfs/dbraw/zinc/81/02/47/567810247.db2.gz CJDQHAHWTFGQHR-KRWDZBQOSA-N 0 0 376.254 3.111 10 30 GGEERN N#CCc1cccc2c1CCN(c1ncccc1I)C2 ZINC000599195873 567810272 /nfs/dbraw/zinc/81/02/72/567810272.db2.gz ZIIBLGHOIJNDEI-UHFFFAOYSA-N 0 0 375.213 3.315 10 30 GGEERN Cc1cc(Br)ccc1CN(C)CC(=O)NCc1cccc(C#N)c1 ZINC000444691167 567810381 /nfs/dbraw/zinc/81/03/81/567810381.db2.gz CUKSVRUPORMCSD-UHFFFAOYSA-N 0 0 386.293 3.377 10 30 GGEERN Cc1cc(Br)c(F)cc1S(=O)(=O)N(C[C@H](C)C#N)C1CC1 ZINC000599262864 567811720 /nfs/dbraw/zinc/81/17/20/567811720.db2.gz AZPLKASNKQUMQT-SECBINFHSA-N 0 0 375.263 3.209 10 30 GGEERN Cc1cc(Br)c(F)cc1S(=O)(=O)N(C[C@@H](C)C#N)C1CC1 ZINC000599262865 567811787 /nfs/dbraw/zinc/81/17/87/567811787.db2.gz AZPLKASNKQUMQT-VIFPVBQESA-N 0 0 375.263 3.209 10 30 GGEERN N#CC1(C[C@H](O)C[N@H+](Cc2cccc(Br)c2)C2CC2)CCOCC1 ZINC000599259924 567812151 /nfs/dbraw/zinc/81/21/51/567812151.db2.gz RVURYLDHXSGYJG-SFHVURJKSA-N 0 0 393.325 3.485 10 30 GGEERN C=CCOc1ccc(CN2CC[C@@](C(=O)NC)(C(F)(F)F)C2)cc1Cl ZINC000648073623 567813422 /nfs/dbraw/zinc/81/34/22/567813422.db2.gz RFUHJUREEMWISW-MRXNPFEDSA-N 0 0 376.806 3.405 10 30 GGEERN C=CCOc1c(Br)cc(CN2C[C@@H](C)[C@H](O)[C@@H](C)C2)cc1OC ZINC000668555723 567813874 /nfs/dbraw/zinc/81/38/74/567813874.db2.gz CZJRLQSMFKQUMO-LAQFHYBYSA-N 0 0 384.314 3.471 10 30 GGEERN COc1ccc(NC(=NC(=O)c2ccccc2)NCc2ccccn2)cc1OC ZINC000046126593 570210182 /nfs/dbraw/zinc/21/01/82/570210182.db2.gz FAIMYWHIKICDAR-UHFFFAOYSA-N 0 0 390.443 3.497 10 30 GGEERN O=C(N=C(NCc1ccccn1)Nc1cccc(F)c1)c1ccc2c(c1)OCO2 ZINC000046126365 570210205 /nfs/dbraw/zinc/21/02/05/570210205.db2.gz WCEWPJCHBRUWLD-UHFFFAOYSA-N 0 0 392.390 3.348 10 30 GGEERN COc1cc(OC)cc(C(=O)N=C(NCc2cccnc2)Nc2ccccc2)c1 ZINC000046127069 570210278 /nfs/dbraw/zinc/21/02/78/570210278.db2.gz RRDDFMKLGFCJLT-UHFFFAOYSA-N 0 0 390.443 3.497 10 30 GGEERN COc1cc(NC(=NC(=O)c2ccccc2)NCc2cccnc2)cc(OC)c1 ZINC000046128420 570210775 /nfs/dbraw/zinc/21/07/75/570210775.db2.gz PQZSTZJNBCUXOP-UHFFFAOYSA-N 0 0 390.443 3.497 10 30 GGEERN CC(=O)Nc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccccc2)cc1 ZINC000046128866 570210796 /nfs/dbraw/zinc/21/07/96/570210796.db2.gz LXCKDIXEABRNQK-LJQANCHMSA-N 0 0 380.448 3.022 10 30 GGEERN COc1cc(OC)cc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccccc2)c1 ZINC000046128921 570210827 /nfs/dbraw/zinc/21/08/27/570210827.db2.gz AANFMGQVUHSBFC-QGZVFWFLSA-N 0 0 383.448 3.081 10 30 GGEERN CC(=O)Nc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccccc2)c1 ZINC000046128929 570210869 /nfs/dbraw/zinc/21/08/69/570210869.db2.gz KLFNNGLJZCXUBS-LJQANCHMSA-N 0 0 380.448 3.022 10 30 GGEERN CC(=O)Nc1cc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccccc2)ccc1C ZINC000046128933 570210882 /nfs/dbraw/zinc/21/08/82/570210882.db2.gz OHLNTMRKMYNKPR-IBGZPJMESA-N 0 0 394.475 3.330 10 30 GGEERN COc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccccc2C)cc1OC ZINC000046129258 570211050 /nfs/dbraw/zinc/21/10/50/570211050.db2.gz RUJPDZLAJFRHDJ-KRWDZBQOSA-N 0 0 397.475 3.389 10 30 GGEERN COc1cc(OC)cc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(C)cc2)c1 ZINC000046130391 570211296 /nfs/dbraw/zinc/21/12/96/570211296.db2.gz KTPWRAKUGDFTIW-GOSISDBHSA-N 0 0 397.475 3.389 10 30 GGEERN Cc1ccc(C)c(NC(=NC(=O)c2ccc3c(c2)OCO3)NC[C@@H]2CCCO2)c1 ZINC000046130140 570211315 /nfs/dbraw/zinc/21/13/15/570211315.db2.gz IJWREBSPDXGXDY-KRWDZBQOSA-N 0 0 395.459 3.409 10 30 GGEERN Cc1ccc(NC(=NC(=O)c2ccc3c(c2)OCO3)NC[C@H]2CCCO2)c(C)c1 ZINC000046130039 570211328 /nfs/dbraw/zinc/21/13/28/570211328.db2.gz RDJQRUFHWVMTEA-QGZVFWFLSA-N 0 0 395.459 3.409 10 30 GGEERN COc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(C)cc2)cc1OC ZINC000046130301 570211372 /nfs/dbraw/zinc/21/13/72/570211372.db2.gz KIBNAMWTZPNNBX-GOSISDBHSA-N 0 0 397.475 3.389 10 30 GGEERN COc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cccc(C)c2)cc1OC ZINC000046130456 570211630 /nfs/dbraw/zinc/21/16/30/570211630.db2.gz ZPGGLDDVIWZMFD-SFHVURJKSA-N 0 0 397.475 3.389 10 30 GGEERN Cc1cccc(NC(=NC(=O)c2ccc3c(c2)OCO3)NC[C@H]2CCCO2)c1 ZINC000046130470 570211643 /nfs/dbraw/zinc/21/16/43/570211643.db2.gz DQEZNNYJZRPQLH-QGZVFWFLSA-N 0 0 381.432 3.101 10 30 GGEERN CCOc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(OC)cc2)cc1 ZINC000046130952 570211695 /nfs/dbraw/zinc/21/16/95/570211695.db2.gz SLQAHDARQXUFSI-FQEVSTJZSA-N 0 0 397.475 3.471 10 30 GGEERN CC(=O)Nc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cccc(F)c2)c1 ZINC000046131919 570212056 /nfs/dbraw/zinc/21/20/56/570212056.db2.gz VEENDZDMXQGKLD-LJQANCHMSA-N 0 0 398.438 3.161 10 30 GGEERN Cc1ccc(C(=O)N=C(NCCN2CCOCC2)Nc2ccccc2C)cc1C ZINC000046133614 570212287 /nfs/dbraw/zinc/21/22/87/570212287.db2.gz UFTCVHCBDBYXDX-UHFFFAOYSA-N 0 0 394.519 3.142 10 30 GGEERN Cc1cccc(C(=O)N=C(NCCN2CCOCC2)Nc2cc(C)cc(C)c2)c1 ZINC000046134549 570212499 /nfs/dbraw/zinc/21/24/99/570212499.db2.gz RYLRWNYNBXGAKI-UHFFFAOYSA-N 0 0 394.519 3.142 10 30 GGEERN CC(C)c1ccc(NC(=NC(=O)c2ccccc2)NCCN2CCOCC2)cc1 ZINC000046134252 570212697 /nfs/dbraw/zinc/21/26/97/570212697.db2.gz GWUHGLPDUNRHOE-UHFFFAOYSA-N 0 0 394.519 3.340 10 30 GGEERN COc1cc(NC(=NC(=O)c2ccc(C)cc2)NC[C@@H]2CCCO2)cc(OC)c1 ZINC000046132481 570213066 /nfs/dbraw/zinc/21/30/66/570213066.db2.gz LQADQMLLHVOSLL-SFHVURJKSA-N 0 0 397.475 3.389 10 30 GGEERN COc1cc(/C=N/n2cnc3c(sc4nc(C)cc(C)c43)c2=O)ccc1O ZINC000001034699 570236507 /nfs/dbraw/zinc/23/65/07/570236507.db2.gz PAJLDRDTKYRKLG-ODCIPOBUSA-N 0 0 380.429 3.219 10 30 GGEERN C=CCN1c2ccc(C)cc2C(=NNc2nc3ccccc3c(=O)n2CC=C)C1=O ZINC000015776883 570241581 /nfs/dbraw/zinc/24/15/81/570241581.db2.gz SVDDKOXPSRAMFG-LKUDQCMESA-N 0 0 399.454 3.240 10 30 GGEERN C=CCN(C(=O)CN1C(=O)c2ccccc2C1=O)c1nc2ccccc2s1 ZINC000014185607 570244072 /nfs/dbraw/zinc/24/40/72/570244072.db2.gz JHNQGASELNLMLQ-UHFFFAOYSA-N 0 0 377.425 3.112 10 30 GGEERN C=CCSc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1 ZINC000014232037 570244660 /nfs/dbraw/zinc/24/46/60/570244660.db2.gz WAWPGHQPTCEXJE-UHFFFAOYSA-N 0 0 392.502 3.399 10 30 GGEERN CC(N=Nc1nc(SCC(=O)NC2CC2)n[nH]1)C12CC3CC(CC(C3)C1)C2 ZINC000020159852 570245040 /nfs/dbraw/zinc/24/50/40/570245040.db2.gz XNOOCKBWVLBMSG-SSDVNMTOSA-N 0 0 388.541 3.180 10 30 GGEERN C=CCOc1ccc(C(=O)N2CCC(C(=O)Nc3ccccn3)CC2)cc1OC ZINC000048364593 570247140 /nfs/dbraw/zinc/24/71/40/570247140.db2.gz TYCFYIYZDPDZSY-UHFFFAOYSA-N 0 0 395.459 3.146 10 30 GGEERN C=CCN(C(=O)c1cccc(C)c1)c1ccccc1C(=O)NCC(=O)OCC ZINC000002154022 570252829 /nfs/dbraw/zinc/25/28/29/570252829.db2.gz UFPUSTYPJBYMPP-UHFFFAOYSA-N 0 0 380.444 3.121 10 30 GGEERN C=CCN1C(=O)c2ccc(C(=O)Nc3nc4c(s3)CCCCC4)cc2C1=O ZINC000012827832 570262982 /nfs/dbraw/zinc/26/29/82/570262982.db2.gz PKFBKUBSRGUFFL-UHFFFAOYSA-N 0 0 381.457 3.446 10 30 GGEERN Cc1c(C(=O)OCc2cn3ccccc3c2C#N)sc2[nH]c(C)nc(=O)c12 ZINC000014901858 570266896 /nfs/dbraw/zinc/26/68/96/570266896.db2.gz NJBNSLUSDWDFSR-UHFFFAOYSA-N 0 0 378.413 3.083 10 30 GGEERN COc1ccc(S(=O)(=O)N(CCC#N)[C@@H]2CCc3ccccc32)cc1OC ZINC000001893607 570270115 /nfs/dbraw/zinc/27/01/15/570270115.db2.gz WMIXDEUTTUIRFF-GOSISDBHSA-N 0 0 386.473 3.296 10 30 GGEERN C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000035262659 570278595 /nfs/dbraw/zinc/27/85/95/570278595.db2.gz YCPFCJIUPTZMCZ-AEFFLSMTSA-N 0 0 376.460 3.236 10 30 GGEERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000012884347 570284390 /nfs/dbraw/zinc/28/43/90/570284390.db2.gz SXFAFYNLVPZGPU-ZDUSSCGKSA-N 0 0 397.456 3.145 10 30 GGEERN C=CCN(C(=O)Cn1nc(C)n2c(cc3cc(C)ccc32)c1=O)c1ccccc1 ZINC000006803349 570285230 /nfs/dbraw/zinc/28/52/30/570285230.db2.gz SECINPYGSKTTPL-UHFFFAOYSA-N 0 0 386.455 3.485 10 30 GGEERN Cc1nn(-c2ccccc2)c(CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c1C#N ZINC000012914697 570292133 /nfs/dbraw/zinc/29/21/33/570292133.db2.gz FIFXWCLVVCNAST-LHSJRXKWSA-N 0 0 377.448 3.053 10 30 GGEERN CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000012913225 570292423 /nfs/dbraw/zinc/29/24/23/570292423.db2.gz ZBAMCDCOHZGGHG-HNNXBMFYSA-N 0 0 399.878 3.144 10 30 GGEERN CC(C)c1noc2ncc(C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)cc21 ZINC000014197757 570295949 /nfs/dbraw/zinc/29/59/49/570295949.db2.gz QPAOHXMPKCTTQH-UHFFFAOYSA-N 0 0 389.459 3.176 10 30 GGEERN Cn1c(Oc2ccc(-c3nc4ccccc4s3)cc2)c(C#N)c(=O)n(C)c1=O ZINC000014215402 570296623 /nfs/dbraw/zinc/29/66/23/570296623.db2.gz HFJDSVKUTAJLMR-UHFFFAOYSA-N 0 0 390.424 3.025 10 30 GGEERN C#CCNC(=O)CSc1nc2sc(-c3ccccc3)c(C)c2c(=O)n1CC ZINC000012927363 570297916 /nfs/dbraw/zinc/29/79/16/570297916.db2.gz OTQAMPQWACCCRH-UHFFFAOYSA-N 0 0 397.525 3.295 10 30 GGEERN N#Cc1ccccc1NC(=O)CCn1nnc(-c2cccc(C(F)(F)F)c2)n1 ZINC000012937421 570312866 /nfs/dbraw/zinc/31/28/66/570312866.db2.gz ZMPXRLTUZFALNZ-UHFFFAOYSA-N 0 0 386.337 3.259 10 30 GGEERN N#Cc1ccc(C(=O)O[C@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)cc1 ZINC000016208368 570319868 /nfs/dbraw/zinc/31/98/68/570319868.db2.gz VQPUFZBZUZBCFG-SFHVURJKSA-N 0 0 380.375 3.076 10 30 GGEERN N#Cc1c(N2CCCCC2)nc(N)c2c(N)nc3c(c12)C[C@H](c1ccccc1)O3 ZINC000023935300 570339538 /nfs/dbraw/zinc/33/95/38/570339538.db2.gz BWBIBKSZOXBZAY-MRXNPFEDSA-N 0 0 386.459 3.332 10 30 aggregator GGEERN CN1C(=O)C[C@@H](C(=O)NCCc2ccccc2)S/C1=N/c1ccc(F)cc1 ZINC000100570200 570399771 /nfs/dbraw/zinc/39/97/71/570399771.db2.gz RJZRTQYCPDQDQF-OLRQPGBRSA-N 0 0 385.464 3.136 10 30 GGEERN Cc1ccc(C(=O)N=C(Nc2cccc(Cl)c2C)N2CCN(C=O)CC2)cc1 ZINC000033251306 570403507 /nfs/dbraw/zinc/40/35/07/570403507.db2.gz GBBCCVOCZBUKGQ-UHFFFAOYSA-N 0 0 398.894 3.339 10 30 GGEERN C#CCOc1ccccc1CN(C)C(=O)Nc1ccccc1-n1c(C)c[nH]c1=O ZINC000072270428 570434857 /nfs/dbraw/zinc/43/48/57/570434857.db2.gz FESXYCLUCAHUFX-UHFFFAOYSA-N 0 0 390.443 3.150 10 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ZINC000252670663 570480414 /nfs/dbraw/zinc/48/04/14/570480414.db2.gz LHLUOSKCONJPEM-UHFFFAOYSA-N 0 0 378.453 3.203 10 30 GGEERN COc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(Cl)c(C#N)c3)c2c1 ZINC000072307366 570525245 /nfs/dbraw/zinc/52/52/45/570525245.db2.gz OQPDLLFPPLAMKR-UHFFFAOYSA-N 0 0 389.864 3.223 10 30 GGEERN C=CCNC(=O)c1cccc(Nc2cc(C)nc3nc(-c4cccnc4)nn32)c1 ZINC000064791625 570546455 /nfs/dbraw/zinc/54/64/55/570546455.db2.gz IBWBOESRLJSQFZ-UHFFFAOYSA-N 0 0 385.431 3.154 10 30 GGEERN C=CCNC(=O)c1ccc(Nc2cc(C)nc3nc(-c4cccnc4)nn32)cc1 ZINC000064791511 570546474 /nfs/dbraw/zinc/54/64/74/570546474.db2.gz MVIGAYBXHSNJBH-UHFFFAOYSA-N 0 0 385.431 3.154 10 30 GGEERN C=CCN1CCN(C(=O)N[C@@H](CC(=O)OCC)c2ccccc2)c2cccnc21 ZINC000064929552 570595525 /nfs/dbraw/zinc/59/55/25/570595525.db2.gz LXJDPKWUCNCUJV-SFHVURJKSA-N 0 0 394.475 3.298 10 30 GGEERN C=CCN(C(=O)c1nn(C)c(=O)c2ccccc21)c1nc2c(s1)CCCC2 ZINC000005511178 570621950 /nfs/dbraw/zinc/62/19/50/570621950.db2.gz ZTCSISGKLWKLKL-UHFFFAOYSA-N 0 0 380.473 3.102 10 30 GGEERN C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)c3ccc(F)cc3)cc2C1=O ZINC000005569679 570646051 /nfs/dbraw/zinc/64/60/51/570646051.db2.gz FFXSOUGXDJEHBB-GFCCVEGCSA-N 0 0 381.359 3.036 10 30 GGEERN C=CCNC(=O)NC(=O)CSc1ncnc2sc(-c3ccccc3)cc21 ZINC000006848014 570646780 /nfs/dbraw/zinc/64/67/80/570646780.db2.gz AVEDZZVRFRVKEN-UHFFFAOYSA-N 0 0 384.486 3.462 10 30 GGEERN O=C(OCC#Cc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000072312603 570649019 /nfs/dbraw/zinc/64/90/19/570649019.db2.gz WIFCBGSGOMBKIJ-UHFFFAOYSA-N 0 0 375.302 3.245 10 30 GGEERN C#CCN(Cc1ccco1)C(=O)N[C@@H]1CCN(c2cc(Cl)ccc2OC)C1 ZINC000072313333 570651265 /nfs/dbraw/zinc/65/12/65/570651265.db2.gz IJVLJJMPLVDDHA-MRXNPFEDSA-N 0 0 387.867 3.365 10 30 GGEERN CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N\NC(N)=S ZINC000012407178 570654471 /nfs/dbraw/zinc/65/44/71/570654471.db2.gz KCQWEMJSGSNCTJ-BNDVRQRFSA-N 0 0 378.501 3.059 10 30 GGEERN Cc1[n-]n(Cc2ccccc2)c(=O)c1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)C#N ZINC000000848865 570661841 /nfs/dbraw/zinc/66/18/41/570661841.db2.gz SJSYEZFNLZPPOT-WOJBJXKFSA-N 0 0 387.399 3.376 10 30 GGEERN C[C@@](C#N)(NC(=O)CN(Cc1ccccc1)C[C@@H](O)c1ccsc1)C1CC1 ZINC000229874181 570667433 /nfs/dbraw/zinc/66/74/33/570667433.db2.gz DXYZCBVSFQNDGQ-CTNGQTDRSA-N 0 0 383.517 3.092 10 30 GGEERN N#Cc1oc2ccccc2c1NC(=O)CSc1nnnn1-c1cccc(F)c1 ZINC000005796729 570691690 /nfs/dbraw/zinc/69/16/90/570691690.db2.gz HHAUMILCOQWZGS-UHFFFAOYSA-N 0 0 394.391 3.150 10 30 GGEERN C=CCN1C2=C(C(=O)N(CCc3ccccc3)C2)[C@@H](c2ccc(F)cc2)NC1=O ZINC000004355680 570694688 /nfs/dbraw/zinc/69/46/88/570694688.db2.gz SSAZCSCVSGZSBC-OAQYLSRUSA-N 0 0 391.446 3.417 10 30 GGEERN Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(C#N)c2)c(C)c1 ZINC000025053586 570706912 /nfs/dbraw/zinc/70/69/12/570706912.db2.gz ARYLKYYIEJZORY-IBGZPJMESA-N 0 0 397.500 3.275 10 30 GGEERN CC[C@](C)(C#N)NC(=O)c1ccccc1SCc1nnnn1-c1ccccc1 ZINC000058169331 570714907 /nfs/dbraw/zinc/71/49/07/570714907.db2.gz VMDDBWVEAVYEIV-HXUWFJFHSA-N 0 0 392.488 3.377 10 30 GGEERN C[C@H](NC(=O)c1ccoc1)C(=O)Nc1n[nH]c(-c2ccccc2OC(F)F)n1 ZINC000058314227 570726992 /nfs/dbraw/zinc/72/69/92/570726992.db2.gz VXNSKPZSWBGBIO-VIFPVBQESA-N 0 0 391.334 3.073 10 30 GGEERN N#Cc1c(SCC(=O)NC[C@@H]2CCCO2)nc2c(c1-c1ccco1)CCCC2 ZINC000012968926 570732710 /nfs/dbraw/zinc/73/27/10/570732710.db2.gz ZYHIIGFUJFHCOB-AWEZNQCLSA-N 0 0 397.500 3.479 10 30 GGEERN CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)C3=CC[C@@]21C ZINC000253497650 570733088 /nfs/dbraw/zinc/73/30/88/570733088.db2.gz AAPZMQVULRVUEU-GDPKUKTISA-N 0 0 398.499 3.324 10 30 GGEERN CCOc1cc2c(cc1CNC(=O)c1ccc(NC(=O)CC#N)cc1)O[C@H](C)C2 ZINC000012975298 570734380 /nfs/dbraw/zinc/73/43/80/570734380.db2.gz HYZUEVZMDXPPAG-CQSZACIVSA-N 0 0 393.443 3.191 10 30 GGEERN CCOc1cc(C#N)ccc1OCC(=O)Nc1cccc(Cn2ccnc2)c1 ZINC000025175648 570739650 /nfs/dbraw/zinc/73/96/50/570739650.db2.gz KSZYOGAJFKCQDN-UHFFFAOYSA-N 0 0 376.416 3.219 10 30 GGEERN CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sc(C)c(C)c2C#N)C1=O ZINC000025349311 570748420 /nfs/dbraw/zinc/74/84/20/570748420.db2.gz REDRRGIDUQAVPS-HXUWFJFHSA-N 0 0 396.472 3.032 10 30 GGEERN CCCCCCCC(=O)NCCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100980280 570784560 /nfs/dbraw/zinc/78/45/60/570784560.db2.gz VXPNNGDCEMVUSE-UHFFFAOYSA-N 0 0 381.385 3.137 10 30 GGEERN C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c1C ZINC000004468773 570790823 /nfs/dbraw/zinc/79/08/23/570790823.db2.gz CIBOUUKJVMGGBR-HSZRJFAPSA-N 0 0 391.471 3.257 10 30 GGEERN CC(=[NH+]CCCn1cccn1)c1c(C)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000004654360 570806526 /nfs/dbraw/zinc/80/65/26/570806526.db2.gz PCWUAPHHLOFTGX-MOSHPQCFSA-N 0 0 380.477 3.180 10 30 GGEERN C=CCn1c(SCC(=O)Nc2ccccc2OCC)nc2ncccc2c1=O ZINC000031615193 570817843 /nfs/dbraw/zinc/81/78/43/570817843.db2.gz NPLUBRKKANHNKJ-UHFFFAOYSA-N 0 0 396.472 3.107 10 30 GGEERN C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2ncccc2c1=O ZINC000031615263 570818035 /nfs/dbraw/zinc/81/80/35/570818035.db2.gz DRRPMVAWXLWKDD-UHFFFAOYSA-N 0 0 380.473 3.325 10 30 GGEERN CCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@@H](C)C1 ZINC000101451766 570823590 /nfs/dbraw/zinc/82/35/90/570823590.db2.gz OMHVDGXECMRTIY-MSOLQXFVSA-N 0 0 381.561 3.136 10 30 GGEERN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000239310478 570826687 /nfs/dbraw/zinc/82/66/87/570826687.db2.gz IMBNODXFFYNNFQ-KXBFYZLASA-N 0 0 377.444 3.494 10 30 GGEERN C[C@H](OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)cc1 ZINC000012534920 570835334 /nfs/dbraw/zinc/83/53/34/570835334.db2.gz GVOOGVWJHXUHGX-ZDUSSCGKSA-N 0 0 378.363 3.067 10 30 GGEERN N#Cc1cc([N+](=O)[O-])ccc1N1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000012538919 570837440 /nfs/dbraw/zinc/83/74/40/570837440.db2.gz ZQSZWQBTTBCSSS-UHFFFAOYSA-N 0 0 390.443 3.268 10 30 GGEERN CCCCCC(=O)N(Cc1ccc(C#N)cc1)c1nn2c(nc(C)c(C)c2=O)[nH]1 ZINC000101878165 570837835 /nfs/dbraw/zinc/83/78/35/570837835.db2.gz ARNQRSKWRYQDHL-UHFFFAOYSA-N 0 0 392.463 3.020 10 30 GGEERN CC#CCOc1ccc([C@H](C)OC(=O)CCn2cnc3ccccc3c2=O)cc1 ZINC000170609436 570865717 /nfs/dbraw/zinc/86/57/17/570865717.db2.gz YXXSOSVFLHZBDH-KRWDZBQOSA-N 0 0 390.439 3.493 10 30 GGEERN C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2ncccc2c1=O ZINC000032885500 570884958 /nfs/dbraw/zinc/88/49/58/570884958.db2.gz YXQCYTMIWGDOHN-UHFFFAOYSA-N 0 0 380.473 3.325 10 30 GGEERN Cc1ccc(Cc2cnc(NC(=O)CN(C)c3ccc(C#N)cn3)s2)cc1 ZINC000096999371 570885646 /nfs/dbraw/zinc/88/56/46/570885646.db2.gz QEZSRFPMXOGXKG-UHFFFAOYSA-N 0 0 377.473 3.384 10 30 GGEERN C=CCc1cc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(OC)c1O ZINC000103756790 570888492 /nfs/dbraw/zinc/88/84/92/570888492.db2.gz GEEMTURDLZTACP-YVLHZVERSA-N 0 0 382.391 3.361 10 30 GGEERN C=CCN(C(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12)c1ccccc1 ZINC000004563312 570890152 /nfs/dbraw/zinc/89/01/52/570890152.db2.gz RYKJHXDITNHMPH-UHFFFAOYSA-N 0 0 378.428 3.389 10 30 GGEERN CC(C)Cn1c(SCC(=O)Nc2ccccc2C#N)nc2ncccc2c1=O ZINC000032893292 570890207 /nfs/dbraw/zinc/89/02/07/570890207.db2.gz YIFWXTDCMIKGIS-UHFFFAOYSA-N 0 0 393.472 3.050 10 30 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GGEERN N#Cc1ccc(NC(=O)NCCCN2C(=O)COc3ccccc32)cc1Cl ZINC000174528801 1427205233 /nfs/dbraw/zinc/20/52/33/1427205233.db2.gz DWHZIICOPULRNF-UHFFFAOYSA-N 0 0 384.823 3.149 10 30 GGEERN CN1CCOc2ccc(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc21 ZINC000175088912 1427539806 /nfs/dbraw/zinc/53/98/06/1427539806.db2.gz DDUUFRVVLLLEPW-UHFFFAOYSA-N 0 0 392.459 3.462 10 30 GGEERN CC(=O)N1CC[C@H](C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 ZINC000175638379 1427840526 /nfs/dbraw/zinc/84/05/26/1427840526.db2.gz GVTKNKPMHINCOJ-FQEVSTJZSA-N 0 0 379.435 3.095 10 30 GGEERN C[C@@H](Sc1nnc2n1CCCCC2)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000192462997 1432847728 /nfs/dbraw/zinc/84/77/28/1432847728.db2.gz IAEFGQUSWYRDBU-XAUUPUKJSA-N 0 0 375.542 3.416 10 30 GGEERN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc2n1CCCCC2 ZINC000192462912 1432847741 /nfs/dbraw/zinc/84/77/41/1432847741.db2.gz FAEDCUHJHMPTAJ-OAHLLOKOSA-N 0 0 399.520 3.441 10 30 GGEERN COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc2n1CCCCC2 ZINC000192462902 1432847774 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1433871127 /nfs/dbraw/zinc/87/11/27/1433871127.db2.gz UIPXKWVSNJKTBP-UHFFFAOYSA-N 0 0 396.438 3.454 10 30 GGEERN COc1ccc(NC(=O)CON=C(C)c2ccc3c(c2)OCCO3)cc1Cl ZINC000254404524 1433871158 /nfs/dbraw/zinc/87/11/58/1433871158.db2.gz BHWSXJMESCMYPT-UHFFFAOYSA-N 0 0 390.823 3.499 10 30 GGEERN CCOc1ccc(S(=O)(=O)NN=Cc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000254623159 1433871579 /nfs/dbraw/zinc/87/15/79/1433871579.db2.gz HJORKWRSDADPSW-UHFFFAOYSA-N 0 0 398.488 3.200 10 30 GGEERN Cc1ccc2c3c1C(=NNC(N)=S)C(=O)N3C(C)(C)C[C@]2(C)c1ccccc1 ZINC000254652355 1433871718 /nfs/dbraw/zinc/87/17/18/1433871718.db2.gz AEDXTADOCCHRIO-JOCHJYFZSA-N 0 0 392.528 3.367 10 30 GGEERN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N=c1sccn1Cc1ccccc1 ZINC000254707141 1433871739 /nfs/dbraw/zinc/87/17/39/1433871739.db2.gz PBAQBXODAAJBEV-UHFFFAOYSA-N 0 0 392.484 3.247 10 30 GGEERN O[C@]1(c2ccccc2)CSC(=Nc2cccnc2)N1CCCn1ccnc1 ZINC000254740694 1433871849 /nfs/dbraw/zinc/87/18/49/1433871849.db2.gz FYXSUWLYOGAVBF-FQEVSTJZSA-N 0 0 379.489 3.250 10 30 GGEERN COc1cc(OC)c(OC)cc1C=Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000254758006 1433871893 /nfs/dbraw/zinc/87/18/93/1433871893.db2.gz GDDAATZSEPBNFI-UHFFFAOYSA-N 0 0 381.432 3.261 10 30 GGEERN COC(=O)c1ccc(C=NO[C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000254820652 1433872040 /nfs/dbraw/zinc/87/20/40/1433872040.db2.gz VDXZARBSKFKNOB-ZDUSSCGKSA-N 0 0 392.419 3.096 10 30 GGEERN COC(=O)c1ccc(CON=CC(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000254866883 1433872325 /nfs/dbraw/zinc/87/23/25/1433872325.db2.gz WEZRTEBSNFWLTB-UHFFFAOYSA-N 0 0 376.796 3.276 10 30 GGEERN O=C(NCCNC(=O)C1N=CC=CC1=O)Nc1ccccc1-c1ccccc1 ZINC000255548072 1433884777 /nfs/dbraw/zinc/88/47/77/1433884777.db2.gz DLICXDPEPBHMJH-FMQUCBEESA-N 0 0 376.416 3.002 10 30 GGEERN CCCn1c(=O)c(=Cc2ccccc2)sc1=C(C#N)C(=O)c1sccc1C ZINC000255719101 1433888525 /nfs/dbraw/zinc/88/85/25/1433888525.db2.gz HVQCJHCTQHBYPP-UHFFFAOYSA-N 0 0 394.521 3.076 10 30 GGEERN C=C(C)COc1cccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]32)c1 ZINC000263841419 1434040410 /nfs/dbraw/zinc/04/04/10/1434040410.db2.gz ASINMGWMCSFHQZ-JENIJYKNSA-N 0 0 389.521 3.306 10 30 GGEERN Cc1cc2occ(CC(=O)NCCNC(=O)C3N=CC=CC3=O)c2cc1C(C)C ZINC000264656192 1434140516 /nfs/dbraw/zinc/14/05/16/1434140516.db2.gz HBDXRXXTXDZSCR-DQRAZIAOSA-N 0 0 395.459 3.050 10 30 GGEERN C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000266788822 1434375430 /nfs/dbraw/zinc/37/54/30/1434375430.db2.gz DWUYSDAIPNFWAU-PVAXWEITSA-N 0 0 396.274 3.429 10 30 GGEERN Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)CCNC(=O)C2N=CC=CC2=O)cc1 ZINC000266822486 1434378852 /nfs/dbraw/zinc/37/88/52/1434378852.db2.gz GCGNATKNRHLHKV-KQSBVOLFSA-N 0 0 381.476 3.211 10 30 GGEERN COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000267580833 1434447490 /nfs/dbraw/zinc/44/74/90/1434447490.db2.gz GFCINTMIUCYGGW-SFHVURJKSA-N 0 0 387.480 3.009 10 30 GGEERN COc1ccccc1CN(CCO)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000269367452 1434632160 /nfs/dbraw/zinc/63/21/60/1434632160.db2.gz GLPKCBPBGJJQPZ-UHFFFAOYSA-N 0 0 383.448 3.380 10 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CCc1cccc2c(C(=O)CN3CCN([C@@H](C)C(=O)NC4CC4)CC3)c[nH]c21 ZINC000040024843 521789057 /nfs/dbraw/zinc/78/90/57/521789057.db2.gz YOZCERFXDMTKTN-HNNXBMFYSA-N 0 0 382.508 3.038 10 30 GGEERN CNC(=O)c1ccc([C@@H]2CCCCN2CC(=O)Nc2oc(C)c(C)c2C#N)n1C ZINC000328644026 521858761 /nfs/dbraw/zinc/85/87/61/521858761.db2.gz RNYPEHFSVPRHGE-KRWDZBQOSA-N 0 0 397.479 3.281 10 30 GGEERN COc1cc(/C=C(\C(C)=O)C(=O)N2CCOCC2)ccc1OCc1ccccc1 ZINC000012661185 521922039 /nfs/dbraw/zinc/92/20/39/521922039.db2.gz NUUQNXRHTHUODD-XSFVSMFZSA-N 0 0 395.455 3.105 10 30 GGEERN COC(=O)c1ccc(CN=Nc2ncccc2[N+](=O)[O-])n1-c1ccc(F)cc1 ZINC000004363626 521936931 /nfs/dbraw/zinc/93/69/31/521936931.db2.gz CXVMSTYRLKLDJD-SRZZPIQSSA-N 0 0 383.339 3.152 10 30 GGEERN COC(=O)c1ccc(/N=C2/S/C(=C/c3ccc(OC)c(O)c3)C(=O)N2C)cc1 ZINC000102644237 521940261 /nfs/dbraw/zinc/94/02/61/521940261.db2.gz RJMIYRCIXVPBTP-QTFLQNGUSA-N 0 0 398.440 3.421 10 30 GGEERN COc1cc(/C=C2\Oc3c(cc(C[NH+](C)C)c([O-])c3C)C2=O)cc(OC)c1OC ZINC000094993465 521964904 /nfs/dbraw/zinc/96/49/04/521964904.db2.gz VSQRJSHVARCFRK-APSNUPSMSA-N 0 0 399.443 3.404 10 30 GGEERN COc1cc(NC(=NC(=O)c2ccccc2)NCc2ccncc2)cc(OC)c1 ZINC000035481017 522630521 /nfs/dbraw/zinc/63/05/21/522630521.db2.gz VPOAKEPAFFKSSF-UHFFFAOYSA-N 0 0 390.443 3.497 10 30 GGEERN COCc1cc(=O)[nH]c(NC(=N)Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1 ZINC000020459038 522905999 /nfs/dbraw/zinc/90/59/99/522905999.db2.gz RWCDZNPSFUHOSN-UHFFFAOYSA-N 0 0 399.838 3.420 10 30 GGEERN COc1ccc(/N=C2/S[C@@H](C(=O)Nc3ccccc3OC)CC(=O)N2C)cc1 ZINC000083309702 523466307 /nfs/dbraw/zinc/46/63/07/523466307.db2.gz KUDGLNNBGFRKFY-SGRLSNSRSA-N 0 0 399.472 3.294 10 30 GGEERN COc1ccc(C(=O)COC(=O)C=Cc2ccc(OCC#N)c(OC)c2)cc1 ZINC000004318986 523586609 /nfs/dbraw/zinc/58/66/09/523586609.db2.gz USZDKOWISVMVEO-ONNFQVAWSA-N 0 0 381.384 3.045 10 30 GGEERN COc1ccc(C(C)=O)cc1COC(=O)CO/N=C(/C)c1ccc2c(c1)OCO2 ZINC000038437666 523792943 /nfs/dbraw/zinc/79/29/43/523792943.db2.gz KJBWQUIQBOOZTN-XKZIYDEJSA-N 0 0 399.399 3.111 10 30 GGEERN CN(C)/N=C1\c2ccccc2N(CN2CCC(Cc3ccccc3)CC2)C1=O ZINC000033339045 523969514 /nfs/dbraw/zinc/96/95/14/523969514.db2.gz UBTNLCDBSAXSDQ-ZNTNEXAZSA-N 0 0 376.504 3.211 10 30 GGEERN COc1ccc(CN2CC(=O)C(c3nc4ccccc4s3)=C2N)c(OC)c1 ZINC000064838173 524023660 /nfs/dbraw/zinc/02/36/60/524023660.db2.gz SYGCORFYGYEWCO-UHFFFAOYSA-N 0 0 381.457 3.026 10 30 GGEERN CNC(=O)CC1S/C(=N\c2ccccc2)N(CCCc2ccccc2)C1=O ZINC000020220213 524075774 /nfs/dbraw/zinc/07/57/74/524075774.db2.gz IHXHIALEZOMOQG-GLEDVZQVSA-N 0 0 381.501 3.387 10 30 GGEERN COc1cccc2cc(/C(C)=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)oc21 ZINC000027499319 524257006 /nfs/dbraw/zinc/25/70/06/524257006.db2.gz UDXUXPGNFNYCPL-VXLYETTFSA-N 0 0 398.331 3.454 10 30 GGEERN COc1ccc(NC(=NC(=O)c2ccccc2)NCc2c(C)nn(C)c2C)cc1 ZINC000032972646 524378937 /nfs/dbraw/zinc/37/89/37/524378937.db2.gz VABPBDKZPRQRSE-UHFFFAOYSA-N 0 0 391.475 3.444 10 30 GGEERN Cc1ccc(N(CCC#N)C(=O)CSc2nnnn2-c2ccccc2)cc1 ZINC000002617679 524897598 /nfs/dbraw/zinc/89/75/98/524897598.db2.gz UXQCNDVENGVHQK-UHFFFAOYSA-N 0 0 378.461 3.010 10 30 GGEERN C[C@@H]1CN(S(=O)(=O)c2ccc(/C=C\C(=O)c3ccccc3)s2)C[C@H](C)O1 ZINC000097324150 525047815 /nfs/dbraw/zinc/04/78/15/525047815.db2.gz AFRGOOVDPLUBJM-DJMZXKAPSA-N 0 0 391.514 3.442 10 30 GGEERN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nnnn4[C@H]3c3ccc(C)cc3)C2)cc1 ZINC000021775519 525233593 /nfs/dbraw/zinc/23/35/93/525233593.db2.gz AGRDEMCSKFOGIG-KKSFZXQISA-N 0 0 387.443 3.406 10 30 GGEERN COc1ccc2c(c1)O/C(=C/c1ccccc1OC(=O)N1CCOCC1)C2=O ZINC000036066060 525553476 /nfs/dbraw/zinc/55/34/76/525553476.db2.gz HUKNMXSNZAMXCO-XDHOZWIPSA-N 0 0 381.384 3.142 10 30 GGEERN COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccco2)c1 ZINC000100447273 525758100 /nfs/dbraw/zinc/75/81/00/525758100.db2.gz MLSFESWZALIOAE-LAFOYAEKSA-N 0 0 390.395 3.305 10 30 GGEERN Cc1c(O)ccc2c1CCC/C2=N\OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000058962792 525879558 /nfs/dbraw/zinc/87/95/58/525879558.db2.gz WHOAXQDPWSLEKX-KNTRCKAVSA-N 0 0 385.332 3.414 10 30 GGEERN CSc1ccc(/C=C\C(=O)OCc2nc3ccccc3c(=O)n2CC#N)cc1 ZINC000033462844 525952477 /nfs/dbraw/zinc/95/24/77/525952477.db2.gz KHUXBPQTAVYUQJ-FLIBITNWSA-N 0 0 391.452 3.399 10 30 GGEERN COc1cccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N\c3cccc(F)c3)S2)c1 ZINC000100372918 526199453 /nfs/dbraw/zinc/19/94/53/526199453.db2.gz KCNVABCHNAWYPA-UFIXSJTLSA-N 0 0 387.436 3.424 10 30 GGEERN N#CC1(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)CCCC1 ZINC000009614091 526437863 /nfs/dbraw/zinc/43/78/63/526437863.db2.gz QLJUUZSQJYINCQ-UHFFFAOYSA-N 0 0 387.534 3.310 10 30 GGEERN N#CC1(NC(=O)CSc2nnc(Nc3ccccc3F)s2)CCCC1 ZINC000013137775 526438449 /nfs/dbraw/zinc/43/84/49/526438449.db2.gz DCHJGSPIZRHBQK-UHFFFAOYSA-N 0 0 377.470 3.465 10 30 GGEERN Cc1noc(C(F)(F)F)c1C(=O)ONC(=N)c1ccc(C(F)(F)F)cc1 ZINC000004390366 526465851 /nfs/dbraw/zinc/46/58/51/526465851.db2.gz KVSZZVRQXCVIKX-UHFFFAOYSA-N 0 0 381.232 3.498 10 30 GGEERN N#CCSc1nc2ccccc2c(=O)n1CCCC(=O)NCc1ccccc1 ZINC000002973537 526478318 /nfs/dbraw/zinc/47/83/18/526478318.db2.gz HXFJOCBAWBCXGQ-UHFFFAOYSA-N 0 0 392.484 3.109 10 30 GGEERN C=CCNC(=O)c1ccc(-c2nnc3ccc(NC(=O)C4CCC4)cn32)cc1 ZINC000065209873 526638871 /nfs/dbraw/zinc/63/88/71/526638871.db2.gz GJSMKVCMTXHTGH-UHFFFAOYSA-N 0 0 375.432 3.051 10 30 GGEERN C=CCO[C@@H]1O[C@@H](C)[C@H](O)[C@@H](OCc2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000044166910 526820804 /nfs/dbraw/zinc/82/08/04/526820804.db2.gz YJCAPLCOTDGLOK-PBRHZFIZSA-N 0 0 398.455 3.106 10 30 GGEERN C=CCSc1nnc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)s1 ZINC000016008063 527014396 /nfs/dbraw/zinc/01/43/96/527014396.db2.gz QCXBEKAVZQCLRM-CYBMUJFWSA-N 0 0 388.518 3.425 10 30 GGEERN C=CCSc1nnc(NC(=O)/C=C\c2nnc3c4ccccc4cnn23)s1 ZINC000096815132 527015071 /nfs/dbraw/zinc/01/50/71/527015071.db2.gz JBQNYDWECLIZIV-FPLPWBNLSA-N 0 0 395.473 3.059 10 30 GGEERN NC(=O)c1cc(C2=NN/C(=N\c3cccc(C(F)(F)F)c3)SC2)ccc1O ZINC000012554826 527024879 /nfs/dbraw/zinc/02/48/79/527024879.db2.gz SNXFALKLNQFDCX-UHFFFAOYSA-N 0 0 394.378 3.238 10 30 GGEERN O=C(Nc1ccc(Cl)cc1)C(=C1Nc2ccc([N+](=O)[O-])cc2N1)[N+](=O)[O-] ZINC000100788475 527178047 /nfs/dbraw/zinc/17/80/47/527178047.db2.gz JSFGCTUDVWUVJR-YPKPFQOOSA-N 0 0 375.728 3.170 10 30 GGEERN C=CC[C@]12C=C(OC)C(=O)[C@H](C1=O)[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]2C ZINC000261493086 527227890 /nfs/dbraw/zinc/22/78/90/527227890.db2.gz OKURGHZJDGLSIP-LTALHYLXSA-N 0 0 386.444 3.307 10 30 biogenic GGEERN Cc1nccc(-c2cccc(N/N=C(\C#N)S(=O)(=O)c3ccccc3)c2)n1 ZINC000001037623 527321959 /nfs/dbraw/zinc/32/19/59/527321959.db2.gz CQMYQDFTKSRFLR-LYBHJNIJSA-N 0 0 377.429 3.175 10 30 GGEERN O=C(C=CNc1ccccc1C(=O)OCC(=O)NC1CCCCC1)C(F)(F)F ZINC000003222069 527597962 /nfs/dbraw/zinc/59/79/62/527597962.db2.gz RAEMYZVDJJFIBN-ZHACJKMWSA-N 0 0 398.381 3.349 10 30 GGEERN O=C(/C=C\N1CCC[C@H]1C(=O)OCc1nc2ccccc2s1)C(F)(F)F ZINC000033746435 527652634 /nfs/dbraw/zinc/65/26/34/527652634.db2.gz FACZTEGAGQEXCN-UPZNUWHASA-N 0 0 384.379 3.449 10 30 GGEERN O=C(/C=C\c1cn(C[C@@H](O)CN2CCOCC2)c2ccccc12)c1cccs1 ZINC000033531629 527660062 /nfs/dbraw/zinc/66/00/62/527660062.db2.gz KNSVPMPQEKEHRK-ZEVQVBBLSA-N 0 0 396.512 3.292 10 30 GGEERN CC(C)c1noc(CCC(=O)N2C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C2)n1 ZINC000328593822 528490161 /nfs/dbraw/zinc/49/01/61/528490161.db2.gz NPUZBVFQLRZXIE-JLTOFOAXSA-N 0 0 394.516 3.339 10 30 GGEERN CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)N4CCCC4)CC3)c2c1 ZINC000064473939 535445080 /nfs/dbraw/zinc/44/50/80/535445080.db2.gz WGPAVXSOJJSYLW-UHFFFAOYSA-N 0 0 378.476 3.344 10 30 GGEERN CCc1csc([C@@H]2CCCN(S(=O)(=O)c3cc(C#N)ccc3C)C2)n1 ZINC000114741053 564181570 /nfs/dbraw/zinc/18/15/70/564181570.db2.gz FWIHVCKIZUKHTI-OAHLLOKOSA-N 0 0 375.519 3.454 10 30 GGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCc2nc(CC)nn2C1 ZINC000114975636 564184922 /nfs/dbraw/zinc/18/49/22/564184922.db2.gz DOBQAXSAOLKFES-LBPRGKRZSA-N 0 0 379.917 3.268 10 30 GGEERN N#Cc1ccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2Cl)cc1 ZINC000003286994 564195403 /nfs/dbraw/zinc/19/54/03/564195403.db2.gz LIVPSSGBPGOKON-UHFFFAOYSA-N 0 0 377.227 3.381 10 30 GGEERN CN(C)/C=N/S(=O)(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000004300251 564202460 /nfs/dbraw/zinc/20/24/60/564202460.db2.gz SBCGTXUIHXBMDW-LICLKQGHSA-N 0 0 383.813 3.319 10 30 GGEERN Cc1ccc([C@@H]2CSCCN2S(=O)(=O)c2ccc(F)c(C#N)c2)cc1 ZINC000116376268 564209472 /nfs/dbraw/zinc/20/94/72/564209472.db2.gz OALDDWCIGUSLLQ-SFHVURJKSA-N 0 0 376.478 3.485 10 30 GGEERN Cc1c(C[S@@](C)=O)cccc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000116712260 564215018 /nfs/dbraw/zinc/21/50/18/564215018.db2.gz LJALXEURXKHJOV-QHCPKHFHSA-N 0 0 382.894 3.199 10 30 GGEERN Cc1c(C[S@](C)=O)cccc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000116712258 564215108 /nfs/dbraw/zinc/21/51/08/564215108.db2.gz LJALXEURXKHJOV-HSZRJFAPSA-N 0 0 382.894 3.199 10 30 GGEERN CCOC(=O)c1sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)nc1C ZINC000005473914 564216381 /nfs/dbraw/zinc/21/63/81/564216381.db2.gz UGKDWPNWYYDGDJ-UHFFFAOYSA-N 0 0 382.257 3.400 10 30 GGEERN CCOc1ccc(Br)c(/C=N/NS(=O)(=O)c2ccccc2)c1 ZINC000005475219 564216713 /nfs/dbraw/zinc/21/67/13/564216713.db2.gz DSBGPSMITYOWON-GZTJUZNOSA-N 0 0 383.267 3.160 10 30 GGEERN CCOc1ccc(Br)c(/C=N/NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000005475216 564216761 /nfs/dbraw/zinc/21/67/61/564216761.db2.gz ATVZVAOTIXSCGM-WOJGMQOQSA-N 0 0 397.294 3.469 10 30 GGEERN CCOC(=O)c1sc(N)c(C#N)c1CSc1ccc2c(c1)OCCO2 ZINC000006849415 564228302 /nfs/dbraw/zinc/22/83/02/564228302.db2.gz PAULDSBCPUKGLJ-UHFFFAOYSA-N 0 0 376.459 3.442 10 30 GGEERN COC(=O)C1=NN(c2cccc(C)c2)[C@@]2(S1)SC(C(C)=O)=C(C)N2C ZINC000006809974 564228350 /nfs/dbraw/zinc/22/83/50/564228350.db2.gz XYTYVUGEXQCXEA-QGZVFWFLSA-N 0 0 377.491 3.145 10 30 GGEERN N#Cc1cc(S(=O)(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)ccc1F ZINC000118435603 564240424 /nfs/dbraw/zinc/24/04/24/564240424.db2.gz ZNXMDTZAQPVLJW-CQSZACIVSA-N 0 0 376.306 3.418 10 30 GGEERN N#Cc1ccc(OC[C@H](O)CN2CCc3cccc(Br)c3C2)cc1 ZINC000118411250 564240923 /nfs/dbraw/zinc/24/09/23/564240923.db2.gz HWZXIEXPZIIXLZ-MRXNPFEDSA-N 0 0 387.277 3.119 10 30 GGEERN Cc1cc(Cl)c(S(=O)(=O)NN=Cc2ccc3c(c2)OCO3)c(Cl)c1 ZINC000008666966 564250908 /nfs/dbraw/zinc/25/09/08/564250908.db2.gz FTIDFXHSQPSAKF-UHFFFAOYSA-N 0 0 387.244 3.343 10 30 GGEERN C=CCSc1nnc(NC(=O)CSc2ccc3c(c2)OCCO3)s1 ZINC000009114106 564253387 /nfs/dbraw/zinc/25/33/87/564253387.db2.gz SQGHBTXQGGWDGN-UHFFFAOYSA-N 0 0 381.504 3.318 10 30 GGEERN C=CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nc2ccsc2c1=O ZINC000009691186 564254053 /nfs/dbraw/zinc/25/40/53/564254053.db2.gz YVDSGLBDWZIBLE-STQMWFEESA-N 0 0 377.535 3.431 10 30 GGEERN N#CCSc1nc2ccc(Br)cc2c(=O)n1Cc1ccco1 ZINC000009726240 564254264 /nfs/dbraw/zinc/25/42/64/564254264.db2.gz FTTOFXNUHQRCJU-UHFFFAOYSA-N 0 0 376.235 3.416 10 30 GGEERN C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nc2ccsc2c1=O ZINC000009691188 564254415 /nfs/dbraw/zinc/25/44/15/564254415.db2.gz YVDSGLBDWZIBLE-QWHCGFSZSA-N 0 0 377.535 3.431 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)NCc1ccccc1 ZINC000013747492 564278548 /nfs/dbraw/zinc/27/85/48/564278548.db2.gz WMSMBYFDNNWGGR-UHFFFAOYSA-N 0 0 375.222 3.025 10 30 GGEERN COc1ccc([C@H](C)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1OC ZINC000119627346 564280164 /nfs/dbraw/zinc/28/01/64/564280164.db2.gz SRAVKRNIWGGDLF-NSHDSACASA-N 0 0 380.853 3.268 10 30 GGEERN C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000017959744 564300137 /nfs/dbraw/zinc/30/01/37/564300137.db2.gz NYVCOMFSOZUQPR-ZDUSSCGKSA-N 0 0 378.881 3.295 10 30 GGEERN O=C1c2sccc2N(Cc2ccc(F)cc2)S(=O)(=O)C1=CNC1CC1 ZINC000020575828 564306944 /nfs/dbraw/zinc/30/69/44/564306944.db2.gz KCBYXXIMYZDXRY-DHDCSXOGSA-N 0 0 378.450 3.013 10 30 GGEERN N#Cc1cccc(CNC(=O)c2c(F)cccc2I)c1 ZINC000120423777 564320178 /nfs/dbraw/zinc/32/01/78/564320178.db2.gz RDJAKOQITONBHR-UHFFFAOYSA-N 0 0 380.160 3.232 10 30 GGEERN C=CCCCN(C)C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000120516281 564323563 /nfs/dbraw/zinc/32/35/63/564323563.db2.gz DZOSACKAJHZYGK-UHFFFAOYSA-N 0 0 378.274 3.342 10 30 GGEERN C=CCNc1nnc(SCc2nc(=O)c3c4c(sc3[nH]2)CCC4)s1 ZINC000023583087 564326472 /nfs/dbraw/zinc/32/64/72/564326472.db2.gz UBARQYGFBOANGT-UHFFFAOYSA-N 0 0 377.520 3.215 10 30 GGEERN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cc(CC)[nH]n1 ZINC000120729095 564334768 /nfs/dbraw/zinc/33/47/68/564334768.db2.gz PPQWDCKRDQGKKR-UHFFFAOYSA-N 0 0 393.241 3.022 10 30 GGEERN COc1ccc(CSCc2ccc(S(=O)(=O)N(C)C)cc2)cc1C#N ZINC000121343169 564364447 /nfs/dbraw/zinc/36/44/47/564364447.db2.gz LXTUNYGCLCTORX-UHFFFAOYSA-N 0 0 376.503 3.251 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCc2nc(C(F)(F)F)cs2)ccc1Cl ZINC000121563225 564374531 /nfs/dbraw/zinc/37/45/31/564374531.db2.gz QZWIRNXJOHWJRW-UHFFFAOYSA-N 0 0 381.788 3.165 10 30 GGEERN C=CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(Cl)cc2)c1 ZINC000030845723 564384359 /nfs/dbraw/zinc/38/43/59/564384359.db2.gz JANZEEBIHCEUMH-UHFFFAOYSA-N 0 0 378.881 3.077 10 30 GGEERN N#CCCN(CC1CC1)C(=O)c1cc(I)c(F)cc1F ZINC000122442707 564414001 /nfs/dbraw/zinc/41/40/01/564414001.db2.gz FBHBQSULCXHJSK-UHFFFAOYSA-N 0 0 390.171 3.335 10 30 GGEERN CC(C)c1nc([C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2C#N)no1 ZINC000122979005 564434530 /nfs/dbraw/zinc/43/45/30/564434530.db2.gz LNZLPTCDUWKLQW-ZDUSSCGKSA-N 0 0 380.857 3.244 10 30 GGEERN N#Cc1cc(Br)ccc1OCC(=O)Nc1ccc2c(c1)OCO2 ZINC000123170924 564440894 /nfs/dbraw/zinc/44/08/94/564440894.db2.gz ZHVVQUCJKRWYBY-UHFFFAOYSA-N 0 0 375.178 3.067 10 30 GGEERN C=CCN(Cc1nc(-c2cccc(C)c2)no1)S(=O)(=O)c1cccs1 ZINC000123244514 564442820 /nfs/dbraw/zinc/44/28/20/564442820.db2.gz VYMBHVRPBLHHNB-UHFFFAOYSA-N 0 0 375.475 3.483 10 30 GGEERN C=CCOc1c(Br)cc(CN2CCC[C@@H](C(=O)OC)C2)cc1OC ZINC000123232237 564443282 /nfs/dbraw/zinc/44/32/82/564443282.db2.gz MLXZVCQDZOCMQB-CQSZACIVSA-N 0 0 398.297 3.408 10 30 GGEERN C=CCN(CC=C)C(=O)[C@@H](C)N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000042333173 564445548 /nfs/dbraw/zinc/44/55/48/564445548.db2.gz DYTLNXQEAMYNLQ-CYBMUJFWSA-N 0 0 384.307 3.453 10 30 GGEERN C=CCN(CC=C)C(=O)[C@H](C)N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000042333171 564445624 /nfs/dbraw/zinc/44/56/24/564445624.db2.gz 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ZINC000056035786 564637368 /nfs/dbraw/zinc/63/73/68/564637368.db2.gz ZKGDHYNWPVBYQL-LLVKDONJSA-N 0 0 377.853 3.210 10 30 GGEERN C[C@H](C#N)CN(C)S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000056057802 564638416 /nfs/dbraw/zinc/63/84/16/564638416.db2.gz HFJFRQNUXLLSBR-MRVPVSSYSA-N 0 0 385.205 3.248 10 30 GGEERN COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1OC ZINC000056093232 564640072 /nfs/dbraw/zinc/64/00/72/564640072.db2.gz JYYRMWWOKLAESV-LLVKDONJSA-N 0 0 380.853 3.268 10 30 GGEERN CCOc1ccc(C#N)cc1NC(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000056477147 564648817 /nfs/dbraw/zinc/64/88/17/564648817.db2.gz ARWJVSOZKSCFGU-UHFFFAOYSA-N 0 0 378.837 3.023 10 30 GGEERN Cc1cc(N2CCC[C@H](Nc3cnc(C#N)cn3)C2=O)ccc1Br ZINC000129990306 564666950 /nfs/dbraw/zinc/66/69/50/564666950.db2.gz NXHMNANBTSBWJQ-HNNXBMFYSA-N 0 0 386.253 3.027 10 30 GGEERN CS(=O)(=O)c1csc(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)c1 ZINC000130464256 564682207 /nfs/dbraw/zinc/68/22/07/564682207.db2.gz ACRNJASQPICQHE-LLVKDONJSA-N 0 0 389.285 3.453 10 30 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CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000067346640 564788623 /nfs/dbraw/zinc/78/86/23/564788623.db2.gz DAZNTHMPWVFTLY-JTQLQIEISA-N 0 0 377.853 3.488 10 30 GGEERN C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)CCCCOC ZINC000134041308 564791857 /nfs/dbraw/zinc/79/18/57/564791857.db2.gz WTSICKBZVUMISM-UHFFFAOYSA-N 0 0 394.306 3.333 10 30 GGEERN N#C[C@@H](NC(=O)Cn1cc(-c2ccccc2)nn1)c1cccc(Br)c1 ZINC000135517696 564832813 /nfs/dbraw/zinc/83/28/13/564832813.db2.gz FBCGRQLSCNYVBH-MRXNPFEDSA-N 0 0 396.248 3.089 10 30 GGEERN C[C@@H](Oc1ccccc1C#N)C(=O)NCCOc1ncc(Cl)cc1Cl ZINC000135836423 564840869 /nfs/dbraw/zinc/84/08/69/564840869.db2.gz XTFPBCHMRRUERZ-LLVKDONJSA-N 0 0 380.231 3.223 10 30 GGEERN CN(Cc1csc(Br)c1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000071140734 564855941 /nfs/dbraw/zinc/85/59/41/564855941.db2.gz NFOBKNVKQBKVIS-UHFFFAOYSA-N 0 0 389.271 3.342 10 30 GGEERN N#C[C@H](NC(=O)c1cnn2cc(Br)cnc12)c1ccc(Cl)cc1 ZINC000094123338 564897111 /nfs/dbraw/zinc/89/71/11/564897111.db2.gz 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/nfs/dbraw/zinc/98/23/23/564982323.db2.gz IJNJSAPYFOVJGX-JTQLQIEISA-N 0 0 388.649 3.257 10 30 GGEERN Cc1nn(C)c(C)c1[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000106368875 564983151 /nfs/dbraw/zinc/98/31/51/564983151.db2.gz PICBIXILOAILKX-MRXNPFEDSA-N 0 0 378.885 3.088 10 30 GGEERN N#CCc1ccc(OC[C@@H](O)COc2cc(F)ccc2Br)cc1 ZINC000153827623 565013500 /nfs/dbraw/zinc/01/35/00/565013500.db2.gz MEGXXTJTTMZELB-CQSZACIVSA-N 0 0 380.213 3.473 10 30 GGEERN Cc1ccc(I)c(C(=O)NCc2cccc(C#N)c2)c1 ZINC000153869028 565015152 /nfs/dbraw/zinc/01/51/52/565015152.db2.gz YWZJOVYASDNKSA-UHFFFAOYSA-N 0 0 376.197 3.401 10 30 GGEERN CCOc1cc(Br)c(CC(=O)N[C@H](C#N)C2CC2)cc1OCC ZINC000108833655 565017022 /nfs/dbraw/zinc/01/70/22/565017022.db2.gz IOMCLGNWOJYQLI-CQSZACIVSA-N 0 0 381.270 3.207 10 30 GGEERN Cc1cc(S(=O)(=O)N(CCC#N)c2ccc3c(c2)OCCO3)c(C)s1 ZINC000108761639 565017122 /nfs/dbraw/zinc/01/71/22/565017122.db2.gz RZRJVSIHGUHDDV-UHFFFAOYSA-N 0 0 378.475 3.245 10 30 GGEERN N#C[C@H](NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1)C1CC1 ZINC000108827751 565017495 /nfs/dbraw/zinc/01/74/95/565017495.db2.gz IRHPFUBRESJXRY-ZDUSSCGKSA-N 0 0 388.221 3.326 10 30 GGEERN N#C[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc21)c1cccc(Cl)c1Cl ZINC000108819588 565017552 /nfs/dbraw/zinc/01/75/52/565017552.db2.gz UCFKYGMCXSBEQV-ZDUSSCGKSA-N 0 0 375.215 3.017 10 30 GGEERN CCn1c(SCC(=O)N[C@@H](C#N)C2CC2)nnc1-c1ccc(Cl)cc1 ZINC000108840678 565017951 /nfs/dbraw/zinc/01/79/51/565017951.db2.gz IFPKMPOEYVFOLG-AWEZNQCLSA-N 0 0 375.885 3.129 10 30 GGEERN N#Cc1ccc(OCCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000154018802 565022883 /nfs/dbraw/zinc/02/28/83/565022883.db2.gz CSKNCZHEWAPEIL-UHFFFAOYSA-N 0 0 390.193 3.038 10 30 GGEERN CCN(CC)[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccco1 ZINC000109389391 565024894 /nfs/dbraw/zinc/02/48/94/565024894.db2.gz KSMYTAJSPLCMHZ-INIZCTEOSA-N 0 0 381.885 3.166 10 30 GGEERN N#Cc1ccc(CNC(=O)c2ccccc2I)c(F)c1 ZINC000109541711 565026953 /nfs/dbraw/zinc/02/69/53/565026953.db2.gz TWKAUUUXVVECSE-UHFFFAOYSA-N 0 0 380.160 3.232 10 30 GGEERN COc1ccc([C@H]2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)C2)cc1 ZINC000109961593 565034436 /nfs/dbraw/zinc/03/44/36/565034436.db2.gz AKDHDAMRBLIJBG-AWEZNQCLSA-N 0 0 376.865 3.398 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000154375483 565036139 /nfs/dbraw/zinc/03/61/39/565036139.db2.gz CZFNCGSBQJPZPI-UHFFFAOYSA-N 0 0 377.853 3.023 10 30 GGEERN C=CCn1c(SC[C@@H](C)CS(C)(=O)=O)nc2cc(Cl)ccc2c1=O ZINC000154435888 565039322 /nfs/dbraw/zinc/03/93/22/565039322.db2.gz GUIDYBBSRBWWKD-LLVKDONJSA-N 0 0 386.926 3.009 10 30 GGEERN N#Cc1ccc(CNS(=O)(=O)c2ccc(Br)cc2F)c(F)c1 ZINC000154466219 565040264 /nfs/dbraw/zinc/04/02/64/565040264.db2.gz KFJYSGAANVDSEI-UHFFFAOYSA-N 0 0 387.205 3.077 10 30 GGEERN Cc1c(NC(=O)c2sccc2C#N)cccc1S(=O)(=O)NC(C)(C)C ZINC000154684692 565048968 /nfs/dbraw/zinc/04/89/68/565048968.db2.gz DIMVABVPGRSBQD-UHFFFAOYSA-N 0 0 377.491 3.257 10 30 GGEERN CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000111223682 565051053 /nfs/dbraw/zinc/05/10/53/565051053.db2.gz VJNDTERBFSEWJK-CJNGLKHVSA-N 0 0 384.307 3.453 10 30 GGEERN Cc1nc(NC(=O)c2cnc(-c3cnn(C)c3)s2)sc1SCC#N ZINC000112170682 565059687 /nfs/dbraw/zinc/05/96/87/565059687.db2.gz RGACWPXRNUDLIX-UHFFFAOYSA-N 0 0 376.492 3.177 10 30 GGEERN C=CCN(C(=O)c1ccncc1Br)c1nc(C(=O)OCC)cs1 ZINC000155131376 565062618 /nfs/dbraw/zinc/06/26/18/565062618.db2.gz JNFXHAXUNJPIOX-UHFFFAOYSA-N 0 0 396.266 3.310 10 30 GGEERN Cc1csc([C@@H](C)NS(=O)(=O)c2cc(Br)cc(C#N)c2)n1 ZINC000155184807 565063788 /nfs/dbraw/zinc/06/37/88/565063788.db2.gz OMPLIIWBZJZVPK-SECBINFHSA-N 0 0 386.296 3.125 10 30 GGEERN CCN([C@@H](C)c1cccnc1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155221047 565064683 /nfs/dbraw/zinc/06/46/83/565064683.db2.gz WMPAYHGQMOGWIN-LBPRGKRZSA-N 0 0 394.294 3.488 10 30 GGEERN CC[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)c1nccs1 ZINC000155234247 565064908 /nfs/dbraw/zinc/06/49/08/565064908.db2.gz WWBCDOPBRWQJDM-GFCCVEGCSA-N 0 0 386.296 3.207 10 30 GGEERN C[C@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000112624749 565064933 /nfs/dbraw/zinc/06/49/33/565064933.db2.gz JIJDFYLZLAWOSB-GUYCJALGSA-N 0 0 376.865 3.362 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)NC(C1CC1)C1CC1 ZINC000155388159 565066979 /nfs/dbraw/zinc/06/69/79/565066979.db2.gz RCPJJEWKVLSOMZ-UHFFFAOYSA-N 0 0 379.254 3.013 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)NCc1ccc(C)cc1 ZINC000155390975 565067344 /nfs/dbraw/zinc/06/73/44/565067344.db2.gz JRJSHKSCOAPLAW-UHFFFAOYSA-N 0 0 389.249 3.333 10 30 GGEERN N#Cc1c(N)sc2c1CCN(c1ncnc3ccc(Br)cc31)C2 ZINC000112963962 565067359 /nfs/dbraw/zinc/06/73/59/565067359.db2.gz NDVRWNMGHYYBLA-UHFFFAOYSA-N 0 0 386.278 3.470 10 30 GGEERN N#C[C@H](NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000113175284 565068263 /nfs/dbraw/zinc/06/82/63/565068263.db2.gz FTNPYBRXCQNNFS-HNNXBMFYSA-N 0 0 383.256 3.148 10 30 GGEERN N#C[C@@H](NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000113175283 565068305 /nfs/dbraw/zinc/06/83/05/565068305.db2.gz FTNPYBRXCQNNFS-OAHLLOKOSA-N 0 0 383.256 3.148 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCC(Cc3ccccn3)CC2)c(Cl)c1 ZINC000183655014 565084504 /nfs/dbraw/zinc/08/45/04/565084504.db2.gz RGYVDSLJSZKREH-UHFFFAOYSA-N 0 0 375.881 3.250 10 30 GGEERN N#Cc1cccnc1-n1cc(NC(=O)c2ccc(F)cc2Br)cn1 ZINC000183671886 565086174 /nfs/dbraw/zinc/08/61/74/565086174.db2.gz WOZJLVFVLIVZLS-UHFFFAOYSA-N 0 0 386.184 3.293 10 30 GGEERN COC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H](C#N)c2ccc(Br)cc2)C1 ZINC000266824536 565093119 /nfs/dbraw/zinc/09/31/19/565093119.db2.gz LJRPVEVUJSDHBC-NFAWXSAZSA-N 0 0 379.254 3.109 10 30 GGEERN COc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2C#N)cc1OC ZINC000156572708 565094958 /nfs/dbraw/zinc/09/49/58/565094958.db2.gz IJZODAQIVGTIEU-NSHDSACASA-N 0 0 380.853 3.268 10 30 GGEERN CC[C@@H](CC#N)NC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000183885465 565101499 /nfs/dbraw/zinc/10/14/99/565101499.db2.gz AOGHKNUMHBAQKP-ZDUSSCGKSA-N 0 0 388.269 3.329 10 30 GGEERN C[C@]12CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C[C@H]1C2(F)F ZINC000292192476 565104266 /nfs/dbraw/zinc/10/42/66/565104266.db2.gz GCKFCQPBIKLFNN-OLZOCXBDSA-N 0 0 380.338 3.243 10 30 GGEERN CCc1nc(C)c([C@H](C)N(C)CCS(=O)(=O)c2cccc(C#N)c2)s1 ZINC000156784743 565105152 /nfs/dbraw/zinc/10/51/52/565105152.db2.gz MVDCSPXPYAQIBX-AWEZNQCLSA-N 0 0 377.535 3.352 10 30 GGEERN N#Cc1ccc(Br)cc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000184055840 565112501 /nfs/dbraw/zinc/11/25/01/565112501.db2.gz JJIFOPYYDRVOPH-LBPRGKRZSA-N 0 0 376.254 3.050 10 30 GGEERN N#Cc1ccc(Br)cc1NC(=O)CCc1nc(-c2ccccn2)no1 ZINC000184074286 565113754 /nfs/dbraw/zinc/11/37/54/565113754.db2.gz SYVMEGNMDFSQCY-UHFFFAOYSA-N 0 0 398.220 3.337 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)ccc1F ZINC000184236897 565121616 /nfs/dbraw/zinc/12/16/16/565121616.db2.gz QCWSIRRCVLXXJX-KRWDZBQOSA-N 0 0 380.828 3.113 10 30 GGEERN CCc1csc([C@@H]2CCCN(S(=O)(=O)c3cccc(C)c3C#N)C2)n1 ZINC000157555393 565135829 /nfs/dbraw/zinc/13/58/29/565135829.db2.gz NRKWZEZQIXNVQA-CQSZACIVSA-N 0 0 375.519 3.454 10 30 GGEERN Cc1nn(C)c(C)c1[C@H]1CCCN1S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184495658 565139657 /nfs/dbraw/zinc/13/96/57/565139657.db2.gz YHZUJOZPEOUUBL-OAHLLOKOSA-N 0 0 378.885 3.088 10 30 GGEERN N#Cc1cccnc1-n1cc(NC(=O)NCc2ccc(Br)cc2)cn1 ZINC000184602884 565146432 /nfs/dbraw/zinc/14/64/32/565146432.db2.gz BTZDQZVETBTRQY-UHFFFAOYSA-N 0 0 397.236 3.223 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc(Br)cc1S(C)(=O)=O ZINC000157852737 565146759 /nfs/dbraw/zinc/14/67/59/565146759.db2.gz SJXHEKVRJPUJIR-UHFFFAOYSA-N 0 0 393.262 3.285 10 30 GGEERN C=CC[C@@H](CO)NC(=O)Nc1cc(OCC)c(OCC)cc1Br ZINC000184587959 565147128 /nfs/dbraw/zinc/14/71/28/565147128.db2.gz KQSQPVFUKQNBRU-NSHDSACASA-N 0 0 387.274 3.305 10 30 GGEERN Cc1c(Br)cc(C#N)c(=O)n1CC1CCN(C(=O)CC(C)C)CC1 ZINC000185037103 565173263 /nfs/dbraw/zinc/17/32/63/565173263.db2.gz NSDQLZJQPYUSLV-UHFFFAOYSA-N 0 0 394.313 3.076 10 30 GGEERN N#Cc1cccnc1-n1cc(NCc2cc(Br)cc3c2OCC3)cn1 ZINC000185064044 565175058 /nfs/dbraw/zinc/17/50/58/565175058.db2.gz HMUUFYFMQDICOY-UHFFFAOYSA-N 0 0 396.248 3.448 10 30 GGEERN Cc1c(Br)scc1C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000185164422 565183442 /nfs/dbraw/zinc/18/34/42/565183442.db2.gz QFQVOHVYZJZUSB-UHFFFAOYSA-N 0 0 391.294 3.048 10 30 GGEERN COC(=O)[C@@H](NCCOc1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000158973780 565189133 /nfs/dbraw/zinc/18/91/33/565189133.db2.gz ONTXVQHBXFFIAT-KRWDZBQOSA-N 0 0 389.249 3.203 10 30 GGEERN CCC1(CC)CN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[S@]1=O ZINC000185251166 565190551 /nfs/dbraw/zinc/19/05/51/565190551.db2.gz YKBCUVSLMBUGDZ-RUZDIDTESA-N 0 0 381.929 3.163 10 30 GGEERN C=C(C)C[C@H](C)C(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000185379503 565198043 /nfs/dbraw/zinc/19/80/43/565198043.db2.gz NYKGCQBTZYFPOL-ZDUSSCGKSA-N 0 0 390.958 3.227 10 30 GGEERN CSCc1noc(CCC(=O)N[C@@H](C#N)c2ccc(Br)cc2)n1 ZINC000269699972 565198048 /nfs/dbraw/zinc/19/80/48/565198048.db2.gz RCCGJMMSMBRPDN-LBPRGKRZSA-N 0 0 395.282 3.009 10 30 GGEERN Cn1cc(C#N)cc1C(=O)N1CCC(Oc2cccc(Br)c2)CC1 ZINC000185370904 565198362 /nfs/dbraw/zinc/19/83/62/565198362.db2.gz DPJFXNAITCSHCM-UHFFFAOYSA-N 0 0 388.265 3.343 10 30 GGEERN C=CC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC000185383649 565198411 /nfs/dbraw/zinc/19/84/11/565198411.db2.gz NDOMCUCMETVLNI-BBRMVZONSA-N 0 0 387.307 3.191 10 30 GGEERN COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)c1cccc(Br)c1 ZINC000185433812 565201616 /nfs/dbraw/zinc/20/16/16/565201616.db2.gz KGHCRSUUVQPHAE-LLVKDONJSA-N 0 0 395.278 3.369 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)c(Cl)c1 ZINC000371642138 565203393 /nfs/dbraw/zinc/20/33/93/565203393.db2.gz LRCBJMGZTYKTQA-QAPCUYQASA-N 0 0 376.865 3.268 10 30 GGEERN C=C(C)C[C@@H](C)C(=O)NCCCNC(=O)c1cc(OC)ccc1Br ZINC000185515517 565206363 /nfs/dbraw/zinc/20/63/63/565206363.db2.gz JWJKUNNCABOCRT-CYBMUJFWSA-N 0 0 397.313 3.296 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000159470204 565208149 /nfs/dbraw/zinc/20/81/49/565208149.db2.gz UPUARRBMARLATE-UHFFFAOYSA-N 0 0 386.249 3.340 10 30 GGEERN Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(C#N)cc1C ZINC000159521584 565209245 /nfs/dbraw/zinc/20/92/45/565209245.db2.gz OECMWDKXXBQSFU-UHFFFAOYSA-N 0 0 386.249 3.306 10 30 GGEERN C=C(C)C[C@H](C)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000185696505 565217298 /nfs/dbraw/zinc/21/72/98/565217298.db2.gz ZTPIEISXLBJHMQ-HNNXBMFYSA-N 0 0 384.567 3.184 10 30 GGEERN C=CC[C@H](CO)NC(=O)CCc1ncc(-c2ccccc2Br)o1 ZINC000185741252 565219383 /nfs/dbraw/zinc/21/93/83/565219383.db2.gz JDUQNBSWJYWLGP-GFCCVEGCSA-N 0 0 379.254 3.090 10 30 GGEERN N#Cc1ccc(OCCNC(=O)N2Cc3cccc(Br)c3C2)cc1 ZINC000185762940 565220757 /nfs/dbraw/zinc/22/07/57/565220757.db2.gz RNXNGLBPSSJMCX-UHFFFAOYSA-N 0 0 386.249 3.425 10 30 GGEERN C=CC[C@H](CO)NC(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000185821417 565224055 /nfs/dbraw/zinc/22/40/55/565224055.db2.gz AVMALEZWBYDMAY-CYBMUJFWSA-N 0 0 380.238 3.288 10 30 GGEERN C=CC[C@@H](CO)NC(=O)Cc1csc(-c2cc(Br)cs2)n1 ZINC000185885033 565226662 /nfs/dbraw/zinc/22/66/62/565226662.db2.gz LVVBEKKNPITIDL-JTQLQIEISA-N 0 0 387.324 3.230 10 30 GGEERN C=CC[C@@H](CO)NC(=O)c1ccccc1C(=O)c1ccc(Br)cc1 ZINC000185904866 565227821 /nfs/dbraw/zinc/22/78/21/565227821.db2.gz OKBIGVZVJGMZNT-HNNXBMFYSA-N 0 0 388.261 3.347 10 30 GGEERN CCOC(=O)Cc1csc(S[C@@H]2CCN(c3sccc3C#N)C2=O)n1 ZINC000372678609 565249437 /nfs/dbraw/zinc/24/94/37/565249437.db2.gz DXUUGFJGTLGSHX-GFCCVEGCSA-N 0 0 393.515 3.079 10 30 GGEERN N#C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2Br)CCN1C1CC1 ZINC000372814906 565256088 /nfs/dbraw/zinc/25/60/88/565256088.db2.gz OTMWPTKNRMMDGP-LLVKDONJSA-N 0 0 383.677 3.307 10 30 GGEERN CC[C@H](CC#N)NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000186438762 565260853 /nfs/dbraw/zinc/26/08/53/565260853.db2.gz SKGGCEQKCQPBIB-SECBINFHSA-N 0 0 385.205 3.438 10 30 GGEERN CC1(C#N)CCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000372973865 565263021 /nfs/dbraw/zinc/26/30/21/565263021.db2.gz KMIHUSDUOFUAOT-ZDUSSCGKSA-N 0 0 380.275 3.499 10 30 GGEERN N#Cc1cc(Br)cnc1N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000295474956 565268307 /nfs/dbraw/zinc/26/83/07/565268307.db2.gz IXSILPXHSKWMOV-UHFFFAOYSA-N 0 0 391.313 3.381 10 30 GGEERN N#CC[C@@H]1CC[C@H](NS(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000295495421 565269198 /nfs/dbraw/zinc/26/91/98/565269198.db2.gz BEGQDLYMGFTITL-ONGXEEELSA-N 0 0 377.691 3.463 10 30 GGEERN Cc1c(S(=O)(=O)N[C@H]2CC[C@@H](CC#N)C2)cnn1-c1ccc(Cl)cc1 ZINC000295501118 565270510 /nfs/dbraw/zinc/27/05/10/565270510.db2.gz BQPFYIHJHRRODT-ZFWWWQNUSA-N 0 0 378.885 3.195 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2I)C1 ZINC000295600012 565276219 /nfs/dbraw/zinc/27/62/19/565276219.db2.gz SGCUKFGEEVMLGZ-UWVGGRQHSA-N 0 0 399.188 3.012 10 30 GGEERN CC(C)(C)OC(=O)NCC1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000295617818 565277100 /nfs/dbraw/zinc/27/71/00/565277100.db2.gz WAKHONRSCPWELC-UHFFFAOYSA-N 0 0 395.301 3.457 10 30 GGEERN N#Cc1cc(Br)cnc1N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000295697497 565281508 /nfs/dbraw/zinc/28/15/08/565281508.db2.gz PKDDQZZFWAMMFI-GOSISDBHSA-N 0 0 390.256 3.286 10 30 GGEERN Cc1c(C(=O)N2CCC(C)(C#N)CC2)nnn1-c1cccc(Br)c1 ZINC000272523033 565290509 /nfs/dbraw/zinc/29/05/09/565290509.db2.gz LRNLMCKBQMXMSS-UHFFFAOYSA-N 0 0 388.269 3.104 10 30 GGEERN CC1(C#N)CCN(C(=O)C(=O)Nc2cc(Cl)ccc2Br)CC1 ZINC000272725188 565295469 /nfs/dbraw/zinc/29/54/69/565295469.db2.gz UITWSWWDATXASM-UHFFFAOYSA-N 0 0 384.661 3.193 10 30 GGEERN CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000272758622 565297350 /nfs/dbraw/zinc/29/73/50/565297350.db2.gz YNBPRWDOSDWOKH-UHFFFAOYSA-N 0 0 384.661 3.193 10 30 GGEERN Cc1cc(F)c(Br)cc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000373700967 565298371 /nfs/dbraw/zinc/29/83/71/565298371.db2.gz PHDPBIKLIGHMRC-GFCCVEGCSA-N 0 0 381.249 3.101 10 30 GGEERN Cc1cc(F)c(Br)cc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000373700968 565298533 /nfs/dbraw/zinc/29/85/33/565298533.db2.gz PHDPBIKLIGHMRC-LBPRGKRZSA-N 0 0 381.249 3.101 10 30 GGEERN CC1(C#N)CCN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1 ZINC000272995635 565304794 /nfs/dbraw/zinc/30/47/94/565304794.db2.gz NQZWVYUDSWACMA-HNNXBMFYSA-N 0 0 377.897 3.007 10 30 GGEERN COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000373819824 565305368 /nfs/dbraw/zinc/30/53/68/565305368.db2.gz OROKLFKRAIRPQE-HNNXBMFYSA-N 0 0 378.475 3.163 10 30 GGEERN C#CCn1ccc(CN(CC)C(=O)CCc2cccc(F)c2Br)n1 ZINC000296262935 565310486 /nfs/dbraw/zinc/31/04/86/565310486.db2.gz LYKWUPDUOMELCP-UHFFFAOYSA-N 0 0 392.272 3.399 10 30 GGEERN C[C@@H]1CN(Cc2ccc(C#N)cc2Br)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374028610 565315891 /nfs/dbraw/zinc/31/58/91/565315891.db2.gz RENHPZIWNXFTNU-HBUWYVDXSA-N 0 0 379.298 3.479 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cc3c(cc2Br)CCC3)C1 ZINC000296453251 565318566 /nfs/dbraw/zinc/31/85/66/565318566.db2.gz HZPKSXWSYFWLDH-FZMZJTMJSA-N 0 0 390.281 3.075 10 30 GGEERN Cc1cc(NC(=O)C(=O)N[C@H]2CC[C@@H](CC#N)C2)c(F)cc1Br ZINC000296635688 565327030 /nfs/dbraw/zinc/32/70/30/565327030.db2.gz YPHFJXHFUPJHDP-QWRGUYRKSA-N 0 0 382.233 3.034 10 30 GGEERN C=CCN(Cc1cc(Br)ccc1F)C[C@H](C)CS(C)(=O)=O ZINC000163312852 565342139 /nfs/dbraw/zinc/34/21/39/565342139.db2.gz FBWRXXWDQTZALX-LBPRGKRZSA-N 0 0 378.307 3.257 10 30 GGEERN C=CCC(F)(F)C(=O)N(C)[C@H](CO)c1cc(OC)ccc1Br ZINC000296888328 565343184 /nfs/dbraw/zinc/34/31/84/565343184.db2.gz KYYPLPYXBHSKPG-CYBMUJFWSA-N 0 0 378.213 3.161 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)CSc2nncn2-c2cccc(Cl)c2)C1 ZINC000296907503 565344248 /nfs/dbraw/zinc/34/42/48/565344248.db2.gz MEQNIQBOJSVOAW-JSGCOSHPSA-N 0 0 375.885 3.211 10 30 GGEERN C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H]1c1ccc(Br)s1 ZINC000374584393 565346274 /nfs/dbraw/zinc/34/62/74/565346274.db2.gz KLJCDDDNVZHXDU-GHMZBOCLSA-N 0 0 392.344 3.126 10 30 GGEERN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000374584395 565346388 /nfs/dbraw/zinc/34/63/88/565346388.db2.gz KLJCDDDNVZHXDU-QWRGUYRKSA-N 0 0 392.344 3.126 10 30 GGEERN Cc1cc(NC(=O)CNC(=O)c2ccc(C#N)cc2C)ccc1Br ZINC000164157790 565356457 /nfs/dbraw/zinc/35/64/57/565356457.db2.gz ICTCFBNKKAFHHN-UHFFFAOYSA-N 0 0 386.249 3.306 10 30 GGEERN N#CC1(NC(=O)c2occc2Br)CCN(Cc2ccccc2)CC1 ZINC000374896478 565359742 /nfs/dbraw/zinc/35/97/42/565359742.db2.gz KYVYZNFJMUXYHL-UHFFFAOYSA-N 0 0 388.265 3.330 10 30 GGEERN N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2csc(Cl)c2)cc1 ZINC000187898117 565362508 /nfs/dbraw/zinc/36/25/08/565362508.db2.gz GKMYDGNPYMQJFN-ZDUSSCGKSA-N 0 0 377.878 3.427 10 30 GGEERN Cc1nsc(NC(=O)N(C)[C@@H](CO)c2cccc(Br)c2)c1C#N ZINC000297380898 565370239 /nfs/dbraw/zinc/37/02/39/565370239.db2.gz IMZKBVJEWQFJKX-ZDUSSCGKSA-N 0 0 395.282 3.283 10 30 GGEERN Cc1nsc(NC(=O)NCCC2CCN(CC(F)(F)F)CC2)c1C#N ZINC000297393817 565371131 /nfs/dbraw/zinc/37/11/31/565371131.db2.gz JTGWYKKFQAJUGD-UHFFFAOYSA-N 0 0 375.420 3.109 10 30 GGEERN Cc1cnc(CCN(C)S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)s1 ZINC000167353972 565378640 /nfs/dbraw/zinc/37/86/40/565378640.db2.gz CXSZBQWUXXLQBP-UHFFFAOYSA-N 0 0 389.424 3.205 10 30 GGEERN N#Cc1ccsc1C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000170716380 565389451 /nfs/dbraw/zinc/38/94/51/565389451.db2.gz GXJYMZWHUBAYRQ-MRXNPFEDSA-N 0 0 375.881 3.076 10 30 GGEERN N#Cc1ccsc1C(=O)NCCc1ccc(I)s1 ZINC000170712777 565389855 /nfs/dbraw/zinc/38/98/55/565389855.db2.gz CPVOJAQNJRIDJQ-UHFFFAOYSA-N 0 0 388.255 3.258 10 30 GGEERN C#CCCNC(=O)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000375569114 565395634 /nfs/dbraw/zinc/39/56/34/565395634.db2.gz GLDJDMRLBWQAQX-AWEZNQCLSA-N 0 0 389.253 3.369 10 30 GGEERN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCCC1(C)C ZINC000170867627 565397021 /nfs/dbraw/zinc/39/70/21/565397021.db2.gz MLRDGAWJRILAAH-UHFFFAOYSA-N 0 0 381.270 3.499 10 30 GGEERN Cc1cc(S(=O)(=O)NCc2ccc(C#N)cc2F)ccc1Br ZINC000170940663 565399830 /nfs/dbraw/zinc/39/98/30/565399830.db2.gz IQJRPBUPNDOZDE-UHFFFAOYSA-N 0 0 383.242 3.247 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)NC[C@@H](O)COc2cccc(Cl)c2Cl)C1 ZINC000298160157 565401935 /nfs/dbraw/zinc/40/19/35/565401935.db2.gz PSSITHCNTLPCMD-RWMBFGLXSA-N 0 0 386.279 3.115 10 30 GGEERN N#C[C@@H](NC(=O)[C@H]1CC(=O)Nc2ccccc21)c1cccc(Br)c1 ZINC000171037125 565404614 /nfs/dbraw/zinc/40/46/14/565404614.db2.gz STJDUAYDKCFEDO-GOEBONIOSA-N 0 0 384.233 3.256 10 30 GGEERN N#Cc1ccsc1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000171222392 565419140 /nfs/dbraw/zinc/41/91/40/565419140.db2.gz GVVNODXMVNJJAY-UHFFFAOYSA-N 0 0 388.250 3.097 10 30 GGEERN Cc1nsc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)c1C#N ZINC000298611413 565423125 /nfs/dbraw/zinc/42/31/25/565423125.db2.gz KQSJCNODCAIBFA-ZDUSSCGKSA-N 0 0 392.893 3.130 10 30 GGEERN CC1=C(Br)CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000376135683 565423757 /nfs/dbraw/zinc/42/37/57/565423757.db2.gz TZAVQLHNSROWGX-UHFFFAOYSA-N 0 0 387.241 3.045 10 30 GGEERN Cc1nsc(NC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)c1C#N ZINC000298766283 565428481 /nfs/dbraw/zinc/42/84/81/565428481.db2.gz VOHOGGOTZAMWGA-UHFFFAOYSA-N 0 0 379.467 3.057 10 30 GGEERN N#Cc1ccc(N2CCC(C(=O)NCc3cnc(Cl)s3)CC2)c(F)c1 ZINC000299087466 565439138 /nfs/dbraw/zinc/43/91/38/565439138.db2.gz VEDVIGNGJYUZBJ-UHFFFAOYSA-N 0 0 378.860 3.340 10 30 GGEERN C[C@@H]1C[C@@]2(CCO1)CN(Cc1ccc(Br)cc1C#N)C[C@H](C)O2 ZINC000376546756 565442517 /nfs/dbraw/zinc/44/25/17/565442517.db2.gz QOTKHTBQIZQWPP-GLJUWKHASA-N 0 0 379.298 3.479 10 30 GGEERN C=CCSc1ccccc1NC(=O)CN1CCO[C@@H](c2nccs2)C1 ZINC000171666537 565443202 /nfs/dbraw/zinc/44/32/02/565443202.db2.gz VAKPTMGQPYYJOI-OAHLLOKOSA-N 0 0 375.519 3.433 10 30 GGEERN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCO[C@H](c2nccs2)C1 ZINC000171665760 565443213 /nfs/dbraw/zinc/44/32/13/565443213.db2.gz XFEHWIYSKQXMNN-ABAIWWIYSA-N 0 0 376.869 3.069 10 30 GGEERN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCO[C@H](c2nccs2)C1 ZINC000171664138 565443292 /nfs/dbraw/zinc/44/32/92/565443292.db2.gz CMJVOEXSHFXNOV-HOCLYGCPSA-N 0 0 377.535 3.181 10 30 GGEERN N#C[C@@H](NC(=O)CC1CCC2(CC1)OCCO2)c1ccc(Br)cc1 ZINC000276294926 565443383 /nfs/dbraw/zinc/44/33/83/565443383.db2.gz INNKKIZWFMPQFB-MRXNPFEDSA-N 0 0 393.281 3.453 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Br)s2)cn1 ZINC000376610982 565445996 /nfs/dbraw/zinc/44/59/96/565445996.db2.gz PCJDWDQTHMPXRN-LBPRGKRZSA-N 0 0 398.307 3.303 10 30 GGEERN N#C[C@@H](NC(=O)CCOCC(F)(F)C(F)F)c1ccc(Br)cc1 ZINC000276543443 565452923 /nfs/dbraw/zinc/45/29/23/565452923.db2.gz IMERZKAMJNYGBW-LLVKDONJSA-N 0 0 397.166 3.437 10 30 GGEERN C[C@H](Nc1ccc(S(N)(=O)=O)cc1C#N)c1cccc(Br)c1 ZINC000301328662 565479085 /nfs/dbraw/zinc/47/90/85/565479085.db2.gz CPLHIHQZKXQIGF-JTQLQIEISA-N 0 0 380.267 3.141 10 30 GGEERN C[C@@H](Nc1ccc(S(N)(=O)=O)cc1C#N)c1cccc(Br)c1 ZINC000301328663 565479246 /nfs/dbraw/zinc/47/92/46/565479246.db2.gz CPLHIHQZKXQIGF-SNVBAGLBSA-N 0 0 380.267 3.141 10 30 GGEERN CS[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)c1cccc(Cl)c1 ZINC000301396538 565484269 /nfs/dbraw/zinc/48/42/69/565484269.db2.gz MXPJHAPVLUYHLD-INIZCTEOSA-N 0 0 381.910 3.375 10 30 GGEERN O[C@H]1C[C@H](c2cc(F)ccc2F)N(CCOCC(F)(F)C(F)(F)F)C1 ZINC000189743048 565486246 /nfs/dbraw/zinc/48/62/46/565486246.db2.gz VWZBLZJLPZKVEV-GXFFZTMASA-N 0 0 375.284 3.287 10 30 GGEERN CCO[C@H]1C[C@](NCc2ccc(C#N)cc2Br)(C(=O)OC)C1(C)C ZINC000189856795 565492046 /nfs/dbraw/zinc/49/20/46/565492046.db2.gz KOTGXDOTTXEKRI-YJBOKZPZSA-N 0 0 395.297 3.157 10 30 GGEERN CCO[C@H]1C[C@@](NCc2ccc(C#N)cc2Br)(C(=O)OC)C1(C)C ZINC000189856839 565492273 /nfs/dbraw/zinc/49/22/73/565492273.db2.gz KOTGXDOTTXEKRI-MAUKXSAKSA-N 0 0 395.297 3.157 10 30 GGEERN CCO[C@@H]1C[C@@](NCc2ccc(C#N)cc2Br)(C(=O)OC)C1(C)C ZINC000189856818 565492513 /nfs/dbraw/zinc/49/25/13/565492513.db2.gz KOTGXDOTTXEKRI-CRAIPNDOSA-N 0 0 395.297 3.157 10 30 GGEERN CS(=O)(=O)N(Cc1ccc(C#N)c(F)c1)c1cccc(Br)c1 ZINC000190075551 565506786 /nfs/dbraw/zinc/50/67/86/565506786.db2.gz PBEAPTTVMCZPML-UHFFFAOYSA-N 0 0 383.242 3.426 10 30 GGEERN N#Cc1cc(NCCNS(=O)(=O)c2cccs2)nc2ccc(Cl)cc12 ZINC000301802910 565510898 /nfs/dbraw/zinc/51/08/98/565510898.db2.gz XBTGJCFUAFCUBP-UHFFFAOYSA-N 0 0 392.893 3.212 10 30 GGEERN N#CCCCCN1C(=O)N[C@@H](Cc2c[nH]c3cccc(Br)c23)C1=O ZINC000277724004 565516294 /nfs/dbraw/zinc/51/62/94/565516294.db2.gz IIWDSLKASWEKRJ-AWEZNQCLSA-N 0 0 389.253 3.087 10 30 GGEERN COc1ccc(Br)cc1CC(=O)NCc1ccc(C#N)cc1F ZINC000172983599 565517043 /nfs/dbraw/zinc/51/70/43/565517043.db2.gz JRTSXZGIQSNTIX-UHFFFAOYSA-N 0 0 377.213 3.327 10 30 GGEERN C[C@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000173105057 565528052 /nfs/dbraw/zinc/52/80/52/565528052.db2.gz SWBANUSHXJWRHU-GUYCJALGSA-N 0 0 376.865 3.362 10 30 GGEERN CC(=O)c1ccc(C#N)cc1NCCNC(=O)c1ccc(Br)cc1 ZINC000302098876 565530280 /nfs/dbraw/zinc/53/02/80/565530280.db2.gz KLYPGRUXPFDLLL-UHFFFAOYSA-N 0 0 386.249 3.365 10 30 GGEERN CC(=O)c1ccc(C#N)cc1N1CCN(c2ccc(Br)cn2)CC1 ZINC000302112022 565531674 /nfs/dbraw/zinc/53/16/74/565531674.db2.gz PWSIQLNEZQGVHQ-UHFFFAOYSA-N 0 0 385.265 3.245 10 30 GGEERN COc1cc(Br)ccc1[C@@H](C)NCC(=O)NC1(C#N)CCCCC1 ZINC000190449607 565533256 /nfs/dbraw/zinc/53/32/56/565533256.db2.gz FKUBZHOKMZOZKC-CYBMUJFWSA-N 0 0 394.313 3.451 10 30 GGEERN N#Cc1ccnc(NC(=O)C2(c3ccc(Br)cc3)CCOCC2)c1 ZINC000277994517 565533362 /nfs/dbraw/zinc/53/33/62/565533362.db2.gz UNXJVIWBVXNKKQ-UHFFFAOYSA-N 0 0 386.249 3.403 10 30 GGEERN CC1(C#N)CCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000378563370 565534004 /nfs/dbraw/zinc/53/40/04/565534004.db2.gz LUAFQWRHXAGQPU-CYBMUJFWSA-N 0 0 380.275 3.499 10 30 GGEERN N#Cc1c(N2CCN(Cc3ccc(Br)cc3)CC2)nc2ccccn12 ZINC000302191413 565535906 /nfs/dbraw/zinc/53/59/06/565535906.db2.gz RCGZVZUZHAJAFD-UHFFFAOYSA-N 0 0 396.292 3.291 10 30 GGEERN Cc1cc(Sc2nnnn2-c2ccc(Br)cc2)c(C#N)c(C)n1 ZINC000302187461 565536141 /nfs/dbraw/zinc/53/61/41/565536141.db2.gz UTVWEYZZTXGKAI-UHFFFAOYSA-N 0 0 387.266 3.460 10 30 GGEERN N#CCSCC(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC000173322834 565547980 /nfs/dbraw/zinc/54/79/80/565547980.db2.gz LFCZSEVTQONBKM-ZDUSSCGKSA-N 0 0 386.258 3.211 10 30 GGEERN C[C@H](Cc1ccc(Br)cc1)NC(=O)Nc1ccn(CCC#N)n1 ZINC000173343728 565550129 /nfs/dbraw/zinc/55/01/29/565550129.db2.gz ZAIXPNMCJCPMLW-GFCCVEGCSA-N 0 0 376.258 3.312 10 30 GGEERN C[C@@H](Cc1ccc(Br)cc1)NC(=O)Nc1ccn(CCC#N)n1 ZINC000173343709 565550318 /nfs/dbraw/zinc/55/03/18/565550318.db2.gz ZAIXPNMCJCPMLW-LBPRGKRZSA-N 0 0 376.258 3.312 10 30 GGEERN N#Cc1cccnc1-n1cc(NC(=O)c2cccc(Br)c2F)cn1 ZINC000190672421 565550721 /nfs/dbraw/zinc/55/07/21/565550721.db2.gz HXIUPLWXYOHBKG-UHFFFAOYSA-N 0 0 386.184 3.293 10 30 GGEERN CN(CC(=O)Nc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302726423 565552976 /nfs/dbraw/zinc/55/29/76/565552976.db2.gz NWZCXZOGVLOSHZ-UHFFFAOYSA-N 0 0 380.191 3.243 10 30 GGEERN COc1ccc(Br)cc1CC(=O)N(CCC#N)Cc1ccccn1 ZINC000173526701 565563213 /nfs/dbraw/zinc/56/32/13/565563213.db2.gz RNKOKIIPLUCGBV-UHFFFAOYSA-N 0 0 388.265 3.338 10 30 GGEERN N#Cc1cc(Br)cnc1NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000393955537 565569797 /nfs/dbraw/zinc/56/97/97/565569797.db2.gz CIIHOATXCIXMHH-KRWDZBQOSA-N 0 0 387.281 3.029 10 30 GGEERN CCCNC(=O)CSc1nnc(SCc2ccc(C#N)c(F)c2)s1 ZINC000190994898 565576081 /nfs/dbraw/zinc/57/60/81/565576081.db2.gz HSQNTHQAHUPDQE-UHFFFAOYSA-N 0 0 382.511 3.459 10 30 GGEERN CC(C)c1csc([C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)nc3)C2)n1 ZINC000173718599 565578242 /nfs/dbraw/zinc/57/82/42/565578242.db2.gz BQGKRCSJMULQHT-CYBMUJFWSA-N 0 0 376.507 3.101 10 30 GGEERN N#Cc1ccc(CN2CC[C@H](NC(=O)c3cc(Cl)sc3Cl)C2=O)cc1 ZINC000191074584 565581014 /nfs/dbraw/zinc/58/10/14/565581014.db2.gz MKZKBXXVHJLVAQ-ZDUSSCGKSA-N 0 0 394.283 3.457 10 30 GGEERN CCO[C@@H](C)c1nc(CN(C)S(=O)(=O)c2ccc(F)c(C#N)c2)cs1 ZINC000173746098 565581628 /nfs/dbraw/zinc/58/16/28/565581628.db2.gz WGMJVEYNNFDYGH-NSHDSACASA-N 0 0 383.470 3.072 10 30 GGEERN Cc1ncc(S(=O)(=O)Nc2cc(Cl)ccc2Br)cc1C#N ZINC000314423935 565586132 /nfs/dbraw/zinc/58/61/32/565586132.db2.gz YEAQPDDQAGTGPL-UHFFFAOYSA-N 0 0 386.658 3.478 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CC[C@H](CC(F)(F)F)C2)cc1Br ZINC000278946041 565586233 /nfs/dbraw/zinc/58/62/33/565586233.db2.gz YVBQBEZRBWTWBF-SECBINFHSA-N 0 0 397.216 3.284 10 30 GGEERN Cc1ncc(S(=O)(=O)Nc2cc(Br)ccc2Cl)cc1C#N ZINC000314495138 565587822 /nfs/dbraw/zinc/58/78/22/565587822.db2.gz KYBSWSBBETXGGP-UHFFFAOYSA-N 0 0 386.658 3.478 10 30 GGEERN CC1(C#N)CCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000278962604 565588070 /nfs/dbraw/zinc/58/80/70/565588070.db2.gz GUXZONFDNWLTPG-HNNXBMFYSA-N 0 0 391.313 3.363 10 30 GGEERN CC(C)c1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(C#N)c(Cl)c2)no1 ZINC000173823379 565589508 /nfs/dbraw/zinc/58/95/08/565589508.db2.gz RFSASJPNUADKIW-AWEZNQCLSA-N 0 0 380.857 3.244 10 30 GGEERN N#Cc1cncc(S(=O)(=O)Nc2c(Cl)cc(F)cc2Br)c1 ZINC000315267838 565590078 /nfs/dbraw/zinc/59/00/78/565590078.db2.gz HGFJZONKRAZDSW-UHFFFAOYSA-N 0 0 390.621 3.309 10 30 GGEERN CC(C)c1nc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(C#N)c2)no1 ZINC000173823150 565590146 /nfs/dbraw/zinc/59/01/46/565590146.db2.gz HKEDBDCTBUKWIM-CQSZACIVSA-N 0 0 380.857 3.244 10 30 GGEERN N#C[C@H]1CCC[C@@H]1NS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000408061273 565593712 /nfs/dbraw/zinc/59/37/12/565593712.db2.gz VTINVBAVYFGMGX-HQJQHLMTSA-N 0 0 381.654 3.212 10 30 GGEERN COc1ccc(Br)c(C(=O)NCCOc2ccc(C#N)cc2)c1 ZINC000173901536 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Cc1cc(OC(F)F)c(C(=O)NC2CCC(C(=O)NC(N)=O)CC2)s1 ZINC000330968127 565732290 /nfs/dbraw/zinc/73/22/90/565732290.db2.gz LRBDXEJRWKOYOU-UHFFFAOYSA-N 0 0 375.397 3.130 10 30 GGEERN N#Cc1cc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)ccn1 ZINC000193091670 565732380 /nfs/dbraw/zinc/73/23/80/565732380.db2.gz JUQQEXWLTVCUPJ-UHFFFAOYSA-N 0 0 382.221 3.213 10 30 GGEERN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Nc1ccc(Br)c(OC)c1 ZINC000330977523 565733722 /nfs/dbraw/zinc/73/37/22/565733722.db2.gz CYYBABRVZQUGKO-AWEZNQCLSA-N 0 0 398.301 3.336 10 30 GGEERN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NC[C@H]1CCSC1 ZINC000330992672 565733751 /nfs/dbraw/zinc/73/37/51/565733751.db2.gz SRAXWTQUKZZWCG-SNVBAGLBSA-N 0 0 392.340 3.219 10 30 GGEERN CC(C)(C)[C@H]1CCN(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C[C@H]1O ZINC000331004114 565734213 /nfs/dbraw/zinc/73/42/13/565734213.db2.gz YJEMYUYYLYKXTH-GXTWGEPZSA-N 0 0 388.917 3.018 10 30 GGEERN C=CCN(CC(F)(F)F)C(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000175930425 565734412 /nfs/dbraw/zinc/73/44/12/565734412.db2.gz NILXERKWCCIHOZ-UHFFFAOYSA-N 0 0 389.171 3.481 10 30 GGEERN C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)c1cccc(Br)c1 ZINC000175947530 565735450 /nfs/dbraw/zinc/73/54/50/565735450.db2.gz QVOWMBLYLUKDAY-SNVBAGLBSA-N 0 0 390.212 3.276 10 30 GGEERN N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000175962172 565737145 /nfs/dbraw/zinc/73/71/45/565737145.db2.gz IRGCIWWLDYHOJF-OAHLLOKOSA-N 0 0 393.262 3.123 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000331090196 565737527 /nfs/dbraw/zinc/73/75/27/565737527.db2.gz UYPWHMSJWQLDKV-VXGBXAGGSA-N 0 0 381.270 3.213 10 30 GGEERN CS(=O)(=O)CCCCCNc1c(C#N)cnc2c(Br)cccc21 ZINC000281578399 565738211 /nfs/dbraw/zinc/73/82/11/565738211.db2.gz FQVJWQWJNYYESN-UHFFFAOYSA-N 0 0 396.310 3.496 10 30 GGEERN C[C@H]1OCC[C@]12CN(c1c(C#N)cnc3c(Br)cccc31)CCO2 ZINC000281594700 565738801 /nfs/dbraw/zinc/73/88/01/565738801.db2.gz HKSDLIGQONAOOG-XIKOKIGWSA-N 0 0 388.265 3.253 10 30 GGEERN O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)N1CCSC[C@H]1CCO ZINC000331109477 565739040 /nfs/dbraw/zinc/73/90/40/565739040.db2.gz IGMYLEITERBBDY-RNCFNFMXSA-N 0 0 384.370 3.282 10 30 GGEERN O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)N1CCSC[C@H]1CCO ZINC000331109476 565739078 /nfs/dbraw/zinc/73/90/78/565739078.db2.gz IGMYLEITERBBDY-NOZJJQNGSA-N 0 0 384.370 3.282 10 30 GGEERN COC(=O)c1c(Br)ccc(NC(=O)N2CC[C@@H](C)[C@@H](OC)C2)c1C ZINC000331131564 565741270 /nfs/dbraw/zinc/74/12/70/565741270.db2.gz TZQNVNYWURCUJJ-YGRLFVJLSA-N 0 0 399.285 3.446 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCC=C(Br)C2)c(C(F)(F)F)c1 ZINC000281717625 565743435 /nfs/dbraw/zinc/74/34/35/565743435.db2.gz BGNGULSPEAJDON-UHFFFAOYSA-N 0 0 395.200 3.250 10 30 GGEERN C[C@H]1CN(c2c(C#N)cnc3c(Br)cccc32)CC[S@@](=O)C1 ZINC000281742201 565744399 /nfs/dbraw/zinc/74/43/99/565744399.db2.gz WZUDRWWKQZSAEU-KPWVOAKYSA-N 0 0 378.295 3.074 10 30 GGEERN C[C@@H]1CN(c2c(C#N)cnc3c(Br)cccc32)CC[S@](=O)C1 ZINC000281742217 565745038 /nfs/dbraw/zinc/74/50/38/565745038.db2.gz WZUDRWWKQZSAEU-XFNZEKPQSA-N 0 0 378.295 3.074 10 30 GGEERN N#Cc1ccc(OCCNC(=O)NCc2sccc2Br)cc1 ZINC000176069499 565745596 /nfs/dbraw/zinc/74/55/96/565745596.db2.gz GUGLIHJCJABLDA-UHFFFAOYSA-N 0 0 380.267 3.260 10 30 GGEERN CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000331192865 565745799 /nfs/dbraw/zinc/74/57/99/565745799.db2.gz XNOLDLQLGKLLMP-XEGUGMAKSA-N 0 0 380.794 3.329 10 30 GGEERN N#Cc1cc(NC(=O)C(=O)NC2(C3CCC3)CCC2)ccc1Br ZINC000411689203 565746027 /nfs/dbraw/zinc/74/60/27/565746027.db2.gz CFPAJTRIMQXIOQ-UHFFFAOYSA-N 0 0 376.254 3.098 10 30 GGEERN Cc1cc(Br)ccc1CN(C)C(=O)N[C@H]1CCN(C(C)C)C1=O ZINC000331215178 565746967 /nfs/dbraw/zinc/74/69/67/565746967.db2.gz NTKCCUFXKNURRR-HNNXBMFYSA-N 0 0 382.302 3.113 10 30 GGEERN CC1(C#N)CCN(S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000281769279 565746979 /nfs/dbraw/zinc/74/69/79/565746979.db2.gz SWZBZBDHOGSTSY-UHFFFAOYSA-N 0 0 377.691 3.417 10 30 GGEERN CCOC(=O)C1(O)CCN(C(=O)Nc2cc(Cl)c(C)cc2Cl)CC1 ZINC000331266333 565750932 /nfs/dbraw/zinc/75/09/32/565750932.db2.gz CGGHASCNKIIGJA-UHFFFAOYSA-N 0 0 375.252 3.237 10 30 GGEERN Cc1c(Br)cccc1NC(=O)C(=O)NCC1CCC(C#N)CC1 ZINC000281831618 565751557 /nfs/dbraw/zinc/75/15/57/565751557.db2.gz FFOVDKMIWIPTQC-UHFFFAOYSA-N 0 0 378.270 3.142 10 30 GGEERN Cc1nc(C(F)(F)F)c(CS(=O)(=O)CCCC2(C#N)CCOCC2)s1 ZINC000281866546 565752737 /nfs/dbraw/zinc/75/27/37/565752737.db2.gz NDYZUAOLRUKMOU-UHFFFAOYSA-N 0 0 396.456 3.486 10 30 GGEERN Cc1c(Cl)cc(NC(=O)NCC(C)(C)N2CCS(=O)CC2)cc1Cl ZINC000331312401 565754261 /nfs/dbraw/zinc/75/42/61/565754261.db2.gz ZYHCGHGEOIDSKO-UHFFFAOYSA-N 0 0 392.352 3.471 10 30 GGEERN Cc1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)c(Br)c1 ZINC000281915137 565754820 /nfs/dbraw/zinc/75/48/20/565754820.db2.gz JHDPOFAYIQLWBV-UHFFFAOYSA-N 0 0 378.270 3.142 10 30 GGEERN N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)Cc2ccc(Cl)s2)cc1 ZINC000193603710 565765133 /nfs/dbraw/zinc/76/51/33/565765133.db2.gz JEIGCLCXEOUWGC-CQSZACIVSA-N 0 0 391.905 3.356 10 30 GGEERN COC(=O)c1cc(Br)cc(NC(=O)c2ccnc(C#N)c2)c1Cl ZINC000193708557 565771967 /nfs/dbraw/zinc/77/19/67/565771967.db2.gz IUODKPIOJAUUME-UHFFFAOYSA-N 0 0 394.612 3.408 10 30 GGEERN Cc1csc([C@@](O)(CC(=O)NCC2CCC(C#N)CC2)C(F)(F)F)n1 ZINC000282270277 565772769 /nfs/dbraw/zinc/77/27/69/565772769.db2.gz KLDBFRSDTRSGEG-QOZQQMKHSA-N 0 0 375.416 3.038 10 30 GGEERN CNc1cc(I)ccc1C(=O)N1CCC(C)(C#N)CC1 ZINC000412245048 565776168 /nfs/dbraw/zinc/77/61/68/565776168.db2.gz HAZWRSDJZGLEPB-UHFFFAOYSA-N 0 0 383.233 3.099 10 30 GGEERN Cn1ccnc1C[C@H]1CCCN(C(=O)c2cccc(C#N)c2Br)C1 ZINC000331718630 565778895 /nfs/dbraw/zinc/77/88/95/565778895.db2.gz HWYGOEFKMMNDRV-CYBMUJFWSA-N 0 0 387.281 3.149 10 30 GGEERN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(C#N)cn1C ZINC000176597483 565786914 /nfs/dbraw/zinc/78/69/14/565786914.db2.gz VJFGERKQUSNBJP-UHFFFAOYSA-N 0 0 379.247 3.304 10 30 GGEERN Cn1c(COc2ccc(Br)cc2)nnc1N1CCC(C)(C#N)CC1 ZINC000282593162 565787747 /nfs/dbraw/zinc/78/77/47/565787747.db2.gz XKLDUKPHNMSDKR-UHFFFAOYSA-N 0 0 390.285 3.287 10 30 GGEERN Cc1nc2ccc(Br)cn2c1C(=O)NCC1CCC(C#N)CC1 ZINC000282664567 565791264 /nfs/dbraw/zinc/79/12/64/565791264.db2.gz KAQVWBWXLAKESX-UHFFFAOYSA-N 0 0 375.270 3.465 10 30 GGEERN COC(=O)[C@H](NCc1cc(F)cc(Br)c1)c1cccc(C#N)c1 ZINC000176724928 565798132 /nfs/dbraw/zinc/79/81/32/565798132.db2.gz OWWHIGMIHPZVQN-MRXNPFEDSA-N 0 0 377.213 3.464 10 30 GGEERN Cn1cc(C#N)cc1C(=O)N(C[C@@H]1CCCO1)c1ccc(Br)cc1 ZINC000176862457 565809780 /nfs/dbraw/zinc/80/97/80/565809780.db2.gz FBZZEQSDSRZDBE-INIZCTEOSA-N 0 0 388.265 3.485 10 30 GGEERN N#CCCN(Cc1ccco1)C[C@H](O)COc1cccc(Br)c1 ZINC000194363518 565810665 /nfs/dbraw/zinc/81/06/65/565810665.db2.gz LHRCKXCGTYYBSZ-HNNXBMFYSA-N 0 0 379.254 3.198 10 30 GGEERN CN(Cc1cc(Br)cn1C)C(=O)NCc1ccc(C#N)cc1F ZINC000176973423 565819381 /nfs/dbraw/zinc/81/93/81/565819381.db2.gz KGOKVLPMSJJCAR-UHFFFAOYSA-N 0 0 379.233 3.140 10 30 GGEERN N#Cc1ccnc(C(=O)NC2CCN(Cc3cccc(Br)c3)CC2)c1 ZINC000412972260 565825754 /nfs/dbraw/zinc/82/57/54/565825754.db2.gz NQFHVLSQXPAYDI-UHFFFAOYSA-N 0 0 399.292 3.110 10 30 GGEERN N#Cc1csc(C(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)c1 ZINC000177416083 565849123 /nfs/dbraw/zinc/84/91/23/565849123.db2.gz BQQFHNCFJYVTBJ-UHFFFAOYSA-N 0 0 375.881 3.110 10 30 GGEERN N#Cc1ccc(CNC(=O)Cc2cccc(I)c2)c(F)c1 ZINC000177469688 565854273 /nfs/dbraw/zinc/85/42/73/565854273.db2.gz GTCHVCGAFJTFMD-UHFFFAOYSA-N 0 0 394.187 3.161 10 30 GGEERN CS(=O)(=O)N(Cc1ccc(Br)c(F)c1)c1cccc(C#N)c1 ZINC000177470804 565854284 /nfs/dbraw/zinc/85/42/84/565854284.db2.gz LPGFSQWFPDHPQI-UHFFFAOYSA-N 0 0 383.242 3.426 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCCc2nc3c(s2)CCCC3)ccc1Cl ZINC000195116417 565859829 /nfs/dbraw/zinc/85/98/29/565859829.db2.gz OHIOFFQPRUAKCE-UHFFFAOYSA-N 0 0 381.910 3.068 10 30 GGEERN CN1CC[C@H](NS(=O)(=O)c2ccc(C#N)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000332996647 565861616 /nfs/dbraw/zinc/86/16/16/565861616.db2.gz ATEYLXHDSXUKND-HOCLYGCPSA-N 0 0 399.900 3.136 10 30 GGEERN C=CC[C@H](Cc1ccccc1)NC(=O)NCc1nn(C)cc1Br ZINC000413592901 565861650 /nfs/dbraw/zinc/86/16/50/565861650.db2.gz MSGFREWGHLWDET-CQSZACIVSA-N 0 0 377.286 3.169 10 30 GGEERN C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1nn(C)cc1Br ZINC000413592900 565861796 /nfs/dbraw/zinc/86/17/96/565861796.db2.gz MSGFREWGHLWDET-AWEZNQCLSA-N 0 0 377.286 3.169 10 30 GGEERN CCN(CC#N)C(=O)c1cc(Br)cc(I)c1 ZINC000285021501 565883506 /nfs/dbraw/zinc/88/35/06/565883506.db2.gz HOKYKDIBGXLNGC-UHFFFAOYSA-N 0 0 393.022 3.039 10 30 GGEERN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000178416431 565917566 /nfs/dbraw/zinc/91/75/66/565917566.db2.gz CTZONDVYILTTDB-GFCCVEGCSA-N 0 0 386.249 3.445 10 30 GGEERN COc1cc(S(=O)(=O)N[C@]2(C#N)CCc3ccccc3C2)ccc1Cl ZINC000414451321 565934608 /nfs/dbraw/zinc/93/46/08/565934608.db2.gz IBKKMPVTXWNLEX-GOSISDBHSA-N 0 0 376.865 3.078 10 30 GGEERN CCN(c1ccc(C#N)c(Cl)c1)S(=O)(=O)c1c(C(F)F)c(C)nn1C ZINC000414462859 565937529 /nfs/dbraw/zinc/93/75/29/565937529.db2.gz ZHSFWICDPPPRKT-UHFFFAOYSA-N 0 0 388.827 3.406 10 30 GGEERN C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](CF)C1 ZINC000414515902 565945184 /nfs/dbraw/zinc/94/51/84/565945184.db2.gz NZYKLSRHDHVRMI-AWEZNQCLSA-N 0 0 381.249 3.068 10 30 GGEERN CSc1ccccc1OC[C@H](O)CN(Cc1nc(C#N)cs1)C(C)C ZINC000414545963 565947080 /nfs/dbraw/zinc/94/70/80/565947080.db2.gz GCNQDOFJUSSRQE-OAHLLOKOSA-N 0 0 377.535 3.387 10 30 GGEERN N#Cc1cc([N+](=O)[O-])c(N2CCCSCC2)cc1N1CCCSCC1 ZINC000286218539 565948252 /nfs/dbraw/zinc/94/82/52/565948252.db2.gz GUKYLQBVGYUHRW-UHFFFAOYSA-N 0 0 378.523 3.353 10 30 GGEERN C=CCn1c(=O)c2c(-c3cccs3)csc2nc1S[C@@H]1CCNC1=O ZINC000179003549 565952162 /nfs/dbraw/zinc/95/21/62/565952162.db2.gz WXSSJZJAKCODFE-GFCCVEGCSA-N 0 0 389.527 3.353 10 30 GGEERN C=CCn1c(=O)c2c(-c3cccs3)csc2nc1S[C@H]1CCNC1=O ZINC000179003559 565952418 /nfs/dbraw/zinc/95/24/18/565952418.db2.gz WXSSJZJAKCODFE-LBPRGKRZSA-N 0 0 389.527 3.353 10 30 GGEERN CC(=O)N1CCC[C@@H](c2noc(Cc3ccc(Br)cc3C#N)n2)C1 ZINC000351433012 565954203 /nfs/dbraw/zinc/95/42/03/565954203.db2.gz XJDGLAMWKIUECD-CYBMUJFWSA-N 0 0 389.253 3.020 10 30 GGEERN CC(=O)N1CCC[C@H](c2noc(Cc3ccc(Br)cc3C#N)n2)C1 ZINC000351433014 565954215 /nfs/dbraw/zinc/95/42/15/565954215.db2.gz XJDGLAMWKIUECD-ZDUSSCGKSA-N 0 0 389.253 3.020 10 30 GGEERN N#Cc1ccc(CNC(=O)[C@H]2COc3ccc(Br)cc32)c(F)c1 ZINC000179338224 565973651 /nfs/dbraw/zinc/97/36/51/565973651.db2.gz SKYMATZGSMXSCX-AWEZNQCLSA-N 0 0 375.197 3.252 10 30 GGEERN N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000179458252 565982164 /nfs/dbraw/zinc/98/21/64/565982164.db2.gz AQWZCJVWJAUVHJ-IBGZPJMESA-N 0 0 398.304 3.401 10 30 GGEERN N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000179458258 565982207 /nfs/dbraw/zinc/98/22/07/565982207.db2.gz AQWZCJVWJAUVHJ-LJQANCHMSA-N 0 0 398.304 3.401 10 30 GGEERN Cc1cc(Br)cc(C)c1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000363064754 565989855 /nfs/dbraw/zinc/98/98/55/565989855.db2.gz IXNODRNVFHAZNH-HNNXBMFYSA-N 0 0 377.286 3.270 10 30 GGEERN Cc1cc(Br)cc(C)c1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000363064755 565990227 /nfs/dbraw/zinc/99/02/27/565990227.db2.gz IXNODRNVFHAZNH-OAHLLOKOSA-N 0 0 377.286 3.270 10 30 GGEERN C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@@H](c2ccccc2)O1 ZINC000245717666 566002932 /nfs/dbraw/zinc/00/29/32/566002932.db2.gz OIOSHHAOAXVYIC-GUYCJALGSA-N 0 0 376.865 3.362 10 30 GGEERN Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000245778710 566005901 /nfs/dbraw/zinc/00/59/01/566005901.db2.gz BMOUJQXUYPSZAQ-HZPDHXFCSA-N 0 0 376.503 3.205 10 30 GGEERN COCCCCN(C(=O)c1ccc(C#N)nc1)c1ccc(Br)cn1 ZINC000415602966 566007863 /nfs/dbraw/zinc/00/78/63/566007863.db2.gz ZCSLCBYKZGCOHZ-UHFFFAOYSA-N 0 0 389.253 3.184 10 30 GGEERN CC(C)C(=O)N1CCC(NC(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000287373269 566015002 /nfs/dbraw/zinc/01/50/02/566015002.db2.gz ZIRGSSSJJFFQNX-UHFFFAOYSA-N 0 0 393.285 3.089 10 30 GGEERN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCO[C@@H](c2nccs2)C1 ZINC000246075165 566016399 /nfs/dbraw/zinc/01/63/99/566016399.db2.gz CMJVOEXSHFXNOV-GDBMZVCRSA-N 0 0 377.535 3.181 10 30 GGEERN CS(=O)(=O)N(Cc1c(F)cccc1Br)c1ccc(C#N)cc1 ZINC000179898931 566017528 /nfs/dbraw/zinc/01/75/28/566017528.db2.gz OAYIOVUGMXANLG-UHFFFAOYSA-N 0 0 383.242 3.426 10 30 GGEERN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCO[C@@H](c2nccs2)C1 ZINC000246197448 566021904 /nfs/dbraw/zinc/02/19/04/566021904.db2.gz XFEHWIYSKQXMNN-XHDPSFHLSA-N 0 0 376.869 3.069 10 30 GGEERN N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC=C(Br)C3)C2)c(F)c1 ZINC000287583487 566026442 /nfs/dbraw/zinc/02/64/42/566026442.db2.gz DTIMGIYTFIISPR-CYBMUJFWSA-N 0 0 378.245 3.035 10 30 GGEERN CC(C)c1nc([C@H]2CCCN2S(=O)(=O)c2ccc(C#N)cc2Cl)no1 ZINC000180038651 566026864 /nfs/dbraw/zinc/02/68/64/566026864.db2.gz ZJWDOPPCPRSOJB-CYBMUJFWSA-N 0 0 380.857 3.244 10 30 GGEERN CC(C)(C)n1cc(C(=O)C(=O)Nc2cccc(C#N)c2Br)cn1 ZINC000416081177 566033599 /nfs/dbraw/zinc/03/35/99/566033599.db2.gz QCTHQYCXPJVNSK-UHFFFAOYSA-N 0 0 375.226 3.094 10 30 GGEERN COC[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccc(F)c(F)c1 ZINC000180185208 566041100 /nfs/dbraw/zinc/04/11/00/566041100.db2.gz PNUQHIXWXMBHNE-MRXNPFEDSA-N 0 0 386.807 3.156 10 30 GGEERN N#Cc1cccc(OC2CCN(C(=O)c3ncsc3Br)CC2)c1 ZINC000288005090 566052316 /nfs/dbraw/zinc/05/23/16/566052316.db2.gz PEQPLJQZWLYWHM-UHFFFAOYSA-N 0 0 392.278 3.461 10 30 GGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCCc1ccccn1 ZINC000288105993 566056559 /nfs/dbraw/zinc/05/65/59/566056559.db2.gz ISYVYCWZZDENQX-UHFFFAOYSA-N 0 0 377.897 3.060 10 30 GGEERN N#Cc1ccc(OC2CCN(C(=O)c3ncsc3Br)CC2)cc1 ZINC000288182546 566061036 /nfs/dbraw/zinc/06/10/36/566061036.db2.gz QGSIZMHNIOAINU-UHFFFAOYSA-N 0 0 392.278 3.461 10 30 GGEERN C#C[C@H](NC(=O)c1cc(S(=O)(=O)CC)ccc1Br)C(C)(C)C ZINC000288189598 566062052 /nfs/dbraw/zinc/06/20/52/566062052.db2.gz LPXOFYJHCASYFD-AWEZNQCLSA-N 0 0 386.311 3.020 10 30 GGEERN N#Cc1cccnc1N1CCN(Cc2ccc(F)cc2Br)CC1 ZINC000247663504 566064201 /nfs/dbraw/zinc/06/42/01/566064201.db2.gz UWFNEYKJCXDZAL-UHFFFAOYSA-N 0 0 375.245 3.177 10 30 GGEERN CC(C)(C)OC(=O)c1ccc(CS(=O)(=O)Cc2nc(C#N)cs2)cc1 ZINC000416411650 566065196 /nfs/dbraw/zinc/06/51/96/566065196.db2.gz AHKWUJXIMBQGLL-UHFFFAOYSA-N 0 0 378.475 3.085 10 30 GGEERN C#C[C@H](NC(=O)C(=O)Nc1ccc(Br)c2cccnc12)C(C)(C)C ZINC000288259531 566065324 /nfs/dbraw/zinc/06/53/24/566065324.db2.gz CFLCPBCVRMKTLZ-AWEZNQCLSA-N 0 0 388.265 3.100 10 30 GGEERN N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCCC(F)(F)C1 ZINC000416433944 566068617 /nfs/dbraw/zinc/06/86/17/566068617.db2.gz RPMLUCOJMOPGLX-NSHDSACASA-N 0 0 379.226 3.177 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1NC[C@H]1CCCS(=O)(=O)C1 ZINC000288468972 566074990 /nfs/dbraw/zinc/07/49/90/566074990.db2.gz KKLQZTSLTSCWDN-LLVKDONJSA-N 0 0 394.294 3.106 10 30 GGEERN C#C[C@@H](NC(=O)C(=O)Nc1cc2ccccc2nc1Br)C(C)(C)C ZINC000288559880 566078818 /nfs/dbraw/zinc/07/88/18/566078818.db2.gz ZQJISNHATXFBBM-CQSZACIVSA-N 0 0 388.265 3.100 10 30 GGEERN C#CCC(CC#C)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000288590369 566081378 /nfs/dbraw/zinc/08/13/78/566081378.db2.gz YVJFSIDNGWCGMJ-UHFFFAOYSA-N 0 0 387.321 3.193 10 30 GGEERN CC(C)(CC#N)CNS(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000416532968 566082175 /nfs/dbraw/zinc/08/21/75/566082175.db2.gz SLULPWCLTAHTQI-UHFFFAOYSA-N 0 0 382.283 3.215 10 30 GGEERN N#Cc1cc(Br)cc(S(=O)(=O)NC2CCC(C(F)F)CC2)c1 ZINC000416553690 566085620 /nfs/dbraw/zinc/08/56/20/566085620.db2.gz CSXINZXQYXFZNY-UHFFFAOYSA-N 0 0 393.253 3.423 10 30 GGEERN N#Cc1c(Br)cccc1S(=O)(=O)NC1CCC(C(F)F)CC1 ZINC000416560641 566087207 /nfs/dbraw/zinc/08/72/07/566087207.db2.gz LRZWJBLYSWAFQR-UHFFFAOYSA-N 0 0 393.253 3.423 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NC2CCC(C(F)F)CC2)cc1Br ZINC000416564089 566088604 /nfs/dbraw/zinc/08/86/04/566088604.db2.gz QIRCQALPKVRVSC-UHFFFAOYSA-N 0 0 393.253 3.423 10 30 GGEERN Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1cc(C#N)ccc1Br ZINC000365192226 566089436 /nfs/dbraw/zinc/08/94/36/566089436.db2.gz PKAXWDABBRNBBC-KRWDZBQOSA-N 0 0 389.297 3.245 10 30 GGEERN Cc1c(Br)ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1F ZINC000365326141 566095408 /nfs/dbraw/zinc/09/54/08/566095408.db2.gz MJQDKCTURRBRTL-GFCCVEGCSA-N 0 0 381.249 3.101 10 30 GGEERN C[C@H]1CC(C)(C)CN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000416624096 566097322 /nfs/dbraw/zinc/09/73/22/566097322.db2.gz YWGOGNCBWSUFNK-VIFPVBQESA-N 0 0 375.263 3.269 10 30 GGEERN CC(C)S(=O)(=O)CCNc1c(C#N)cnc2c(Br)cccc21 ZINC000289149272 566109182 /nfs/dbraw/zinc/10/91/82/566109182.db2.gz STLDKQNMAQKPKV-UHFFFAOYSA-N 0 0 382.283 3.104 10 30 GGEERN N#Cc1ccc(CN2CCNC(=O)C[C@H]2c2ccccc2)c(Br)c1 ZINC000181055530 566109905 /nfs/dbraw/zinc/10/99/05/566109905.db2.gz VOTGEVVXGIZEJK-SFHVURJKSA-N 0 0 384.277 3.384 10 30 GGEERN C=CCOc1ccc(C(=O)N[C@H](CO)c2cccc(Br)c2)cc1 ZINC000181112592 566115554 /nfs/dbraw/zinc/11/55/54/566115554.db2.gz XCYSKXLFWIQJCO-QGZVFWFLSA-N 0 0 376.250 3.477 10 30 GGEERN C=CCCCCNC(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000289331234 566117397 /nfs/dbraw/zinc/11/73/97/566117397.db2.gz YHMKYNGUDLQROC-UHFFFAOYSA-N 0 0 394.191 3.274 10 30 GGEERN N#Cc1ccc(CN2CCOC[C@H]2C[C@H](O)c2ccco2)c(Br)c1 ZINC000181149121 566119506 /nfs/dbraw/zinc/11/95/06/566119506.db2.gz LKJUZCXBGFGXPM-WBVHZDCISA-N 0 0 391.265 3.238 10 30 GGEERN N#Cc1csc(CNc2cc(N3CCOCC3)ccc2Br)n1 ZINC000417035991 566120187 /nfs/dbraw/zinc/12/01/87/566120187.db2.gz KUHCOLYYSURWNS-UHFFFAOYSA-N 0 0 379.283 3.226 10 30 GGEERN CC1(C#N)CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000289781539 566140345 /nfs/dbraw/zinc/14/03/45/566140345.db2.gz ICLZXNPSEPXECM-UHFFFAOYSA-N 0 0 378.237 3.216 10 30 GGEERN C=CCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000290345202 566167906 /nfs/dbraw/zinc/16/79/06/566167906.db2.gz JZTKZWKVELXROU-OLZOCXBDSA-N 0 0 382.917 3.042 10 30 GGEERN C=CCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000290345206 566167944 /nfs/dbraw/zinc/16/79/44/566167944.db2.gz JZTKZWKVELXROU-STQMWFEESA-N 0 0 382.917 3.042 10 30 GGEERN C=CCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000290345200 566169016 /nfs/dbraw/zinc/16/90/16/566169016.db2.gz JZTKZWKVELXROU-CHWSQXEVSA-N 0 0 382.917 3.042 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000366921381 566177054 /nfs/dbraw/zinc/17/70/54/566177054.db2.gz KSHDZHNNXVCSDR-JKSUJKDBSA-N 0 0 388.265 3.253 10 30 GGEERN CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC=C(Br)C1 ZINC000290968002 566198305 /nfs/dbraw/zinc/19/83/05/566198305.db2.gz IKQYSPRBEQOTOM-UHFFFAOYSA-N 0 0 388.269 3.238 10 30 GGEERN N#Cc1ccc(OC2CCN(C(=O)c3cncc(Br)c3)CC2)cc1 ZINC000264057730 566205259 /nfs/dbraw/zinc/20/52/59/566205259.db2.gz ZUOWNDLTGSVYGP-UHFFFAOYSA-N 0 0 386.249 3.399 10 30 GGEERN CC1(C)CN(C(=O)Nc2ccc(C#N)c(Br)c2)C[C@]2(CCOC2)O1 ZINC000367550418 566207228 /nfs/dbraw/zinc/20/72/28/566207228.db2.gz IIHMYYFUUINNMJ-KRWDZBQOSA-N 0 0 394.269 3.123 10 30 GGEERN N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H]3CCCOC3)s2)cc1 ZINC000264395108 566213767 /nfs/dbraw/zinc/21/37/67/566213767.db2.gz OAKBNMHHQOSENJ-CYBMUJFWSA-N 0 0 375.479 3.003 10 30 GGEERN N#Cc1ccc(CSc2nnc(NC(=O)N[C@H]3CCCOC3)s2)cc1 ZINC000264395111 566213914 /nfs/dbraw/zinc/21/39/14/566213914.db2.gz OAKBNMHHQOSENJ-ZDUSSCGKSA-N 0 0 375.479 3.003 10 30 GGEERN C[C@@H](C#N)CNC(=O)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000182788444 566224413 /nfs/dbraw/zinc/22/44/13/566224413.db2.gz UKNKUPHLKBOQQT-SMDDNHRTSA-N 0 0 383.233 3.297 10 30 GGEERN CC(C)(C)C(=O)NCCCC(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000264861617 566225566 /nfs/dbraw/zinc/22/55/66/566225566.db2.gz FUBBSOCRWDGURT-AWEZNQCLSA-N 0 0 380.286 3.072 10 30 GGEERN CCCc1noc(CCCC(=O)N[C@@H](C#N)c2ccc(Br)cc2)n1 ZINC000264856160 566225982 /nfs/dbraw/zinc/22/59/82/566225982.db2.gz DEOJRNFCAJOXBP-AWEZNQCLSA-N 0 0 391.269 3.488 10 30 GGEERN C[C@H](CC(=O)N[C@H](C#N)c1ccc(Br)cc1)NC(=O)C1CCCC1 ZINC000264866741 566226225 /nfs/dbraw/zinc/22/62/25/566226225.db2.gz GZDIDOKILSPEEI-MLGOLLRUSA-N 0 0 392.297 3.215 10 30 GGEERN N#C[C@H](NC(=O)c1cc2c([nH]c1=O)CCCC2)c1ccc(Br)cc1 ZINC000264879299 566226791 /nfs/dbraw/zinc/22/67/91/566226791.db2.gz JVDXGYSMNGWGNA-INIZCTEOSA-N 0 0 386.249 3.423 10 30 GGEERN N#Cc1ccccc1S(=O)(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000182873391 566227699 /nfs/dbraw/zinc/22/76/99/566227699.db2.gz FODKAXFTVIVTAW-CQSZACIVSA-N 0 0 376.306 3.418 10 30 GGEERN C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000264916904 566227838 /nfs/dbraw/zinc/22/78/38/566227838.db2.gz STSRERVTCXYZPS-ZWNOBZJWSA-N 0 0 382.258 3.043 10 30 GGEERN CCCC(=O)N1CCC[C@@H](C(=O)N[C@@H](C#N)c2ccc(Br)cc2)C1 ZINC000264921461 566227844 /nfs/dbraw/zinc/22/78/44/566227844.db2.gz UXJATGHVTYAFTK-ZBFHGGJFSA-N 0 0 392.297 3.169 10 30 GGEERN Cc1sc(=O)n(CCC(=O)N[C@H](C#N)c2ccc(Br)cc2)c1C ZINC000265177519 566232284 /nfs/dbraw/zinc/23/22/84/566232284.db2.gz FAYLCYIRZKSQKQ-CQSZACIVSA-N 0 0 394.294 3.060 10 30 GGEERN C=CCOCCSCC(=O)Nc1ccc(I)cc1 ZINC000419509801 566236936 /nfs/dbraw/zinc/23/69/36/566236936.db2.gz UTWPYKAXVAHETB-UHFFFAOYSA-N 0 0 377.247 3.166 10 30 GGEERN CC(=O)Nc1ccc(S(=O)(=O)CCCSCc2nc(C#N)cs2)cc1 ZINC000419646918 566240723 /nfs/dbraw/zinc/24/07/23/566240723.db2.gz NXFHZJQUZMKEMI-UHFFFAOYSA-N 0 0 395.531 3.070 10 30 GGEERN Cc1cc(C)cc(OCCN(C)C(=O)CSCc2nc(C#N)cs2)c1 ZINC000419654689 566240729 /nfs/dbraw/zinc/24/07/29/566240729.db2.gz VCTBGRMZSZBZMC-UHFFFAOYSA-N 0 0 375.519 3.402 10 30 GGEERN C[C@@H](SCc1nc(C#N)cs1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000419646747 566240762 /nfs/dbraw/zinc/24/07/62/566240762.db2.gz NSXXTCRRSFCMKV-LLVKDONJSA-N 0 0 375.475 3.436 10 30 GGEERN CC[C@H]1CN(C(=O)Nc2ccc(C#N)c(Br)c2)C[C@@]2(CCOC2)O1 ZINC000368577453 566241914 /nfs/dbraw/zinc/24/19/14/566241914.db2.gz WJZDVJZJMZNDEZ-WMLDXEAASA-N 0 0 394.269 3.123 10 30 GGEERN C=CC[C@H](CO)NC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000183268129 566242369 /nfs/dbraw/zinc/24/23/69/566242369.db2.gz KQHHPYVSSYGDFH-CYBMUJFWSA-N 0 0 393.241 3.090 10 30 GGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000183392109 566245809 /nfs/dbraw/zinc/24/58/09/566245809.db2.gz FORKWZVETKRLRC-MRVPVSSYSA-N 0 0 383.164 3.406 10 30 GGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC000183392089 566245978 /nfs/dbraw/zinc/24/59/78/566245978.db2.gz FORKWZVETKRLRC-QMMMGPOBSA-N 0 0 383.164 3.406 10 30 GGEERN COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2Cl)cc1OC ZINC000183511024 566248307 /nfs/dbraw/zinc/24/83/07/566248307.db2.gz RXCLIIXSIBMXBK-LLVKDONJSA-N 0 0 380.853 3.268 10 30 GGEERN N#CCCN(CC1CC1)C(=O)c1ncc(Br)cc1Br ZINC000183536966 566248454 /nfs/dbraw/zinc/24/84/54/566248454.db2.gz DGDQDWHVQZLNHY-UHFFFAOYSA-N 0 0 387.075 3.372 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NC2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000183531884 566248529 /nfs/dbraw/zinc/24/85/29/566248529.db2.gz CQVMQUMLLRVAGN-UHFFFAOYSA-N 0 0 375.881 3.159 10 30 GGEERN CC[N@@H+](Cc1cccc(Br)c1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599274434 566251778 /nfs/dbraw/zinc/25/17/78/566251778.db2.gz SSIXMLBMZRYOES-QGZVFWFLSA-N 0 0 381.314 3.342 10 30 GGEERN CC[N@@H+](Cc1cccc(Br)c1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599274433 566251860 /nfs/dbraw/zinc/25/18/60/566251860.db2.gz SSIXMLBMZRYOES-KRWDZBQOSA-N 0 0 381.314 3.342 10 30 GGEERN C[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599272997 566251877 /nfs/dbraw/zinc/25/18/77/566251877.db2.gz UVSXBPNGSOKWPF-HNNXBMFYSA-N 0 0 385.277 3.091 10 30 GGEERN COc1ccc(Br)c([C@H]2C(=O)N(CC3(CC#N)CC3)C(=O)N2C)c1 ZINC000419932747 566252359 /nfs/dbraw/zinc/25/23/59/566252359.db2.gz AIXHXOSQZGNIOJ-AWEZNQCLSA-N 0 0 392.253 3.087 10 30 GGEERN C=CCC[C@H]1NC(=O)N(Cc2nc3cc(Br)ccc3n2CC)C1=O ZINC000419945246 566253453 /nfs/dbraw/zinc/25/34/53/566253453.db2.gz JLYGTKYIPZNSEM-GFCCVEGCSA-N 0 0 391.269 3.205 10 30 GGEERN C=CCCSCCNS(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000599339717 566254767 /nfs/dbraw/zinc/25/47/67/566254767.db2.gz RKVXCTCUHFGELJ-UHFFFAOYSA-N 0 0 385.429 3.181 10 30 GGEERN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC1CCOCC1 ZINC000509009560 566255971 /nfs/dbraw/zinc/25/59/71/566255971.db2.gz AGRVTSHZHKAZFN-UHFFFAOYSA-N 0 0 380.290 3.085 10 30 GGEERN Cc1cc(Br)cc2c1CN(C[C@H](O)CC1(C#N)CCOCC1)CC2 ZINC000599355212 566256736 /nfs/dbraw/zinc/25/67/36/566256736.db2.gz WBHUJWCRDOXAOC-QGZVFWFLSA-N 0 0 393.325 3.187 10 30 GGEERN C=C(C)CCN1C(=O)N[C@@H](Cc2c[nH]c3cccc(Br)c23)C1=O ZINC000419985244 566257350 /nfs/dbraw/zinc/25/73/50/566257350.db2.gz 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C=CC(C)(C)CNC(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC000424871489 566582546 /nfs/dbraw/zinc/58/25/46/566582546.db2.gz MEGYIICKLUYCIR-UHFFFAOYSA-N 0 0 388.327 3.331 10 30 GGEERN C=CCC1(C(=O)NCc2cc(Cl)cc(S(=O)(=O)CC)c2)CCOCC1 ZINC000424879353 566582612 /nfs/dbraw/zinc/58/26/12/566582612.db2.gz KXXFDLGRDLWRCF-UHFFFAOYSA-N 0 0 385.913 3.123 10 30 GGEERN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(C(=O)OC)on1 ZINC000539447432 566583955 /nfs/dbraw/zinc/58/39/55/566583955.db2.gz ZNBCRBXKPOYKLX-UHFFFAOYSA-N 0 0 397.200 3.191 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C1(c2ccc(I)cc2)CC1 ZINC000424904849 566586021 /nfs/dbraw/zinc/58/60/21/566586021.db2.gz AQAKEFQTSHDYIO-WFASDCNBSA-N 0 0 397.256 3.030 10 30 GGEERN N#Cc1cccc(CCNC(=O)c2c(F)cccc2I)c1 ZINC000466620631 566588756 /nfs/dbraw/zinc/58/87/56/566588756.db2.gz UHVVTSRAFZBYEA-UHFFFAOYSA-N 0 0 394.187 3.274 10 30 GGEERN N#Cc1ccnc(N2CCN(C(=O)Nc3cc(Cl)c(Cl)cn3)CC2)c1 ZINC000466689337 566592212 /nfs/dbraw/zinc/59/22/12/566592212.db2.gz LEAAFFNOLFQQPU-UHFFFAOYSA-N 0 0 377.235 3.009 10 30 GGEERN C=C(C)CN(CC)C(=O)CNc1cc(Br)ccc1OCCOC ZINC000539752617 566600308 /nfs/dbraw/zinc/60/03/08/566600308.db2.gz GHKHULIITFZWSR-UHFFFAOYSA-N 0 0 385.302 3.311 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000579338275 566601116 /nfs/dbraw/zinc/60/11/16/566601116.db2.gz QLIDRCZGJOOXQX-UHFFFAOYSA-N 0 0 376.865 3.114 10 30 GGEERN CC(C)COC1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 ZINC000449791892 566602865 /nfs/dbraw/zinc/60/28/65/566602865.db2.gz UHKNOXVSCNCTCP-UHFFFAOYSA-N 0 0 395.297 3.363 10 30 GGEERN C=CCOc1c(Br)cc(CN2CCN(C(C)=O)C[C@@H]2C)cc1OC ZINC000539829730 566604489 /nfs/dbraw/zinc/60/44/89/566604489.db2.gz ZLYJBAHXNUOPJZ-ZDUSSCGKSA-N 0 0 397.313 3.075 10 30 GGEERN C=CCOc1c(Br)cc(CN2CCN(C(C)=O)C[C@H]2C)cc1OC ZINC000539829729 566604790 /nfs/dbraw/zinc/60/47/90/566604790.db2.gz ZLYJBAHXNUOPJZ-CYBMUJFWSA-N 0 0 397.313 3.075 10 30 GGEERN COC(=O)C[C@@H](NC(=O)c1ccc(C#N)s1)c1cccc(Br)c1 ZINC000486671593 566611040 /nfs/dbraw/zinc/61/10/40/566611040.db2.gz AFGFRCMTDNALHR-CYBMUJFWSA-N 0 0 393.262 3.416 10 30 GGEERN C=C(C)CN(CC)S(=O)(=O)c1cc(Br)ccc1OCCOC ZINC000486671446 566611153 /nfs/dbraw/zinc/61/11/53/566611153.db2.gz OIQCMYFKASUDDC-UHFFFAOYSA-N 0 0 392.315 3.061 10 30 GGEERN N#Cc1cc(Br)cc(S(=O)(=O)N[C@H]2CCCC(F)(F)C2)c1 ZINC000486689305 566613884 /nfs/dbraw/zinc/61/38/84/566613884.db2.gz OQZFOZWSOGUYFD-NSHDSACASA-N 0 0 379.226 3.177 10 30 GGEERN N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CCCC(F)(F)C2)c1 ZINC000486689206 566614018 /nfs/dbraw/zinc/61/40/18/566614018.db2.gz OQZFOZWSOGUYFD-LLVKDONJSA-N 0 0 379.226 3.177 10 30 GGEERN N#Cc1ccc(NC2CC2)c(NC(=O)c2cnn3cc(Br)cnc23)c1 ZINC000539919691 566614296 /nfs/dbraw/zinc/61/42/96/566614296.db2.gz BLAVPOCNQNOBCE-UHFFFAOYSA-N 0 0 397.236 3.190 10 30 GGEERN C[C@@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ncc(Br)cn1 ZINC000486712977 566617116 /nfs/dbraw/zinc/61/71/16/566617116.db2.gz VKKIVEUEOYYNSJ-SNVBAGLBSA-N 0 0 389.228 3.159 10 30 GGEERN CO[C@H](c1ccc(F)cc1)[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000539948752 566617391 /nfs/dbraw/zinc/61/73/91/566617391.db2.gz HQMQWROULCXOTH-DIFFPNOSSA-N 0 0 382.844 3.405 10 30 GGEERN CC(C)CC[C@](C)(O)CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449958348 566618860 /nfs/dbraw/zinc/61/88/60/566618860.db2.gz HGOWENROIMFKTO-KRWDZBQOSA-N 0 0 383.286 3.003 10 30 GGEERN C=CCC1(c2nc(Cc3cc(Br)cnc3OC)no2)CCOCC1 ZINC000579581487 566620098 /nfs/dbraw/zinc/62/00/98/566620098.db2.gz UPGRMHJCYMBLBR-UHFFFAOYSA-N 0 0 394.269 3.451 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC000579584905 566621266 /nfs/dbraw/zinc/62/12/66/566621266.db2.gz JNYQYGSJQODDKI-ZLDLUXBVSA-N 0 0 383.286 3.409 10 30 GGEERN C=CCCCN(C)C(=O)NCCC(=O)N(C)Cc1ccccc1Br ZINC000605973474 566622337 /nfs/dbraw/zinc/62/23/37/566622337.db2.gz JFHWAAMLKXYNEZ-UHFFFAOYSA-N 0 0 396.329 3.405 10 30 GGEERN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc(Br)cc1C#N ZINC000450003218 566623545 /nfs/dbraw/zinc/62/35/45/566623545.db2.gz LPAAUYMYSWZHDG-SNVBAGLBSA-N 0 0 375.270 3.032 10 30 GGEERN CN(Cc1c(F)cccc1Br)S(=O)(=O)c1cccc(C#N)c1 ZINC000540038358 566623510 /nfs/dbraw/zinc/62/35/10/566623510.db2.gz UVVUZVWGALYINI-UHFFFAOYSA-N 0 0 383.242 3.281 10 30 GGEERN CS(=O)(=O)CCCCNc1c(C#N)cnc2c(Br)cccc21 ZINC000425260884 566624154 /nfs/dbraw/zinc/62/41/54/566624154.db2.gz BGJUOAHQSSNSFG-UHFFFAOYSA-N 0 0 382.283 3.106 10 30 GGEERN N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000450023385 566625169 /nfs/dbraw/zinc/62/51/69/566625169.db2.gz AHPZBSFIAZGCNA-SFHVURJKSA-N 0 0 393.281 3.119 10 30 GGEERN N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000540069617 566626555 /nfs/dbraw/zinc/62/65/55/566626555.db2.gz XNASSLIEASTTQI-KSSFIOAISA-N 0 0 376.865 3.268 10 30 GGEERN C[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)c1nc(C(F)(F)F)cs1 ZINC000486826345 566627096 /nfs/dbraw/zinc/62/70/96/566627096.db2.gz PAYAWEFUJCENHL-MRVPVSSYSA-N 0 0 393.387 3.353 10 30 GGEERN N#Cc1ccc(C(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)s1 ZINC000486856172 566629749 /nfs/dbraw/zinc/62/97/49/566629749.db2.gz OXGUHXVKIMBMLU-UHFFFAOYSA-N 0 0 375.881 3.110 10 30 GGEERN C=CCOc1c(Br)cc(CN2CC[C@@H](c3nnc[nH]3)C2)cc1OC ZINC000425361272 566634973 /nfs/dbraw/zinc/63/49/73/566634973.db2.gz XFZQLOODJMLHJO-CYBMUJFWSA-N 0 0 393.285 3.130 10 30 GGEERN CCCCSc1ccc(Cl)cc1C(=O)N1CCN(C(=O)CC#N)CC1 ZINC000450124433 566636659 /nfs/dbraw/zinc/63/66/59/566636659.db2.gz BIWYQNVSRWPDDV-UHFFFAOYSA-N 0 0 379.913 3.430 10 30 GGEERN CN(C)S(=O)(=O)c1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000425403931 566640001 /nfs/dbraw/zinc/64/00/01/566640001.db2.gz UXLLDDIPUXIDOP-UHFFFAOYSA-N 0 0 375.519 3.035 10 30 GGEERN N#Cc1c(Br)cccc1OCC(=O)NCCC[C@@H]1CCCC[C@H]1O ZINC000450172531 566640998 /nfs/dbraw/zinc/64/09/98/566640998.db2.gz LQAXGDOKOYJTQW-XJKSGUPXSA-N 0 0 395.297 3.147 10 30 GGEERN N#Cc1ccc(OCC(=O)NCCC[C@@H]2CCCC[C@@H]2O)cc1Br ZINC000450170533 566641626 /nfs/dbraw/zinc/64/16/26/566641626.db2.gz DSYYXZDMBJOFKZ-GUYCJALGSA-N 0 0 395.297 3.147 10 30 GGEERN N#Cc1c(Br)cccc1OCC(=O)NCCC[C@H]1CCCC[C@H]1O ZINC000450172530 566641658 /nfs/dbraw/zinc/64/16/58/566641658.db2.gz LQAXGDOKOYJTQW-CZUORRHYSA-N 0 0 395.297 3.147 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CC3CC2(C(F)(F)F)C3)cc1Br ZINC000579811102 566641879 /nfs/dbraw/zinc/64/18/79/566641879.db2.gz AYUZZGWRAPQQON-UHFFFAOYSA-N 0 0 395.200 3.036 10 30 GGEERN C=CCCCCCN(C)C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000606814289 566645207 /nfs/dbraw/zinc/64/52/07/566645207.db2.gz JAPYRTBUACYLJM-MRXNPFEDSA-N 0 0 384.567 3.496 10 30 GGEERN CCN(CCc1nccs1)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000450221820 566645478 /nfs/dbraw/zinc/64/54/78/566645478.db2.gz WLDRZGQGAPQRBH-UHFFFAOYSA-N 0 0 394.294 3.247 10 30 GGEERN C[C@@](CO)(NC(=O)Nc1ccc(C#N)c(Br)c1)c1cccc(O)c1 ZINC000579878970 566645676 /nfs/dbraw/zinc/64/56/76/566645676.db2.gz OQJDRRJHKYFUOJ-KRWDZBQOSA-N 0 0 390.237 3.056 10 30 GGEERN CC#CCCNC(=O)c1cc(Br)cc(I)c1 ZINC000560632131 566645880 /nfs/dbraw/zinc/64/58/80/566645880.db2.gz RUDQKZUJGFLUJV-UHFFFAOYSA-N 0 0 392.034 3.197 10 30 GGEERN C[C@](CO)(NC(=O)Nc1ccc(C#N)c(Br)c1)c1cccc(O)c1 ZINC000579878972 566646429 /nfs/dbraw/zinc/64/64/29/566646429.db2.gz OQJDRRJHKYFUOJ-QGZVFWFLSA-N 0 0 390.237 3.056 10 30 GGEERN Cc1cnc(CCN(C)C(=O)COc2ccc(C#N)c(Br)c2)s1 ZINC000450231155 566647867 /nfs/dbraw/zinc/64/78/67/566647867.db2.gz SACPEFUCTQNYDU-UHFFFAOYSA-N 0 0 394.294 3.166 10 30 GGEERN C[C@@H](C#N)CN(C(=O)c1cc(F)c(F)cc1I)C1CC1 ZINC000514236167 566648640 /nfs/dbraw/zinc/64/86/40/566648640.db2.gz OTBFSOLNKPJSBM-QMMMGPOBSA-N 0 0 390.171 3.334 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000425494835 566648372 /nfs/dbraw/zinc/64/83/72/566648372.db2.gz TVDOZRMBWVMEAL-QCPWZWHMSA-N 0 0 397.313 3.415 10 30 GGEERN C[C@H](C#N)CN(C(=O)CCC[S@](=O)c1ccc(Br)cc1)C1CC1 ZINC000514248235 566650318 /nfs/dbraw/zinc/65/03/18/566650318.db2.gz NMMXFSMBSIPIRE-ZLOXQWCVSA-N 0 0 397.338 3.488 10 30 GGEERN C[C@H](C#N)CN(C(=O)CCC[S@@](=O)c1ccc(Br)cc1)C1CC1 ZINC000514248232 566650728 /nfs/dbraw/zinc/65/07/28/566650728.db2.gz NMMXFSMBSIPIRE-JCQPUDPBSA-N 0 0 397.338 3.488 10 30 GGEERN C=CCCCNC(=O)N1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1 ZINC000425518479 566652846 /nfs/dbraw/zinc/65/28/46/566652846.db2.gz SCTBVXWBFYTAPL-JKSUJKDBSA-N 0 0 395.297 3.313 10 30 GGEERN COc1cc2c(cc1OC)CCN(c1ncc(Br)cc1C#N)CC2 ZINC000450280138 566653143 /nfs/dbraw/zinc/65/31/43/566653143.db2.gz ZFZKGVJXIWYFAF-UHFFFAOYSA-N 0 0 388.265 3.338 10 30 GGEERN CC(C)[C@H](C)NC(=O)C1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000450291028 566654047 /nfs/dbraw/zinc/65/40/47/566654047.db2.gz FJZJIKLJDBRBPO-LBPRGKRZSA-N 0 0 379.302 3.093 10 30 GGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000653151230 566654137 /nfs/dbraw/zinc/65/41/37/566654137.db2.gz MQOLFWXKLVOYIA-ZNMIVQPWSA-N 0 0 381.270 3.306 10 30 GGEERN N#Cc1cc(Br)cnc1N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000450286356 566654557 /nfs/dbraw/zinc/65/45/57/566654557.db2.gz OYUDPFABBLXENS-UHFFFAOYSA-N 0 0 391.313 3.381 10 30 GGEERN CCOc1c(Cl)cc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1Cl ZINC000467589825 566654914 /nfs/dbraw/zinc/65/49/14/566654914.db2.gz UGNSOSLLEABYGZ-UHFFFAOYSA-N 0 0 384.263 3.483 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1cc(Br)ccc1OC ZINC000514598021 566655001 /nfs/dbraw/zinc/65/50/01/566655001.db2.gz ASNNFXIYQADFMC-WFASDCNBSA-N 0 0 383.286 3.190 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1Cc2cc(Br)ccc2C[C@@H]1C ZINC000425567801 566655822 /nfs/dbraw/zinc/65/58/22/566655822.db2.gz UKPLIEHRLDIXCH-JDFRZJQESA-N 0 0 379.298 3.496 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000425566873 566656130 /nfs/dbraw/zinc/65/61/30/566656130.db2.gz RHZQPCUZIUPMFX-LRDDRELGSA-N 0 0 383.261 3.247 10 30 GGEERN C=CCCn1cc(C(=O)N2CCc3cc(Cl)cc(Br)c32)nn1 ZINC000425574405 566657067 /nfs/dbraw/zinc/65/70/67/566657067.db2.gz BSQVLMCCFKPALG-UHFFFAOYSA-N 0 0 381.661 3.473 10 30 GGEERN N#Cc1cnc(N[C@H]2CCN(c3ccc(Br)cc3)C2)c([N+](=O)[O-])c1 ZINC000450317983 566657587 /nfs/dbraw/zinc/65/75/87/566657587.db2.gz UWJXWPPGRGIQAF-ZDUSSCGKSA-N 0 0 388.225 3.315 10 30 GGEERN CCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000425624481 566660037 /nfs/dbraw/zinc/66/00/37/566660037.db2.gz DKENCCRCMWCLJW-AWEZNQCLSA-N 0 0 396.310 3.269 10 30 GGEERN Cc1c(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)ccc(Br)c1C#N ZINC000425625716 566660094 /nfs/dbraw/zinc/66/00/94/566660094.db2.gz GOPSNLKTNWBMBP-CYBMUJFWSA-N 0 0 390.281 3.216 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000487265742 566660345 /nfs/dbraw/zinc/66/03/45/566660345.db2.gz NZEBVGCKPHDLRY-QGZVFWFLSA-N 0 0 398.260 3.165 10 30 GGEERN Cc1c(NC(=O)[C@H]2CCCN2C(=O)C(C)C)ccc(Br)c1C#N ZINC000425628792 566660853 /nfs/dbraw/zinc/66/08/53/566660853.db2.gz LGSIDUZYHKEQIJ-OAHLLOKOSA-N 0 0 378.270 3.215 10 30 GGEERN CC(=O)N[C@@H](C(=O)Nc1ccc(Br)c(C#N)c1C)C1CCCC1 ZINC000425626945 566660925 /nfs/dbraw/zinc/66/09/25/566660925.db2.gz IDBBAWLODFXFAT-MRXNPFEDSA-N 0 0 378.270 3.263 10 30 GGEERN CCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)c(C#N)c2C)C1 ZINC000425633334 566660954 /nfs/dbraw/zinc/66/09/54/566660954.db2.gz SIRZBCVGIVLGMJ-GFCCVEGCSA-N 0 0 378.270 3.216 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000487265739 566660979 /nfs/dbraw/zinc/66/09/79/566660979.db2.gz NZEBVGCKPHDLRY-KRWDZBQOSA-N 0 0 398.260 3.165 10 30 GGEERN CCC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)c(C#N)c2C)C1 ZINC000425633337 566661223 /nfs/dbraw/zinc/66/12/23/566661223.db2.gz SIRZBCVGIVLGMJ-LBPRGKRZSA-N 0 0 378.270 3.216 10 30 GGEERN Cc1c(NC(=O)CCS(=O)(=O)C2CCCC2)ccc(Br)c1C#N ZINC000425631887 566661384 /nfs/dbraw/zinc/66/13/84/566661384.db2.gz PYAAMMGYWQAOID-UHFFFAOYSA-N 0 0 399.310 3.315 10 30 GGEERN CCc1cc(Br)cc2c1N(C(=O)[C@@H](C)n1cnc(C#N)n1)CCC2 ZINC000425631892 566661593 /nfs/dbraw/zinc/66/15/93/566661593.db2.gz PZOFBCUNZMLILZ-LLVKDONJSA-N 0 0 388.269 3.015 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(F)cc1I ZINC000425653777 566662409 /nfs/dbraw/zinc/66/24/09/566662409.db2.gz CRBHIRBJLWCWNI-ZANVPECISA-N 0 0 390.196 3.143 10 30 GGEERN N#Cc1cc(Br)cnc1N[C@@H]1CCN(CCCc2ccccc2)C1=O ZINC000450372358 566663960 /nfs/dbraw/zinc/66/39/60/566663960.db2.gz OKEYHRHMQPEZLO-QGZVFWFLSA-N 0 0 399.292 3.361 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(Br)cc(C(=O)OC)c1C ZINC000425679807 566667294 /nfs/dbraw/zinc/66/72/94/566667294.db2.gz MCQKRJARNYEYMD-NHYWBVRUSA-N 0 0 397.269 3.257 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)CCC1 ZINC000580143103 566667927 /nfs/dbraw/zinc/66/79/27/566667927.db2.gz OAGIQZLNESZBLB-LBPRGKRZSA-N 0 0 388.320 3.185 10 30 GGEERN C=C[C@H]1CCCCN1S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000487382748 566668134 /nfs/dbraw/zinc/66/81/34/566668134.db2.gz WLYHXMNKFOZGHA-HNNXBMFYSA-N 0 0 384.567 3.182 10 30 GGEERN COC(=O)c1ccc(CNc2ncc(Br)cc2C#N)nc1C1CC1 ZINC000450428126 566670583 /nfs/dbraw/zinc/67/05/83/566670583.db2.gz GZFYOEKYNJWRTL-UHFFFAOYSA-N 0 0 387.237 3.387 10 30 GGEERN COc1cc(CNC(=O)NCc2cc(Br)ccc2F)ccc1C#N ZINC000580179889 566671084 /nfs/dbraw/zinc/67/10/84/566671084.db2.gz OPADDIOAYRERFG-UHFFFAOYSA-N 0 0 392.228 3.468 10 30 GGEERN Cc1c(NC(=O)C(=O)N(CC2CC2)CC2CC2)ccc(Br)c1C#N ZINC000425747292 566674480 /nfs/dbraw/zinc/67/44/80/566674480.db2.gz SSAWQQBLGUITTN-UHFFFAOYSA-N 0 0 390.281 3.216 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000425764243 566676129 /nfs/dbraw/zinc/67/61/29/566676129.db2.gz FNJDWWOAOQXISA-NHYWBVRUSA-N 0 0 386.279 3.212 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000425785476 566677374 /nfs/dbraw/zinc/67/73/74/566677374.db2.gz OUTOEPBKSDUNIF-ZANVPECISA-N 0 0 376.762 3.005 10 30 GGEERN C[C@H]1[C@@H](Nc2ncc(Br)cc2C#N)CC(=O)N1Cc1ccccc1 ZINC000450499568 566678762 /nfs/dbraw/zinc/67/87/62/566678762.db2.gz KRNSZFLTNOMYJU-LRDDRELGSA-N 0 0 385.265 3.317 10 30 GGEERN Cc1c(NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)ccc(Br)c1C#N ZINC000514933340 566679073 /nfs/dbraw/zinc/67/90/73/566679073.db2.gz LOILQAQLJNYZEE-GFCCVEGCSA-N 0 0 378.270 3.072 10 30 GGEERN CC[C@@H]1CN(C(=O)c2ccc(Br)cc2C#N)CCN1CC(F)F ZINC000450508364 566679176 /nfs/dbraw/zinc/67/91/76/566679176.db2.gz BDBKJJALMKDJTI-CYBMUJFWSA-N 0 0 386.240 3.122 10 30 GGEERN CC[C@H]1CN(C(=O)c2ccc(Br)cc2C#N)CCN1CC(F)F ZINC000450508365 566679912 /nfs/dbraw/zinc/67/99/12/566679912.db2.gz BDBKJJALMKDJTI-ZDUSSCGKSA-N 0 0 386.240 3.122 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000425855270 566680574 /nfs/dbraw/zinc/68/05/74/566680574.db2.gz LXVADQVZFJWLKJ-YOEHRIQHSA-N 0 0 387.307 3.479 10 30 GGEERN N#CC1(CS(=O)(=O)N2CCC[C@H]2c2ccc(Br)cn2)CCC1 ZINC000580299434 566681120 /nfs/dbraw/zinc/68/11/20/566681120.db2.gz ICOAPOLVITYPLI-AWEZNQCLSA-N 0 0 384.299 3.005 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CC3(CCC3)[C@H]2C2CCOCC2)ccc1Cl ZINC000515055535 566687575 /nfs/dbraw/zinc/68/75/75/566687575.db2.gz QQJZEADTHJCSRA-QGZVFWFLSA-N 0 0 380.897 3.181 10 30 GGEERN N#Cc1cnc(N2CC[C@H](Cc3cccc(I)c3)C2)cn1 ZINC000450605161 566689563 /nfs/dbraw/zinc/68/95/63/566689563.db2.gz NRSVHBZNGZQYNU-CYBMUJFWSA-N 0 0 390.228 3.022 10 30 GGEERN N#Cc1nccnc1N1CC[C@H](Cc2cccc(I)c2)C1 ZINC000450602952 566689951 /nfs/dbraw/zinc/68/99/51/566689951.db2.gz 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CCOC(=O)Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000609985535 566797631 /nfs/dbraw/zinc/79/76/31/566797631.db2.gz NFFFNROQOVZZSP-UHFFFAOYSA-N 0 0 378.837 3.118 10 30 GGEERN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)COc1cccc(Br)c1C#N ZINC000451331498 566798036 /nfs/dbraw/zinc/79/80/36/566798036.db2.gz NXRNCDUMRAJPGK-MWLCHTKSSA-N 0 0 391.187 3.499 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)cc1F ZINC000489587168 566798334 /nfs/dbraw/zinc/79/83/34/566798334.db2.gz PPJGPSCFMGGFRW-CYBMUJFWSA-N 0 0 387.219 3.416 10 30 GGEERN N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CCCC(F)(F)C2)cc1Br ZINC000451334830 566799175 /nfs/dbraw/zinc/79/91/75/566799175.db2.gz UAYODNFCTSXTAF-VIFPVBQESA-N 0 0 397.216 3.316 10 30 GGEERN C[C@H](C#N)CN(C1CC1)S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000451343055 566800420 /nfs/dbraw/zinc/80/04/20/566800420.db2.gz HUAKBDLLRLSPFZ-SNVBAGLBSA-N 0 0 375.263 3.042 10 30 GGEERN CCCCSCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000610048413 566800468 /nfs/dbraw/zinc/80/04/68/566800468.db2.gz ZMIPZJGYNYAJQO-MRXNPFEDSA-N 0 0 377.535 3.322 10 30 GGEERN C=CCCn1cc(CSc2n[nH]c(COc3ccc(Cl)cc3)n2)nn1 ZINC000655464243 566801750 /nfs/dbraw/zinc/80/17/50/566801750.db2.gz HQBKWOCHOXWLGY-UHFFFAOYSA-N 0 0 376.873 3.497 10 30 GGEERN N#C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc(F)cc1 ZINC000610063518 566802066 /nfs/dbraw/zinc/80/20/66/566802066.db2.gz OFIMZKVSEMDMEW-AWEZNQCLSA-N 0 0 378.157 3.491 10 30 GGEERN Cc1ncc(S(=O)(=O)NC(C)(C)c2ccccc2Br)cc1C#N ZINC000489682945 566802572 /nfs/dbraw/zinc/80/25/72/566802572.db2.gz QHLWAUKHFIGTCT-UHFFFAOYSA-N 0 0 394.294 3.238 10 30 GGEERN C=CCC(C)(C)CNC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000489702257 566803641 /nfs/dbraw/zinc/80/36/41/566803641.db2.gz ISFVSNBHUHALFW-UHFFFAOYSA-N 0 0 395.297 3.283 10 30 GGEERN N#Cc1csc(CN2CCO[C@H](c3ccc(F)c(Br)c3)C2)n1 ZINC000562576564 566804235 /nfs/dbraw/zinc/80/42/35/566804235.db2.gz NKHUPKGCFVUQHW-AWEZNQCLSA-N 0 0 382.258 3.490 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)Nc2ccnn2-c2ccc(Br)cn2)C1 ZINC000562610292 566805753 /nfs/dbraw/zinc/80/57/53/566805753.db2.gz FXQKRGVKJDVRNL-AAEUAGOBSA-N 0 0 389.257 3.234 10 30 GGEERN CC(C)CCn1cc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)nn1 ZINC000610124349 566807894 /nfs/dbraw/zinc/80/78/94/566807894.db2.gz FYCYPBLBOAHHBF-AWEZNQCLSA-N 0 0 376.258 3.081 10 30 GGEERN CC1(C#N)CCN(S(=O)(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000451383217 566808299 /nfs/dbraw/zinc/80/82/99/566808299.db2.gz JWYWKLYCOWQRNZ-UHFFFAOYSA-N 0 0 375.263 3.044 10 30 GGEERN Cc1nn(C)c(C)c1[C@@H](NCCOCC(F)(F)C(F)(F)F)C(F)(F)F ZINC000469720750 566809520 /nfs/dbraw/zinc/80/95/20/566809520.db2.gz ONWFJONCFNNFST-SNVBAGLBSA-N 0 0 383.283 3.444 10 30 GGEERN N#CC1(CS(=O)(=O)NCC2(c3cccc(Cl)c3)CCOCC2)CCC1 ZINC000517203202 566811107 /nfs/dbraw/zinc/81/11/07/566811107.db2.gz CIXSUUKEGMMOLV-UHFFFAOYSA-N 0 0 382.913 3.001 10 30 GGEERN Cc1cc(Br)ccc1CN(C)S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000489798360 566811331 /nfs/dbraw/zinc/81/13/31/566811331.db2.gz QJTHELAIRBUCNN-UHFFFAOYSA-N 0 0 394.294 3.153 10 30 GGEERN C[C@]1(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)OCCc2sccc21 ZINC000517204557 566811381 /nfs/dbraw/zinc/81/13/81/566811381.db2.gz BCPCQVPCRCTNOK-MRXNPFEDSA-N 0 0 382.894 3.040 10 30 GGEERN C=C[C@@H]1CCCCN1C(=O)c1n[nH]c2ccc(I)cc21 ZINC000428033464 566812476 /nfs/dbraw/zinc/81/24/76/566812476.db2.gz AKTSSSGWDWKOEU-LLVKDONJSA-N 0 0 381.217 3.348 10 30 GGEERN N#Cc1cscc1C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000581899044 566813838 /nfs/dbraw/zinc/81/38/38/566813838.db2.gz XQXMFBPAEXBXEF-UHFFFAOYSA-N 0 0 375.759 3.496 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCCCc1ccc(Br)cc1OC ZINC000469785475 566813975 /nfs/dbraw/zinc/81/39/75/566813975.db2.gz IGLGVYKULCYLLC-NVXWUHKLSA-N 0 0 382.298 3.488 10 30 GGEERN COc1ccc2c(c1)OCC[C@H]2NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000610265633 566820453 /nfs/dbraw/zinc/82/04/53/566820453.db2.gz GMLGVJUMJIVCBY-MRXNPFEDSA-N 0 0 378.837 3.022 10 30 GGEERN C=CCOc1cccnc1C(=O)NCc1ccc(Br)cc1OC ZINC000490021960 566826253 /nfs/dbraw/zinc/82/62/53/566826253.db2.gz DVYIVKDCFQRZQK-UHFFFAOYSA-N 0 0 377.238 3.348 10 30 GGEERN C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC#Cc2ccccc2)C1=O ZINC000517459612 566826843 /nfs/dbraw/zinc/82/68/43/566826843.db2.gz FSWCTYJRTQQUQW-IBGZPJMESA-N 0 0 383.245 3.268 10 30 GGEERN N#Cc1cc(F)c(S(=O)(=O)N2CCCC[C@H]2C(F)F)cc1Br ZINC000451492693 566827339 /nfs/dbraw/zinc/82/73/39/566827339.db2.gz DRESBRKWTXPFDL-NSHDSACASA-N 0 0 397.216 3.268 10 30 GGEERN COc1cc(C(F)(F)F)cc(S(=O)(=O)NCC2CCC(C#N)CC2)c1 ZINC000451500882 566828274 /nfs/dbraw/zinc/82/82/74/566828274.db2.gz GOWKUBCEZMNSFD-UHFFFAOYSA-N 0 0 376.400 3.322 10 30 GGEERN Cc1cc(C#N)nc(NCCSCCOc2cccc(Br)c2)n1 ZINC000562867575 566828403 /nfs/dbraw/zinc/82/84/03/566828403.db2.gz NGQDDMSJTLCKJW-UHFFFAOYSA-N 0 0 393.310 3.065 10 30 GGEERN N#Cc1c(Br)cccc1S(=O)(=O)N1CCc2ccsc2C1 ZINC000562871015 566830557 /nfs/dbraw/zinc/83/05/57/566830557.db2.gz BFDCIJGWSXUNGL-UHFFFAOYSA-N 0 0 383.292 3.129 10 30 GGEERN COc1cc(Br)ccc1CNC(=O)c1ncc(C#N)cc1Cl ZINC000428284747 566831144 /nfs/dbraw/zinc/83/11/44/566831144.db2.gz CNCOXAHDDBVDHG-UHFFFAOYSA-N 0 0 380.629 3.308 10 30 GGEERN N#C[C@H](NC(=O)Cc1ccc(I)cc1)c1ccc(F)cc1 ZINC000490108429 566831873 /nfs/dbraw/zinc/83/18/73/566831873.db2.gz YUVDGXDZZXANSH-HNNXBMFYSA-N 0 0 394.187 3.354 10 30 GGEERN Cn1nc2c(c1CNC(=O)Nc1ccc(C#N)c(Br)c1)CCCC2 ZINC000562915994 566834270 /nfs/dbraw/zinc/83/42/70/566834270.db2.gz WBSCOESRXKJIOU-UHFFFAOYSA-N 0 0 388.269 3.255 10 30 GGEERN O=S(=O)(NC1CCCC1)[C@@H]1CCCN(CC#Cc2ccccc2Cl)C1 ZINC000542886886 566834846 /nfs/dbraw/zinc/83/48/46/566834846.db2.gz PMNAUHNLYHSBBH-GOSISDBHSA-N 0 0 380.941 3.018 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCCc2c[nH]c3ccc(F)cc23)ccc1Cl ZINC000517622114 566836713 /nfs/dbraw/zinc/83/67/13/566836713.db2.gz AOLQTOLJCAQOGJ-UHFFFAOYSA-N 0 0 377.828 3.353 10 30 GGEERN Cc1c(Br)c2ccccc2n1CC(=O)N1CCSC[C@@H]1C#N ZINC000582173258 566836886 /nfs/dbraw/zinc/83/68/86/566836886.db2.gz RTOZQXJIVUWDTJ-LBPRGKRZSA-N 0 0 378.295 3.180 10 30 GGEERN N#Cc1ccc(CC(=O)Nc2cc(I)ccc2O)cc1 ZINC000610490720 566836980 /nfs/dbraw/zinc/83/69/80/566836980.db2.gz HPVSLBDFWOYWEX-UHFFFAOYSA-N 0 0 378.169 3.050 10 30 GGEERN C=CCOc1ccc(C(=O)Nc2cn(CC)cc(Br)c2=O)cc1 ZINC000679169508 566838764 /nfs/dbraw/zinc/83/87/64/566838764.db2.gz TXROYVDYYZLLHV-UHFFFAOYSA-N 0 0 377.238 3.448 10 30 GGEERN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2ccc(Br)o2)n1 ZINC000542946544 566841397 /nfs/dbraw/zinc/84/13/97/566841397.db2.gz RKJRJRFIPGNSRZ-UHFFFAOYSA-N 0 0 391.612 3.427 10 30 GGEERN C=CCOc1c(Br)cc(CN2C[C@H](O)C3(CC3)C2)cc1OCC ZINC000428419291 566842012 /nfs/dbraw/zinc/84/20/12/566842012.db2.gz MIIHBZGITJAPSJ-INIZCTEOSA-N 0 0 382.298 3.369 10 30 GGEERN C[C@@H]1C[C@@]2(CCO1)CN(C(=O)c1ccc(Br)cc1C#N)C[C@H](C)O2 ZINC000451595640 566846521 /nfs/dbraw/zinc/84/65/21/566846521.db2.gz KKNPHVRNYRXPOW-VBHSOAQHSA-N 0 0 393.281 3.119 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NCCCC2CCOCC2)cc1C(F)(F)F ZINC000451606665 566848141 /nfs/dbraw/zinc/84/81/41/566848141.db2.gz ISBPWECVZSKUOI-UHFFFAOYSA-N 0 0 376.400 3.062 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCCCC2CCOCC2)ccc1C(F)(F)F ZINC000451614207 566850622 /nfs/dbraw/zinc/85/06/22/566850622.db2.gz PSXNYEVPCVBZPD-UHFFFAOYSA-N 0 0 376.400 3.062 10 30 GGEERN CC(C)(NS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1[N+](=O)[O-] ZINC000490459179 566853853 /nfs/dbraw/zinc/85/38/53/566853853.db2.gz QIBWROXMLZZYBX-UHFFFAOYSA-N 0 0 379.825 3.333 10 30 GGEERN CC(C)(NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1cc(C(F)(F)F)on1 ZINC000490466141 566855489 /nfs/dbraw/zinc/85/54/89/566855489.db2.gz YQIMOAKNGRSOPE-UHFFFAOYSA-N 0 0 393.774 3.432 10 30 GGEERN CC(C)(NS(=O)(=O)c1cccc(Cl)c1C#N)c1cc(C(F)(F)F)on1 ZINC000490475785 566857100 /nfs/dbraw/zinc/85/71/00/566857100.db2.gz GGDJNIHOJZNGRQ-UHFFFAOYSA-N 0 0 393.774 3.432 10 30 GGEERN C=CCOCCNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000679475758 566857843 /nfs/dbraw/zinc/85/78/43/566857843.db2.gz YUKHLOCKPXJUPW-UHFFFAOYSA-N 0 0 377.306 3.205 10 30 GGEERN COCc1ccsc1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000470221803 566858030 /nfs/dbraw/zinc/85/80/30/566858030.db2.gz DCIUJASRTQGQCF-UHFFFAOYSA-N 0 0 375.881 3.382 10 30 GGEERN N#CCCCNC(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC000543176908 566860464 /nfs/dbraw/zinc/86/04/64/566860464.db2.gz MPHYSBHYLUQFBU-AWEZNQCLSA-N 0 0 383.233 3.441 10 30 GGEERN C=CCOCCNC(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 ZINC000679516322 566860429 /nfs/dbraw/zinc/86/04/29/566860429.db2.gz ZYXMMJSGZMYWEN-UHFFFAOYSA-N 0 0 378.270 3.184 10 30 GGEERN C=CCOCCNC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000679497909 566860483 /nfs/dbraw/zinc/86/04/83/566860483.db2.gz QECAWSAUBYVZFQ-NSHDSACASA-N 0 0 395.257 3.062 10 30 GGEERN N#Cc1ccc(CNC(=O)c2cc(I)ccc2F)c(F)c1 ZINC000610771500 566862412 /nfs/dbraw/zinc/86/24/12/566862412.db2.gz WZXRQHHAKILMHQ-UHFFFAOYSA-N 0 0 398.150 3.371 10 30 GGEERN N#C[C@@H](NC(=O)Cn1cc(-c2ccccc2)nn1)c1ccccc1Br ZINC000610773157 566862464 /nfs/dbraw/zinc/86/24/64/566862464.db2.gz PDCVRDHEKWEKNQ-MRXNPFEDSA-N 0 0 396.248 3.089 10 30 GGEERN COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000610787271 566864158 /nfs/dbraw/zinc/86/41/58/566864158.db2.gz CUZDCYDZHWSTMZ-DLBZAZTESA-N 0 0 384.307 3.373 10 30 GGEERN COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000451717275 566869553 /nfs/dbraw/zinc/86/95/53/566869553.db2.gz BVJKKLVHZHGYRX-STQMWFEESA-N 0 0 376.400 3.356 10 30 GGEERN COC(=O)c1ccc(C(=O)N[C@@H](C#N)c2ccccc2Br)cc1F ZINC000610884683 566871858 /nfs/dbraw/zinc/87/18/58/566871858.db2.gz APPRTVWXGCFJBC-HNNXBMFYSA-N 0 0 391.196 3.369 10 30 GGEERN CC1(C)CN(c2ccc(Cl)cc2)CCN1S(=O)(=O)CC1(C#N)CCC1 ZINC000490625932 566872232 /nfs/dbraw/zinc/87/22/32/566872232.db2.gz MGPDOCGXCRJELZ-UHFFFAOYSA-N 0 0 381.929 3.264 10 30 GGEERN COC(=O)c1ccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc1F ZINC000610880542 566872480 /nfs/dbraw/zinc/87/24/80/566872480.db2.gz AVDBYAOHNVCDCY-HNNXBMFYSA-N 0 0 391.196 3.369 10 30 GGEERN COC(=O)c1ccc(C(=O)N[C@H](C#N)c2ccccc2Br)cc1F ZINC000610884684 566872640 /nfs/dbraw/zinc/87/26/40/566872640.db2.gz APPRTVWXGCFJBC-OAHLLOKOSA-N 0 0 391.196 3.369 10 30 GGEERN 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C=CCCCCCNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000565222566 567048222 /nfs/dbraw/zinc/04/82/22/567048222.db2.gz SRJCTHROGXSGPI-UHFFFAOYSA-N 0 0 378.416 3.003 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000613614630 567048605 /nfs/dbraw/zinc/04/86/05/567048605.db2.gz AAOYGSJTDIUVCB-GFCCVEGCSA-N 0 0 382.848 3.407 10 30 GGEERN C=CCOc1c(Br)cc(CN2C[C@H](O)CC(F)(F)C2)cc1OC ZINC000682559853 567059704 /nfs/dbraw/zinc/05/97/04/567059704.db2.gz KYBFFMWIDCTUFQ-GFCCVEGCSA-N 0 0 392.240 3.224 10 30 GGEERN C[C@H]1COCC[C@@H]1c1noc(COc2ccc(C#N)c(Br)c2)n1 ZINC000453175694 567059733 /nfs/dbraw/zinc/05/97/33/567059733.db2.gz PIMLUQDAWKIKKS-GWCFXTLKSA-N 0 0 378.226 3.423 10 30 GGEERN N#CCC1(CNC(=O)CCCOc2ccc(I)cc2)CC1 ZINC000431159022 567060357 /nfs/dbraw/zinc/06/03/57/567060357.db2.gz FXTRXEJNONUZSS-UHFFFAOYSA-N 0 0 398.244 3.260 10 30 GGEERN C=CCCN(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000682593737 567062729 /nfs/dbraw/zinc/06/27/29/567062729.db2.gz IRFCMLNPEBZUGO-UHFFFAOYSA-N 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C=CCN(Cc1cc(C(=O)OC)oc1C)S(=O)(=O)c1cccc(Cl)c1 ZINC000522054524 567096756 /nfs/dbraw/zinc/09/67/56/567096756.db2.gz NTKUHVUHEWNULT-UHFFFAOYSA-N 0 0 383.853 3.405 10 30 GGEERN C[C@@H]1CO[C@H](C(F)(F)F)CN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000586777727 567096831 /nfs/dbraw/zinc/09/68/31/567096831.db2.gz WXXBDPKFSACWJP-YGRLFVJLSA-N 0 0 375.778 3.192 10 30 GGEERN C=C[C@H](C)NC(=O)c1cc(Br)cc(I)c1 ZINC000586796478 567096891 /nfs/dbraw/zinc/09/68/91/567096891.db2.gz DPYJVQGIHWTQLB-ZETCQYMHSA-N 0 0 380.023 3.358 10 30 GGEERN CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000614248171 567098547 /nfs/dbraw/zinc/09/85/47/567098547.db2.gz ROANYYXCQLVSCB-NEPJUHHUSA-N 0 0 385.247 3.048 10 30 GGEERN COC(=O)c1ccc(S(=O)(=O)N[C@@H](CCCC#N)c2ccccc2)s1 ZINC000431642120 567099370 /nfs/dbraw/zinc/09/93/70/567099370.db2.gz ZOAJMSGBUHPXED-AWEZNQCLSA-N 0 0 378.475 3.248 10 30 GGEERN N#Cc1cc(Cl)c(C(=O)N2CCC[C@H](c3ccnc(N)n3)C2)c(Cl)c1 ZINC000586814530 567099865 /nfs/dbraw/zinc/09/98/65/567099865.db2.gz MKEQGMKQQLYLCN-NSHDSACASA-N 0 0 376.247 3.087 10 30 GGEERN N#Cc1ccc(OCCNC(=O)NCc2ccc(Br)c(F)c2)cc1 ZINC000497498380 567101422 /nfs/dbraw/zinc/10/14/22/567101422.db2.gz WASNLMUFWHGHTF-UHFFFAOYSA-N 0 0 392.228 3.338 10 30 GGEERN N#Cc1cc(Cl)cc(Br)c1N1CCC(NC(=O)C2CC2)CC1 ZINC000587146656 567102948 /nfs/dbraw/zinc/10/29/48/567102948.db2.gz OCNLYLDOVZTWHC-UHFFFAOYSA-N 0 0 382.689 3.469 10 30 GGEERN CCCCS[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000522204602 567104473 /nfs/dbraw/zinc/10/44/73/567104473.db2.gz DTLIWSCXXCIMRU-XJKSGUPXSA-N 0 0 377.535 3.320 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000614362177 567106894 /nfs/dbraw/zinc/10/68/94/567106894.db2.gz PARPHOAECOLHSS-ZQIUZPCESA-N 0 0 397.288 3.421 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCc1ccc(OC)cc1Br ZINC000614373033 567106930 /nfs/dbraw/zinc/10/69/30/567106930.db2.gz OCXWKBWCUWPQPR-KBXCAEBGSA-N 0 0 382.298 3.488 10 30 GGEERN COc1cc(Br)ccc1CNc1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000588022160 567107944 /nfs/dbraw/zinc/10/79/44/567107944.db2.gz QOODWRLNCYZBMJ-UHFFFAOYSA-N 0 0 377.198 3.432 10 30 GGEERN Cc1cc(C#N)cc(N2CCN(Cc3cc(Br)ccc3F)CC2)n1 ZINC000588039733 567109049 /nfs/dbraw/zinc/10/90/49/567109049.db2.gz BEMSBBANBKWBPP-UHFFFAOYSA-N 0 0 389.272 3.486 10 30 GGEERN Cc1cc(C#N)cc(N(C)Cc2cn(-c3cccc(Br)c3)nn2)n1 ZINC000588039015 567109840 /nfs/dbraw/zinc/10/98/40/567109840.db2.gz HZZXMGBNEZNOAO-UHFFFAOYSA-N 0 0 383.253 3.241 10 30 GGEERN Cc1cc(Br)cc2c1CN(S(=O)(=O)CC1(C#N)CCC1)CC2 ZINC000565958362 567114679 /nfs/dbraw/zinc/11/46/79/567114679.db2.gz OCJQZAZAPUXEIR-UHFFFAOYSA-N 0 0 383.311 3.139 10 30 GGEERN C[C@]1(C#N)CCCN(S(=O)(=O)c2cc(Br)cc3cccnc32)C1 ZINC000588126349 567116142 /nfs/dbraw/zinc/11/61/42/567116142.db2.gz IHVFFJMWJIHESU-MRXNPFEDSA-N 0 0 394.294 3.312 10 30 GGEERN N#Cc1cccc(N2CCN(Cc3cc(F)ccc3Br)CC2)n1 ZINC000546210129 567116169 /nfs/dbraw/zinc/11/61/69/567116169.db2.gz ODPDCFOKHZNXJG-UHFFFAOYSA-N 0 0 375.245 3.177 10 30 GGEERN C=CCOc1ccccc1CNC(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000431924755 567116580 /nfs/dbraw/zinc/11/65/80/567116580.db2.gz LERMAUBSNXOOJR-LBPRGKRZSA-N 0 0 391.269 3.364 10 30 GGEERN N#Cc1cc(F)c(N2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1Br ZINC000566020446 567120086 /nfs/dbraw/zinc/12/00/86/567120086.db2.gz QECWDRVALXYJLE-UHFFFAOYSA-N 0 0 390.260 3.387 10 30 GGEERN COC(=O)Cc1cccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c1 ZINC000614604771 567124582 /nfs/dbraw/zinc/12/45/82/567124582.db2.gz GCQGFGPDKBFZQD-INIZCTEOSA-N 0 0 387.233 3.159 10 30 GGEERN N#Cc1cscc1C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000432030303 567126414 /nfs/dbraw/zinc/12/64/14/567126414.db2.gz DCYDHOJOFIWNSM-UHFFFAOYSA-N 0 0 375.881 3.110 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc2c(cccc2Br)s1 ZINC000614798370 567139284 /nfs/dbraw/zinc/13/92/84/567139284.db2.gz GAUNNSHWXXNHJO-LLVKDONJSA-N 0 0 382.283 3.468 10 30 GGEERN CCN(C)C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000588853146 567141071 /nfs/dbraw/zinc/14/10/71/567141071.db2.gz QUNAEQIMUZKCJI-UHFFFAOYSA-N 0 0 377.853 3.104 10 30 GGEERN COc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c(Br)c1 ZINC000546600904 567141728 /nfs/dbraw/zinc/14/17/28/567141728.db2.gz TVYGDYXDHKDZRS-UHFFFAOYSA-N 0 0 398.220 3.162 10 30 GGEERN N#Cc1ccc(OCCNC(=O)c2cnc3ncc(Br)cc3c2)cc1 ZINC000614843501 567142758 /nfs/dbraw/zinc/14/27/58/567142758.db2.gz CWGHBGGMBDXTBN-UHFFFAOYSA-N 0 0 397.232 3.073 10 30 GGEERN CCCN(Cc1ccc(C#N)cc1)c1ncc(I)cn1 ZINC000546621880 567143557 /nfs/dbraw/zinc/14/35/57/567143557.db2.gz IKTUNHXNKGKTIL-UHFFFAOYSA-N 0 0 378.217 3.369 10 30 GGEERN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000566313627 567148524 /nfs/dbraw/zinc/14/85/24/567148524.db2.gz KOSPGBFDZWFXER-APPDUMDISA-N 0 0 398.260 3.309 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCCc2cccc(C(F)(F)F)n2)ccc1Cl ZINC000432306840 567148654 /nfs/dbraw/zinc/14/86/54/567148654.db2.gz NUEOXPOAFPSIIX-UHFFFAOYSA-N 0 0 389.786 3.146 10 30 GGEERN N#Cc1ccc(NC(=O)c2csc(-c3ncccn3)n2)cc1Br ZINC000589010421 567149468 /nfs/dbraw/zinc/14/94/68/567149468.db2.gz BYIPNMDPLLSZKB-UHFFFAOYSA-N 0 0 386.234 3.487 10 30 GGEERN CSC[C@](C)(C#N)NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000589048155 567150842 /nfs/dbraw/zinc/15/08/42/567150842.db2.gz ZCVJNBJSRPXFIH-HNNXBMFYSA-N 0 0 380.267 3.078 10 30 GGEERN C=C[C@@](C)(CCOC)C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000474241836 567150944 /nfs/dbraw/zinc/15/09/44/567150944.db2.gz HIHKBQZGYPFPOP-IBGZPJMESA-N 0 0 395.341 3.322 10 30 GGEERN CC(C)CCSCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000523358019 567154234 /nfs/dbraw/zinc/15/42/34/567154234.db2.gz GEWIHUQXDQUKCN-INIZCTEOSA-N 0 0 377.535 3.178 10 30 GGEERN CC(C)CCSCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000523358020 567154482 /nfs/dbraw/zinc/15/44/82/567154482.db2.gz GEWIHUQXDQUKCN-MRXNPFEDSA-N 0 0 377.535 3.178 10 30 GGEERN CN(C1Cc2ccccc2C1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000566402279 567155441 /nfs/dbraw/zinc/15/54/41/567155441.db2.gz AVEIIHRUDDFMLM-UHFFFAOYSA-N 0 0 391.290 3.109 10 30 GGEERN CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)c2cscc2C#N)c1 ZINC000432398791 567155953 /nfs/dbraw/zinc/15/59/53/567155953.db2.gz FDMQQBZELGBRAJ-UHFFFAOYSA-N 0 0 377.491 3.090 10 30 GGEERN N#Cc1ccc(CN2CCN(c3nc(C4CC4)ncc3Br)CC2)cc1 ZINC000589102773 567157042 /nfs/dbraw/zinc/15/70/42/567157042.db2.gz AMVWPLDKVNKMQJ-UHFFFAOYSA-N 0 0 398.308 3.310 10 30 GGEERN N#Cc1cc(F)c(S(=O)(=O)N2CCOc3ccccc32)cc1Br ZINC000589126818 567157258 /nfs/dbraw/zinc/15/72/58/567157258.db2.gz DXILMAJQKISTGY-UHFFFAOYSA-N 0 0 397.225 3.048 10 30 GGEERN N#Cc1cscc1C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000498216425 567159656 /nfs/dbraw/zinc/15/96/56/567159656.db2.gz NACVYPSXMBWUKK-AWEZNQCLSA-N 0 0 380.256 3.462 10 30 GGEERN N#C[C@H](NC(=O)c1ccnc(-n2cccn2)c1)c1ccc(Br)cc1 ZINC000523528525 567160883 /nfs/dbraw/zinc/16/08/83/567160883.db2.gz DHYKEGOEKXWGSN-HNNXBMFYSA-N 0 0 382.221 3.024 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NCc2cc(F)cc(Br)c2)c(F)c1 ZINC000523563084 567162285 /nfs/dbraw/zinc/16/22/85/567162285.db2.gz MTFNZXSKHJJHCA-UHFFFAOYSA-N 0 0 387.205 3.077 10 30 GGEERN N#Cc1cccc(CNC(=O)CSCc2ncc(Br)s2)c1 ZINC000432503559 567164011 /nfs/dbraw/zinc/16/40/11/567164011.db2.gz SRIWIDFYXQKVCY-UHFFFAOYSA-N 0 0 382.308 3.327 10 30 GGEERN N#Cc1cscc1C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000432506051 567165904 /nfs/dbraw/zinc/16/59/04/567165904.db2.gz RESMSNGHPMUDHN-QGZVFWFLSA-N 0 0 375.881 3.076 10 30 GGEERN N#Cc1cscc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000432506050 567166347 /nfs/dbraw/zinc/16/63/47/567166347.db2.gz RESMSNGHPMUDHN-KRWDZBQOSA-N 0 0 375.881 3.076 10 30 GGEERN N#Cc1ncccc1S(=O)(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000546870405 567166605 /nfs/dbraw/zinc/16/66/05/567166605.db2.gz MFKFRUAPUPVJHA-UHFFFAOYSA-N 0 0 379.844 3.256 10 30 GGEERN N#CC1(CS(=O)(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CCC1 ZINC000589218936 567166822 /nfs/dbraw/zinc/16/68/22/567166822.db2.gz MJCPPQLTVWQLCJ-UWVGGRQHSA-N 0 0 378.338 3.073 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCC1(c2ccccc2Br)CCC1 ZINC000615186480 567167970 /nfs/dbraw/zinc/16/79/70/567167970.db2.gz SRCMRDWIUVLJPS-KRWDZBQOSA-N 0 0 393.325 3.458 10 30 GGEERN N#CC1(CS(=O)(=O)NCCOCc2ccc(Cl)cc2Cl)CCC1 ZINC000589227666 567168414 /nfs/dbraw/zinc/16/84/14/567168414.db2.gz LNOVNTBLTNFPQW-UHFFFAOYSA-N 0 0 377.293 3.123 10 30 GGEERN N#Cc1cc(S(=O)(=O)N[C@H]2CCCN(c3ccccc3)C2)ccc1Cl ZINC000523734674 567169346 /nfs/dbraw/zinc/16/93/46/567169346.db2.gz BXEBKUMESFQZAR-HNNXBMFYSA-N 0 0 375.881 3.159 10 30 GGEERN CSc1nnc(CCCNC(=O)c2cscc2C#N)n1C1CCCC1 ZINC000432582608 567170489 /nfs/dbraw/zinc/17/04/89/567170489.db2.gz DLZSRHJSCMDFJD-UHFFFAOYSA-N 0 0 375.523 3.411 10 30 GGEERN N#Cc1cccc(N2CCN(CCOc3c(Cl)cccc3Cl)CC2)n1 ZINC000546916248 567171202 /nfs/dbraw/zinc/17/12/02/567171202.db2.gz DCAUJRUBSVLACN-UHFFFAOYSA-N 0 0 377.275 3.461 10 30 GGEERN N#Cc1cccc(N2CCN(CCOc3cc(Cl)ccc3Cl)CC2)n1 ZINC000546919305 567171569 /nfs/dbraw/zinc/17/15/69/567171569.db2.gz PMRUVVKBGUJPLN-UHFFFAOYSA-N 0 0 377.275 3.461 10 30 GGEERN CCOC(=O)c1c(C)onc1COc1c(Br)cc(C#N)cc1OC ZINC000589266311 567172264 /nfs/dbraw/zinc/17/22/64/567172264.db2.gz UEEFRBOHTRGRHM-UHFFFAOYSA-N 0 0 395.209 3.382 10 30 GGEERN C=C(C)CN(Cc1ccc(CO)o1)c1cc(Br)cc(F)c1C(N)=O ZINC000566626888 567173653 /nfs/dbraw/zinc/17/36/53/567173653.db2.gz QXGNHFFMOQXKLY-UHFFFAOYSA-N 0 0 397.244 3.355 10 30 GGEERN CC#CCCNC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000637058416 567175048 /nfs/dbraw/zinc/17/50/48/567175048.db2.gz JYFMHVRQQKHTNY-UHFFFAOYSA-N 0 0 377.282 3.440 10 30 GGEERN C=CCOCCNC(=O)N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC000637032330 567176122 /nfs/dbraw/zinc/17/61/22/567176122.db2.gz KZZMMDRJXHUOGA-UHFFFAOYSA-N 0 0 395.297 3.230 10 30 GGEERN COc1cc(CNC(=O)c2sc(Br)cc2[N+](=O)[O-])ccc1C#N ZINC000589472984 567180517 /nfs/dbraw/zinc/18/05/17/567180517.db2.gz JKZGJRJEUAAEGU-UHFFFAOYSA-N 0 0 396.222 3.229 10 30 GGEERN COC(=O)CCN(Cc1nc(C#N)cs1)Cc1cccc(Br)c1 ZINC000589512864 567180994 /nfs/dbraw/zinc/18/09/94/567180994.db2.gz MHHRLWVYRYANHG-UHFFFAOYSA-N 0 0 394.294 3.343 10 30 GGEERN Cn1cc(C#N)cc1-c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000547156942 567186055 /nfs/dbraw/zinc/18/60/55/567186055.db2.gz MLQNZCTYNRICRT-UHFFFAOYSA-N 0 0 388.181 3.208 10 30 GGEERN COc1ccc(C#N)cc1NC(=O)N[C@H](C)c1ncc(Br)cn1 ZINC000432766631 567186643 /nfs/dbraw/zinc/18/66/43/567186643.db2.gz DIOPMDNHOJRGGW-SECBINFHSA-N 0 0 376.214 3.002 10 30 GGEERN C=CCCCN(C)C(=O)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000498609176 567191401 /nfs/dbraw/zinc/19/14/01/567191401.db2.gz WZZGWVXQXKPSGX-UHFFFAOYSA-N 0 0 376.254 3.360 10 30 GGEERN N#Cc1cc(S(=O)(=O)NC2(c3ccccc3)CCOCC2)ccc1Cl ZINC000524389284 567197834 /nfs/dbraw/zinc/19/78/34/567197834.db2.gz CNLUCWIZHVRFIZ-UHFFFAOYSA-N 0 0 376.865 3.196 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)cc1Br ZINC000432865150 567199425 /nfs/dbraw/zinc/19/94/25/567199425.db2.gz HQFZVMBIHNLITP-GDBMZVCRSA-N 0 0 395.253 3.294 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)cc1Br ZINC000432865153 567199686 /nfs/dbraw/zinc/19/96/86/567199686.db2.gz HQFZVMBIHNLITP-ZBFHGGJFSA-N 0 0 395.253 3.294 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@H]2c2cccc(F)c2)cc1Br ZINC000432865152 567200124 /nfs/dbraw/zinc/20/01/24/567200124.db2.gz HQFZVMBIHNLITP-HOCLYGCPSA-N 0 0 395.253 3.294 10 30 GGEERN C[C@H](NC(=O)NCc1ccc(C#N)c(Cl)c1)c1ncc(Br)cn1 ZINC000590076212 567207084 /nfs/dbraw/zinc/20/70/84/567207084.db2.gz FIMOILIJJQPLDG-VIFPVBQESA-N 0 0 394.660 3.325 10 30 GGEERN C[C@H](NC(=O)N[C@@H]1CCc2cc(C#N)ccc21)c1ncc(Br)cn1 ZINC000590099576 567207130 /nfs/dbraw/zinc/20/71/30/567207130.db2.gz LCZQHIBICYMCRT-ZUZCIYMTSA-N 0 0 386.253 3.158 10 30 GGEERN N#C[C@@H](NC(=O)Cn1cc(-c2ccccc2)nn1)c1ccc(Br)cc1 ZINC000474905137 567207629 /nfs/dbraw/zinc/20/76/29/567207629.db2.gz FRHGSWUZGIRBCY-MRXNPFEDSA-N 0 0 396.248 3.089 10 30 GGEERN N#Cc1ccnc(C(=O)Nc2ccc(CCn3cc(Br)cn3)cc2)c1 ZINC000498881916 567207949 /nfs/dbraw/zinc/20/79/49/567207949.db2.gz VCXYEGCSJDPNKQ-UHFFFAOYSA-N 0 0 396.248 3.407 10 30 GGEERN CN(Cc1ccccc1OC(F)(F)F)S(=O)(=O)CC1(C#N)CCCC1 ZINC000498893541 567208744 /nfs/dbraw/zinc/20/87/44/567208744.db2.gz RRGPVDUUDHUWII-UHFFFAOYSA-N 0 0 376.400 3.431 10 30 GGEERN O=S(=O)(NC1CCCC1)[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000566993398 567208874 /nfs/dbraw/zinc/20/88/74/567208874.db2.gz YOZYKPBAXYSMSH-LJQANCHMSA-N 0 0 380.941 3.018 10 30 GGEERN CC(C)[C@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)C(F)(F)F ZINC000432964344 567209662 /nfs/dbraw/zinc/20/96/62/567209662.db2.gz GFYFXEATKUSGER-NSHDSACASA-N 0 0 385.205 3.186 10 30 GGEERN C[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)c1ncc(Br)cn1 ZINC000432977565 567211103 /nfs/dbraw/zinc/21/11/03/567211103.db2.gz DJRKXXGGPXZQMZ-SNVBAGLBSA-N 0 0 385.225 3.012 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H](c2cccc(Br)c2)C1 ZINC000615844473 567211555 /nfs/dbraw/zinc/21/15/55/567211555.db2.gz XDWQCYUWPDCBAZ-NVXWUHKLSA-N 0 0 379.298 3.236 10 30 GGEERN N#CC1(CC(=O)NCC2(c3cccc(Br)c3)CCOCC2)CC1 ZINC000590166370 567211415 /nfs/dbraw/zinc/21/14/15/567211415.db2.gz YQSLORZUQMSIND-UHFFFAOYSA-N 0 0 377.282 3.307 10 30 GGEERN C[C@@H](C#N)CN(C(=O)CNC(=O)c1sc2ccccc2c1Cl)C1CC1 ZINC000547458639 567212132 /nfs/dbraw/zinc/21/21/32/567212132.db2.gz ZOIMXBLYDLCRSU-NSHDSACASA-N 0 0 375.881 3.435 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NC/C=C\c2ccccc2)cc1Br ZINC000433009110 567215754 /nfs/dbraw/zinc/21/57/54/567215754.db2.gz GGXSRBXIZNLANJ-DAXSKMNVSA-N 0 0 377.263 3.312 10 30 GGEERN N#CC1(CC(=O)Nc2cc(Br)cnc2OCC(F)(F)F)CC1 ZINC000590254438 567215900 /nfs/dbraw/zinc/21/59/00/567215900.db2.gz YGYWMMPBARCCHY-UHFFFAOYSA-N 0 0 378.148 3.418 10 30 GGEERN C[C@@H](NC(=O)CC1(C#N)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000590303162 567219256 /nfs/dbraw/zinc/21/92/56/567219256.db2.gz AJOJKXMYNZGVGX-SNVBAGLBSA-N 0 0 375.226 3.370 10 30 GGEERN CC(C)Oc1ccc(NC(=O)NCc2nn(C)cc2Br)cc1C#N ZINC000455005711 567221919 /nfs/dbraw/zinc/22/19/19/567221919.db2.gz WSNSNXOWMXHPIZ-UHFFFAOYSA-N 0 0 392.257 3.163 10 30 GGEERN CC(C)[C@H](C#N)N1CCN(C(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000616062191 567223471 /nfs/dbraw/zinc/22/34/71/567223471.db2.gz MYVOLEGGOWKMAR-KRWDZBQOSA-N 0 0 390.325 3.173 10 30 GGEERN CC(C)[C@@H](C#N)N1CCN(C(=O)C2(c3ccccc3Br)CC2)CC1 ZINC000616062192 567224163 /nfs/dbraw/zinc/22/41/63/567224163.db2.gz MYVOLEGGOWKMAR-QGZVFWFLSA-N 0 0 390.325 3.173 10 30 GGEERN Cc1cc(Br)cc2c1CN(CC(=O)NCc1ccc(C#N)cc1)CC2 ZINC000567173982 567225140 /nfs/dbraw/zinc/22/51/40/567225140.db2.gz XTNYHKNXDMFMJE-UHFFFAOYSA-N 0 0 398.304 3.304 10 30 GGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC1CCC(OC)CC1 ZINC000499150284 567227219 /nfs/dbraw/zinc/22/72/19/567227219.db2.gz VXUQEDHZAAVUBT-UHFFFAOYSA-N 0 0 384.929 3.238 10 30 GGEERN CCO[C@@H]1C[C@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)[C@H]1n1cccn1 ZINC000590534843 567230749 /nfs/dbraw/zinc/23/07/49/567230749.db2.gz QUWFYTLVPSZXTI-SQWLQELKSA-N 0 0 379.247 3.210 10 30 GGEERN Cc1ccc(NC(=O)[C@@H](C#N)c2nc3ccc(Br)cc3c(=O)[nH]2)cn1 ZINC000616177097 567231634 /nfs/dbraw/zinc/23/16/34/567231634.db2.gz ORSUPTGFSVNSMS-ZDUSSCGKSA-N 0 0 398.220 3.047 10 30 GGEERN COc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000616252783 567234927 /nfs/dbraw/zinc/23/49/27/567234927.db2.gz LNNIXKZGYUKTOV-UHFFFAOYSA-N 0 0 391.758 3.435 10 30 GGEERN N#Cc1cscc1C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000433236690 567235441 /nfs/dbraw/zinc/23/54/41/567235441.db2.gz RLYSOISFPAZNGV-UHFFFAOYSA-N 0 0 388.250 3.274 10 30 GGEERN Cc1ccc(C(=O)N2CCN([C@H](C#N)C(C)C)CC2)c(C)c1Br ZINC000616296151 567236314 /nfs/dbraw/zinc/23/63/14/567236314.db2.gz AVDPZHHCHVISJQ-MRXNPFEDSA-N 0 0 378.314 3.372 10 30 GGEERN Cc1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(C)c1Br ZINC000616262572 567236920 /nfs/dbraw/zinc/23/69/20/567236920.db2.gz RJQVRGNYESHCBH-UHFFFAOYSA-N 0 0 399.292 3.295 10 30 GGEERN Cc1ccc(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c(C)c1Br ZINC000616296148 567237218 /nfs/dbraw/zinc/23/72/18/567237218.db2.gz AVDPZHHCHVISJQ-INIZCTEOSA-N 0 0 378.314 3.372 10 30 GGEERN N#C[C@@H](NC(=O)c1cn(-c2ccccc2)nn1)c1ccc(Br)cc1 ZINC000499384704 567242480 /nfs/dbraw/zinc/24/24/80/567242480.db2.gz SEKDSHFYYAMWOB-OAHLLOKOSA-N 0 0 382.221 3.024 10 30 GGEERN N#C[C@@H](NC(=O)c1ccc(-c2ncon2)cc1)c1ccc(Br)cc1 ZINC000499391382 567243978 /nfs/dbraw/zinc/24/39/78/567243978.db2.gz BCICYEZEGUFSMF-OAHLLOKOSA-N 0 0 383.205 3.494 10 30 GGEERN COc1ccccc1OCC(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000499392460 567244222 /nfs/dbraw/zinc/24/42/22/567244222.db2.gz PGKQMWNRVRHHKW-AWEZNQCLSA-N 0 0 375.222 3.218 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)N2CCS[C@@H](c3ccccc3)C2)c(F)c1 ZINC000616417975 567244606 /nfs/dbraw/zinc/24/46/06/567244606.db2.gz HCIFCZIYDSFIAP-GOSISDBHSA-N 0 0 376.478 3.317 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)ccc1Cl ZINC000590762541 567244841 /nfs/dbraw/zinc/24/48/41/567244841.db2.gz FKWZOMRPDROLNZ-WBVHZDCISA-N 0 0 380.897 3.181 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(-c2cccc(Br)c2)no1 ZINC000616409219 567244914 /nfs/dbraw/zinc/24/49/14/567244914.db2.gz KDRVEBCVBOXXTA-WFASDCNBSA-N 0 0 377.238 3.425 10 30 GGEERN CC(=O)Nc1ccc(CC(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1 ZINC000499404047 567245025 /nfs/dbraw/zinc/24/50/25/567245025.db2.gz IKTSQMXGHWXQPD-QGZVFWFLSA-N 0 0 386.249 3.331 10 30 GGEERN N#C[C@@H](NC(=O)COc1ccc(F)cc1F)c1ccc(Br)cc1 ZINC000499410794 567245062 /nfs/dbraw/zinc/24/50/62/567245062.db2.gz DUSZOMQSCUIYLP-CQSZACIVSA-N 0 0 381.176 3.487 10 30 GGEERN Cc1nn(C)c2nc(C)c(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)cc12 ZINC000499408653 567245353 /nfs/dbraw/zinc/24/53/53/567245353.db2.gz QFYHSNKXLOILJH-INIZCTEOSA-N 0 0 398.264 3.342 10 30 GGEERN Cc1nn(C)c2nc(C)c(C(=O)N[C@H](C#N)c3ccc(Br)cc3)cc12 ZINC000499408654 567245661 /nfs/dbraw/zinc/24/56/61/567245661.db2.gz QFYHSNKXLOILJH-MRXNPFEDSA-N 0 0 398.264 3.342 10 30 GGEERN Cc1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c(C)c1Br ZINC000616438341 567245817 /nfs/dbraw/zinc/24/58/17/567245817.db2.gz YUQMVWHFLLQHEN-UHFFFAOYSA-N 0 0 399.292 3.295 10 30 GGEERN COC(=O)c1ccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)c(F)c1 ZINC000475391727 567245805 /nfs/dbraw/zinc/24/58/05/567245805.db2.gz MXPXKGAFSDSDDF-OAHLLOKOSA-N 0 0 391.196 3.369 10 30 GGEERN N#C[C@@H](NC(=O)c1cc(-c2cccnc2)on1)c1ccc(Br)cc1 ZINC000499416669 567246528 /nfs/dbraw/zinc/24/65/28/567246528.db2.gz URGMIVCXUGZRLX-OAHLLOKOSA-N 0 0 383.205 3.494 10 30 GGEERN N#C[C@@H](NC(=O)c1cc(=O)c2ccccc2[nH]1)c1ccc(Br)cc1 ZINC000499417631 567246813 /nfs/dbraw/zinc/24/68/13/567246813.db2.gz HVKGEEHVGDIPIY-MRXNPFEDSA-N 0 0 382.217 3.285 10 30 GGEERN C[S@@](=O)Cc1cccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)c1 ZINC000499416613 567247046 /nfs/dbraw/zinc/24/70/46/567247046.db2.gz HLMNTENYOXDMIS-WAIKUNEKSA-N 0 0 391.290 3.322 10 30 GGEERN Cc1[nH]nc2nc(C)cc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)c12 ZINC000499419822 567247091 /nfs/dbraw/zinc/24/70/91/567247091.db2.gz LPTMUMDLTKEFLE-CQSZACIVSA-N 0 0 384.237 3.332 10 30 GGEERN CC(C)n1cnnc1SCC(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000499416865 567247122 /nfs/dbraw/zinc/24/71/22/567247122.db2.gz GMNYESYZDNXNCL-ZDUSSCGKSA-N 0 0 394.298 3.095 10 30 GGEERN CCN(CC)S(=O)(=O)c1ccc(SCC#Cc2ccc(F)cc2)nc1 ZINC000433393424 567247373 /nfs/dbraw/zinc/24/73/73/567247373.db2.gz DJZLFEFNIQQBHQ-UHFFFAOYSA-N 0 0 378.494 3.395 10 30 GGEERN N#C[C@H](NC(=O)CSC[C@@H]1CCCCO1)c1ccc(Br)cc1 ZINC000499431465 567247875 /nfs/dbraw/zinc/24/78/75/567247875.db2.gz GFLXHFQRIDVJPG-GJZGRUSLSA-N 0 0 383.311 3.432 10 30 GGEERN C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000499437599 567248054 /nfs/dbraw/zinc/24/80/54/567248054.db2.gz QRWFQSBVGQLIOO-LRDDRELGSA-N 0 0 384.233 3.469 10 30 GGEERN N#C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000499431454 567248575 /nfs/dbraw/zinc/24/85/75/567248575.db2.gz GBPQJTQNEFBQAY-ZDUSSCGKSA-N 0 0 390.193 3.117 10 30 GGEERN N#C[C@H](NC(=O)CSC[C@H]1CCCCO1)c1ccc(Br)cc1 ZINC000499431464 567248788 /nfs/dbraw/zinc/24/87/88/567248788.db2.gz GFLXHFQRIDVJPG-CABCVRRESA-N 0 0 383.311 3.432 10 30 GGEERN Cc1cccc(-n2cc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)nn2)c1 ZINC000499443538 567249575 /nfs/dbraw/zinc/24/95/75/567249575.db2.gz MBZGAGRPSXGKNQ-MRXNPFEDSA-N 0 0 396.248 3.333 10 30 GGEERN COc1cc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)ccc1[N+](=O)[O-] ZINC000499445073 567250111 /nfs/dbraw/zinc/25/01/11/567250111.db2.gz PLBLWEPLYVHRGI-CYBMUJFWSA-N 0 0 390.193 3.361 10 30 GGEERN N#C[C@@H](NC(=O)CCNC(=O)c1cccs1)c1ccc(Br)cc1 ZINC000499444625 567250369 /nfs/dbraw/zinc/25/03/69/567250369.db2.gz OQNHCPLUJWWEHR-CYBMUJFWSA-N 0 0 392.278 3.012 10 30 GGEERN N#Cc1cc(F)c(S(=O)(=O)[N-]Cc2cc(F)c(Cl)cc2F)c(F)c1 ZINC000433443409 567251026 /nfs/dbraw/zinc/25/10/26/567251026.db2.gz MDCOVCADPBFNHR-UHFFFAOYSA-N 0 0 378.734 3.247 10 30 GGEERN COCCN(Cc1sccc1Br)C(=O)c1cc(O)cc(C#N)c1 ZINC000616716197 567253793 /nfs/dbraw/zinc/25/37/93/567253793.db2.gz HHEBOCHTFCCFTA-UHFFFAOYSA-N 0 0 395.278 3.377 10 30 GGEERN CCn1c(CNC(=O)c2cc(O)cc(C#N)c2)nc2cc(Br)ccc21 ZINC000616722408 567253897 /nfs/dbraw/zinc/25/38/97/567253897.db2.gz MKINZYGSQYBCBJ-UHFFFAOYSA-N 0 0 399.248 3.326 10 30 GGEERN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(NC(C)=O)c(Br)c1 ZINC000660068219 567255208 /nfs/dbraw/zinc/25/52/08/567255208.db2.gz AISYZVHKWZCRNG-BETUJISGSA-N 0 0 399.310 3.279 10 30 GGEERN COC(=O)c1cccc(NC(=O)N[C@H]2CC[C@@H](CC#N)C2)c1Br ZINC000455269305 567255271 /nfs/dbraw/zinc/25/52/71/567255271.db2.gz MKOIQOPKCIRRNK-QWRGUYRKSA-N 0 0 380.242 3.440 10 30 GGEERN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000660068596 567255400 /nfs/dbraw/zinc/25/54/00/567255400.db2.gz LFWFZYJXFLNFQV-PHIMTYICSA-N 0 0 390.274 3.469 10 30 GGEERN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000660068799 567255906 /nfs/dbraw/zinc/25/59/06/567255906.db2.gz RFOAXSLQABNLRI-BETUJISGSA-N 0 0 384.885 3.179 10 30 GGEERN Cc1ccc(Br)cc1NC(=O)CNC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000455286779 567258359 /nfs/dbraw/zinc/25/83/59/567258359.db2.gz ZPJFKTAPMXYPRS-JSGCOSHPSA-N 0 0 393.285 3.078 10 30 GGEERN COc1cc(CN(C)S(=O)(=O)c2cc(C#N)ccc2Cl)cc(OC)c1 ZINC000475586985 567258903 /nfs/dbraw/zinc/25/89/03/567258903.db2.gz FOCNHSKFILPEOO-UHFFFAOYSA-N 0 0 380.853 3.050 10 30 GGEERN CC[C@H](NC(=O)N[C@@H](c1cc(F)ccc1F)C(F)F)[C@@H](O)C(F)(F)F ZINC000433623445 567263264 /nfs/dbraw/zinc/26/32/64/567263264.db2.gz GXWCJSWITFHMRR-GARJFASQSA-N 0 0 376.272 3.272 10 30 GGEERN CN(CCNC(=O)N[C@@H](c1cc(F)ccc1F)C(F)F)CC(F)(F)F ZINC000433652008 567264284 /nfs/dbraw/zinc/26/42/84/567264284.db2.gz WYGKGTYSCPAJLQ-NSHDSACASA-N 0 0 375.288 3.064 10 30 GGEERN O=S(=O)(c1ccc(F)cc1C(F)(F)F)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000660133399 567265952 /nfs/dbraw/zinc/26/59/52/567265952.db2.gz QJGASYHVRLGDIJ-VIFPVBQESA-N 0 0 395.296 3.186 10 30 GGEERN O=S(=O)(c1ccc(C(F)(F)F)cc1F)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000660132368 567266341 /nfs/dbraw/zinc/26/63/41/567266341.db2.gz BZRFOASZTDWRIS-VIFPVBQESA-N 0 0 395.296 3.186 10 30 GGEERN C[C@H](C#N)CN(C)C(=O)NCc1ccc(I)cc1Cl ZINC000475684634 567268339 /nfs/dbraw/zinc/26/83/39/567268339.db2.gz KSKMULDEVCJUEL-SECBINFHSA-N 0 0 391.640 3.246 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@H]2CCOc3c(Br)cccc32)s1 ZINC000499741437 567269114 /nfs/dbraw/zinc/26/91/14/567269114.db2.gz UQUDSLXSZVDVOG-LBPRGKRZSA-N 0 0 399.291 3.184 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cn(-c2ccc(Br)cc2)nc1C ZINC000567694984 567269428 /nfs/dbraw/zinc/26/94/28/567269428.db2.gz MDSDPNDBRZNJEG-GUYCJALGSA-N 0 0 390.281 3.264 10 30 GGEERN CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000499734199 567269915 /nfs/dbraw/zinc/26/99/15/567269915.db2.gz MQBMZCABZZEDMN-VZJVUDMVSA-N 0 0 376.309 3.165 10 30 GGEERN C[C@H](C#N)CN(Cc1ccc(Br)cc1N1CCOCC1)C1CC1 ZINC000475721891 567270130 /nfs/dbraw/zinc/27/01/30/567270130.db2.gz OZQWTYGBYGLBTK-CQSZACIVSA-N 0 0 378.314 3.410 10 30 GGEERN C[C@@H]1OCCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)[C@@H]1C(F)(F)F ZINC000660145721 567270874 /nfs/dbraw/zinc/27/08/74/567270874.db2.gz WUJHIJGKNFIXMZ-CPCISQLKSA-N 0 0 395.296 3.185 10 30 GGEERN Cc1nccc(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)c1Br ZINC000525851015 567270942 /nfs/dbraw/zinc/27/09/42/567270942.db2.gz QNHYVZHPUBLLCZ-QGZVFWFLSA-N 0 0 388.265 3.488 10 30 GGEERN C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC000499806160 567274390 /nfs/dbraw/zinc/27/43/90/567274390.db2.gz XZCUPLCCMXDLLF-IAQYHMDHSA-N 0 0 376.243 3.493 10 30 GGEERN C[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC000499806162 567274476 /nfs/dbraw/zinc/27/44/76/567274476.db2.gz XZCUPLCCMXDLLF-XHDPSFHLSA-N 0 0 376.243 3.493 10 30 GGEERN N#Cc1ccc(Cl)c(S(=O)(=O)NCCc2c[nH]c3ccc(F)cc23)c1 ZINC000475779466 567275829 /nfs/dbraw/zinc/27/58/29/567275829.db2.gz JIRVUOBPWVITES-UHFFFAOYSA-N 0 0 377.828 3.353 10 30 GGEERN COC(=O)c1cc(NC(=O)COc2ccc(C#N)cc2)ccc1Br ZINC000548053200 567276151 /nfs/dbraw/zinc/27/61/51/567276151.db2.gz SZYSIBHMMKEUMG-UHFFFAOYSA-N 0 0 389.205 3.125 10 30 GGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1ccc(Br)s1 ZINC000617043027 567277543 /nfs/dbraw/zinc/27/75/43/567277543.db2.gz YRBGIIKPPPEJQI-RYUDHWBXSA-N 0 0 385.327 3.492 10 30 GGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000617038970 567277942 /nfs/dbraw/zinc/27/79/42/567277942.db2.gz AQWCKXMOLXSHDJ-GXTWGEPZSA-N 0 0 390.285 3.290 10 30 GGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC000617038973 567278189 /nfs/dbraw/zinc/27/81/89/567278189.db2.gz AQWCKXMOLXSHDJ-TZMCWYRMSA-N 0 0 390.285 3.290 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@H]2CCCC(F)(F)C2)cc1Br ZINC000433865067 567278160 /nfs/dbraw/zinc/27/81/60/567278160.db2.gz NJUXOVYDTZKXKG-JTQLQIEISA-N 0 0 379.226 3.177 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@@H](c2cccnc2)C2CC2)cc1Br ZINC000433856746 567278649 /nfs/dbraw/zinc/27/86/49/567278649.db2.gz BFJDRSIFKJJACC-MRXNPFEDSA-N 0 0 392.278 3.145 10 30 GGEERN C=CCn1c(COC)nnc1N1CCc2cc(Br)cc(C)c2C1 ZINC000685534323 567282081 /nfs/dbraw/zinc/28/20/81/567282081.db2.gz UZLDDGOSLKXKFU-UHFFFAOYSA-N 0 0 377.286 3.244 10 30 GGEERN C[C@@H](C#N)CN(C(=O)Nc1ccn(-c2ccc(Br)cc2)n1)C1CC1 ZINC000455616148 567286047 /nfs/dbraw/zinc/28/60/47/567286047.db2.gz HYHIYLLBXXUHFI-LBPRGKRZSA-N 0 0 388.269 3.213 10 30 GGEERN CN(C)S(=O)(=O)c1cc(Cl)ccc1OCCCC1(C#N)CCOCC1 ZINC000499986064 567288727 /nfs/dbraw/zinc/28/87/27/567288727.db2.gz AMDHJKQBGBUREC-UHFFFAOYSA-N 0 0 386.901 3.070 10 30 GGEERN CC(C)(C)CC(=O)N1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000617194457 567290095 /nfs/dbraw/zinc/29/00/95/567290095.db2.gz HODFDNUYJOBSBN-UHFFFAOYSA-N 0 0 378.314 3.401 10 30 GGEERN Cn1c(COc2ccc(C#N)cc2I)nnc1C1CCC1 ZINC000500040827 567293056 /nfs/dbraw/zinc/29/30/56/567293056.db2.gz HRMLRBWIWAUQAU-UHFFFAOYSA-N 0 0 394.216 3.138 10 30 GGEERN CCOC(=O)C1(CC(=O)N[C@@H](C#N)c2ccc(Br)cc2)CCC1 ZINC000476051372 567293438 /nfs/dbraw/zinc/29/34/38/567293438.db2.gz PNDNJHMSKJAIOD-AWEZNQCLSA-N 0 0 379.254 3.253 10 30 GGEERN N#Cc1ccc(CN2CCC(n3cc(Br)cn3)CC2)c([N+](=O)[O-])c1 ZINC000567989715 567296271 /nfs/dbraw/zinc/29/62/71/567296271.db2.gz OGYIIMDIQQQCJF-UHFFFAOYSA-N 0 0 390.241 3.263 10 30 GGEERN N#CCN1CCC(CNC(=O)c2cc(F)c(Br)cc2Cl)CC1 ZINC000476121587 567298870 /nfs/dbraw/zinc/29/88/70/567298870.db2.gz OMSINFQZLYOQBM-UHFFFAOYSA-N 0 0 388.668 3.207 10 30 GGEERN Cc1cc(=NC(=O)N(C)Cc2ccc(Br)cc2C)[nH]n1CCC#N ZINC000434218549 567300607 /nfs/dbraw/zinc/30/06/07/567300607.db2.gz YNBQCYRRGKIRNT-UHFFFAOYSA-N 0 0 390.285 3.262 10 30 GGEERN Cc1c(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)ccc(Br)c1C#N ZINC000591862619 567301549 /nfs/dbraw/zinc/30/15/49/567301549.db2.gz LDGGBAIBZDSJMR-CJNGLKHVSA-N 0 0 394.294 3.022 10 30 GGEERN Cc1c(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)ccc(Br)c1C#N ZINC000591862622 567301765 /nfs/dbraw/zinc/30/17/65/567301765.db2.gz LDGGBAIBZDSJMR-CZUORRHYSA-N 0 0 394.294 3.022 10 30 GGEERN C=CCCC1(CNC(=O)c2ccc(CCNS(C)(=O)=O)s2)CCCC1 ZINC000617416330 567307995 /nfs/dbraw/zinc/30/79/95/567307995.db2.gz LKAZKHAXRUPALQ-UHFFFAOYSA-N 0 0 384.567 3.096 10 30 GGEERN N#CCc1ccc(CS(=O)(=O)NCCSCc2ccccc2F)cc1 ZINC000592012488 567308202 /nfs/dbraw/zinc/30/82/02/567308202.db2.gz KYUPVPSAPQRHLA-UHFFFAOYSA-N 0 0 378.494 3.245 10 30 GGEERN COC(=O)c1cc(NC(=O)c2ncc(C#N)cc2Cl)ccc1Br ZINC000548380327 567311000 /nfs/dbraw/zinc/31/10/00/567311000.db2.gz PJSMNNDZSBCGQD-UHFFFAOYSA-N 0 0 394.612 3.408 10 30 GGEERN N#Cc1cnccc1CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000592060528 567311691 /nfs/dbraw/zinc/31/16/91/567311691.db2.gz SIFOAVDBRJWDQX-UHFFFAOYSA-N 0 0 375.259 3.218 10 30 GGEERN Cn1cc(Br)c2ccc(S(=O)(=O)N3CCC[C@@](C)(C#N)C3)cc21 ZINC000592046131 567311886 /nfs/dbraw/zinc/31/18/86/567311886.db2.gz PJUCHVNJLVXALA-INIZCTEOSA-N 0 0 396.310 3.255 10 30 GGEERN N#Cc1cnccc1CN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000592088712 567312971 /nfs/dbraw/zinc/31/29/71/567312971.db2.gz AKTZABYCQIQTAV-IBGZPJMESA-N 0 0 396.292 3.098 10 30 GGEERN CC1(CC(F)F)CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000592073137 567313101 /nfs/dbraw/zinc/31/31/01/567313101.db2.gz BQCRJYUAGIZYHE-UHFFFAOYSA-N 0 0 397.216 3.126 10 30 GGEERN COc1ccc(Br)cc1C1(NS(=O)(=O)CCCCC#N)CC1 ZINC000592067527 567313345 /nfs/dbraw/zinc/31/33/45/567313345.db2.gz YXZRYJGDTYYSHC-UHFFFAOYSA-N 0 0 387.299 3.060 10 30 GGEERN CCCCN([C@@H]1CCc2ncsc2C1)S(=O)(=O)c1cccc(C#N)c1 ZINC000592108248 567315033 /nfs/dbraw/zinc/31/50/33/567315033.db2.gz LHAXHZNYGUWEOS-OAHLLOKOSA-N 0 0 375.519 3.363 10 30 GGEERN CCCCN([C@H]1CCc2ncsc2C1)S(=O)(=O)c1ccc(C#N)s1 ZINC000592109145 567315308 /nfs/dbraw/zinc/31/53/08/567315308.db2.gz VCASOGQWHHPPOR-LBPRGKRZSA-N 0 0 381.548 3.425 10 30 GGEERN C[C@H](NC(=O)c1ccnc(C#N)c1)c1nc(-c2ccc(Br)cc2)no1 ZINC000476335384 567316061 /nfs/dbraw/zinc/31/60/61/567316061.db2.gz TZPZPJFDCWRLRZ-JTQLQIEISA-N 0 0 398.220 3.257 10 30 GGEERN COc1ccccc1[C@@]1(C)C[C@H]1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476337136 567316096 /nfs/dbraw/zinc/31/60/96/567316096.db2.gz JWWAPKTVMNOQEA-QZTJIDSGSA-N 0 0 376.865 3.229 10 30 GGEERN CCN(C[C@H](C)C#N)C(=O)CNC1(c2cc(Br)ccc2OC)CC1 ZINC000592137626 567316059 /nfs/dbraw/zinc/31/60/59/567316059.db2.gz MUGMUCOHNPRJNH-CYBMUJFWSA-N 0 0 394.313 3.045 10 30 GGEERN C[C@H](NC(=O)Nc1ccc(F)cc1OCC(F)(F)F)[C@@H](O)C(F)(F)F ZINC000639678117 567316261 /nfs/dbraw/zinc/31/62/61/567316261.db2.gz FMTVUPWCTPERMS-QUBYGPBYSA-N 0 0 378.244 3.200 10 30 GGEERN N#Cc1cc(Br)ccc1CN1CCC[C@@H](CO)[C@H]1C(F)(F)F ZINC000592129689 567316310 /nfs/dbraw/zinc/31/63/10/567316310.db2.gz ZVHXLSWSTLLNIS-FZMZJTMJSA-N 0 0 377.204 3.456 10 30 GGEERN N#CC1(CS(=O)(=O)N2CCO[C@H](c3c(F)cccc3Cl)C2)CCCC1 ZINC000592115722 567316527 /nfs/dbraw/zinc/31/65/27/567316527.db2.gz AZYXAIXVEJTWFS-HNNXBMFYSA-N 0 0 386.876 3.266 10 30 GGEERN COC(=O)C[C@](C)(NCc1ccncc1C#N)c1ccc(Br)cc1 ZINC000592123294 567316673 /nfs/dbraw/zinc/31/66/73/567316673.db2.gz SHUCGYRFJRCAPG-SFHVURJKSA-N 0 0 388.265 3.284 10 30 GGEERN CC(C)(C)OC(=O)[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000592114969 567316748 /nfs/dbraw/zinc/31/67/48/567316748.db2.gz ATNXOVTXMHAROS-NEPJUHHUSA-N 0 0 384.885 3.000 10 30 GGEERN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)Cc1ccncc1C#N ZINC000592120216 567316762 /nfs/dbraw/zinc/31/67/62/567316762.db2.gz DVUPSTOLXLBDFC-UHFFFAOYSA-N 0 0 377.275 3.398 10 30 GGEERN N#Cc1cnccc1N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000548490406 567320546 /nfs/dbraw/zinc/32/05/46/567320546.db2.gz QPNXHPVZOYSKPZ-UHFFFAOYSA-N 0 0 375.245 3.177 10 30 GGEERN C[C@@H]([C@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476409257 567321838 /nfs/dbraw/zinc/32/18/38/567321838.db2.gz KDPPSHQPTRKXHH-YVEFUNNKSA-N 0 0 376.865 3.224 10 30 GGEERN N#Cc1ccsc1NC(=O)CN1CCO[C@@H](c2c(F)cccc2Cl)C1 ZINC000592206149 567322391 /nfs/dbraw/zinc/32/23/91/567322391.db2.gz VEXXUDXIMASVDH-CQSZACIVSA-N 0 0 379.844 3.424 10 30 GGEERN COCCCOc1ccc(Cl)cc1S(=O)(=O)N(C[C@H](C)C#N)C1CC1 ZINC000476426122 567323485 /nfs/dbraw/zinc/32/34/85/567323485.db2.gz XEZRBOPVDMOIMB-CYBMUJFWSA-N 0 0 386.901 3.068 10 30 GGEERN CO[C@@H](CS(=O)(=O)Nc1ccc(Br)c(C#N)c1C)C(C)C ZINC000592353972 567332839 /nfs/dbraw/zinc/33/28/39/567332839.db2.gz XVVMAEQJWDMNFW-AWEZNQCLSA-N 0 0 375.288 3.042 10 30 GGEERN CC(C)[C@H](CC(F)(F)F)NC(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000527345032 567333609 /nfs/dbraw/zinc/33/36/09/567333609.db2.gz IRUJCMGHJUDNTF-JTQLQIEISA-N 0 0 381.336 3.191 10 30 GGEERN C=CCOCCCNC(=O)N[C@H](C)[C@H](OC)c1ccc(Br)cc1 ZINC000660987154 567338245 /nfs/dbraw/zinc/33/82/45/567338245.db2.gz RAZHGBKYKOLCIF-CJNGLKHVSA-N 0 0 385.302 3.417 10 30 GGEERN N#Cc1cc(Br)ccc1C(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000456083499 567338295 /nfs/dbraw/zinc/33/82/95/567338295.db2.gz BIDMWRNICJVKQG-GVDBMIGSSA-N 0 0 377.282 3.476 10 30 GGEERN N#Cc1cc(Br)c(OCC2(O)CCOCC2)c(Br)c1 ZINC000592446766 567339518 /nfs/dbraw/zinc/33/95/18/567339518.db2.gz VPVWAVMGVFAGLP-UHFFFAOYSA-N 0 0 391.059 3.004 10 30 GGEERN N#Cc1cc(Br)c(OC[C@H](O)C(F)(F)F)c(Br)c1 ZINC000592446740 567339712 /nfs/dbraw/zinc/33/97/12/567339712.db2.gz SXHZSYAKYOOACX-QMMMGPOBSA-N 0 0 388.965 3.385 10 30 GGEERN C[C@@H](CCc1ccc(I)cc1)CC(=O)NC1(C#N)CC1 ZINC000592609057 567349001 /nfs/dbraw/zinc/34/90/01/567349001.db2.gz CZOHYGBDYQTSIV-LBPRGKRZSA-N 0 0 382.245 3.422 10 30 GGEERN Cc1c(C#N)c(NC(=O)CSCc2ccc(Br)cc2F)nn1C ZINC000592644994 567352447 /nfs/dbraw/zinc/35/24/47/567352447.db2.gz BDRRTQIHKLZPDR-UHFFFAOYSA-N 0 0 397.273 3.374 10 30 GGEERN Cc1c(C#N)c(NC(=O)CSc2ccc(Br)cc2C)nn1C ZINC000592647585 567352713 /nfs/dbraw/zinc/35/27/13/567352713.db2.gz RTGBCAUCBPANKF-UHFFFAOYSA-N 0 0 379.283 3.402 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC000568755958 567353696 /nfs/dbraw/zinc/35/36/96/567353696.db2.gz VRKKOFPIMAKERS-HUBLWGQQSA-N 0 0 383.286 3.409 10 30 GGEERN C=CCCCC(=O)Nc1nc(CN2CCN(c3nccs3)CC2)cs1 ZINC000435293697 567354997 /nfs/dbraw/zinc/35/49/97/567354997.db2.gz BUOJDONOKIRMPA-UHFFFAOYSA-N 0 0 377.539 3.217 10 30 GGEERN C[C@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1ccccn1 ZINC000592746356 567359678 /nfs/dbraw/zinc/35/96/78/567359678.db2.gz WUIGDXWLSZFMCI-LBPRGKRZSA-N 0 0 385.265 3.029 10 30 GGEERN CCN(Cc1ccccn1)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592771980 567361978 /nfs/dbraw/zinc/36/19/78/567361978.db2.gz KFBVDSHBTFAIMQ-UHFFFAOYSA-N 0 0 399.292 3.201 10 30 GGEERN Cc1nc(C)c(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)s1 ZINC000592771502 567362162 /nfs/dbraw/zinc/36/21/62/567362162.db2.gz FSDKSKKITSAFKF-UHFFFAOYSA-N 0 0 391.294 3.469 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCc3cccc(Br)c3C2)s1 ZINC000435427468 567362467 /nfs/dbraw/zinc/36/24/67/567362467.db2.gz MVAPEXGHWWPGLS-UHFFFAOYSA-N 0 0 383.292 3.129 10 30 GGEERN CCc1cnccc1CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592786273 567362512 /nfs/dbraw/zinc/36/25/12/567362512.db2.gz ATINLIFROQQFND-UHFFFAOYSA-N 0 0 399.292 3.031 10 30 GGEERN CC[C@@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1ccncc1 ZINC000592770129 567362565 /nfs/dbraw/zinc/36/25/65/567362565.db2.gz SCJDTANFRANMFX-QGZVFWFLSA-N 0 0 399.292 3.419 10 30 GGEERN N#Cc1ccc(CN2CC[C@@H](NCc3ccsc3Br)C2=O)cc1 ZINC000527698784 567363129 /nfs/dbraw/zinc/36/31/29/567363129.db2.gz DIIRYRPCJQOEPQ-OAHLLOKOSA-N 0 0 390.306 3.273 10 30 GGEERN C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000661272751 567363201 /nfs/dbraw/zinc/36/32/01/567363201.db2.gz XQMNDQMLCPPUMH-KFWWJZLASA-N 0 0 383.311 3.380 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCN(CC(F)(F)F)c3ccccc32)s1 ZINC000435428809 567363407 /nfs/dbraw/zinc/36/34/07/567363407.db2.gz SXDUYWJFDHMIHY-UHFFFAOYSA-N 0 0 387.408 3.197 10 30 GGEERN CC(F)(F)CCCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592803463 567363715 /nfs/dbraw/zinc/36/37/15/567363715.db2.gz BQQBNPIGRHZRLT-UHFFFAOYSA-N 0 0 386.240 3.309 10 30 GGEERN C[C@@H](CCc1ccc(I)cc1)CC(=O)N1CC(C#N)C1 ZINC000592801138 567364013 /nfs/dbraw/zinc/36/40/13/567364013.db2.gz SECZYMJDQCTKSA-LBPRGKRZSA-N 0 0 382.245 3.232 10 30 GGEERN C=CCC1(NC(=O)c2ccc(-n3cc(Br)cn3)nn2)CCCCC1 ZINC000456362222 567365154 /nfs/dbraw/zinc/36/51/54/567365154.db2.gz HBXUIVVMTIPJJE-UHFFFAOYSA-N 0 0 390.285 3.434 10 30 GGEERN CCn1c(CNC(=O)c2ccnc(C#N)c2)nc2cc(Br)ccc21 ZINC000477027834 567365582 /nfs/dbraw/zinc/36/55/82/567365582.db2.gz WHOUOKSHTQOLMW-UHFFFAOYSA-N 0 0 384.237 3.015 10 30 GGEERN C[C@@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)CC(F)F ZINC000592826795 567366586 /nfs/dbraw/zinc/36/65/86/567366586.db2.gz VQMMLVKKYDRUES-SNVBAGLBSA-N 0 0 386.240 3.164 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000661336574 567367519 /nfs/dbraw/zinc/36/75/19/567367519.db2.gz NMTHWTYLIAMJID-GUYCJALGSA-N 0 0 384.307 3.416 10 30 GGEERN Cc1ccc(C)c([C@H]2CN(S(=O)(=O)c3ccc(C#N)s3)[C@@H](C)CO2)c1 ZINC000435440243 567367851 /nfs/dbraw/zinc/36/78/51/567367851.db2.gz UXUIIRRVSNHRLO-WMLDXEAASA-N 0 0 376.503 3.387 10 30 GGEERN COc1ccc(CC2CCN(S(=O)(=O)c3ccc(C#N)s3)CC2)cc1 ZINC000435440468 567368459 /nfs/dbraw/zinc/36/84/59/567368459.db2.gz WYBDNONLVNPBOQ-UHFFFAOYSA-N 0 0 376.503 3.272 10 30 GGEERN N#Cc1ncccc1OCCCOc1cccc(I)c1 ZINC000477076593 567369951 /nfs/dbraw/zinc/36/99/51/567369951.db2.gz KXIKGRVUNDQXSO-UHFFFAOYSA-N 0 0 380.185 3.406 10 30 GGEERN N#Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(I)cc2)[nH]1 ZINC000501170658 567370678 /nfs/dbraw/zinc/37/06/78/567370678.db2.gz CBDWJCZKQZESPS-OAHLLOKOSA-N 0 0 391.212 3.468 10 30 GGEERN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000661419779 567372672 /nfs/dbraw/zinc/37/26/72/567372672.db2.gz QPJVNVYHYACUKE-UHOFOFEASA-N 0 0 394.313 3.410 10 30 GGEERN N#Cc1cc(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)ccn1 ZINC000477140500 567373735 /nfs/dbraw/zinc/37/37/35/567373735.db2.gz JZXQARPIMCNOON-UHFFFAOYSA-N 0 0 399.248 3.204 10 30 GGEERN N#Cc1ccc(C(=O)NCc2ccc(I)c(Cl)c2)cn1 ZINC000501222178 567373887 /nfs/dbraw/zinc/37/38/87/567373887.db2.gz JNRKDYKGMSHOMS-UHFFFAOYSA-N 0 0 397.603 3.141 10 30 GGEERN Cc1nc(NC(=O)Cc2ccc(Br)cc2C#N)nc2c1CCCC2 ZINC000593016052 567378501 /nfs/dbraw/zinc/37/85/01/567378501.db2.gz IRBIORBUHOCBCR-UHFFFAOYSA-N 0 0 385.265 3.479 10 30 GGEERN CCOC(=O)c1ccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)nc1 ZINC000549223326 567379839 /nfs/dbraw/zinc/37/98/39/567379839.db2.gz LYRSYNPRSJOKHG-HNNXBMFYSA-N 0 0 388.221 3.015 10 30 GGEERN C=C(C)C[C@H](C)C(=O)NC[C@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000456486020 567380016 /nfs/dbraw/zinc/38/00/16/567380016.db2.gz IFSFRGFLZRTCSK-DZGCQCFKSA-N 0 0 384.314 3.327 10 30 GGEERN N#Cc1cscc1C(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F ZINC000456487281 567380062 /nfs/dbraw/zinc/38/00/62/567380062.db2.gz NGBGSNYQCUGYEH-JTQLQIEISA-N 0 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/nfs/dbraw/zinc/38/63/48/567386348.db2.gz NHUDTOHOLPYEQL-UHFFFAOYSA-N 0 0 378.295 3.411 10 30 GGEERN CN1Cc2ccccc2[C@H](NC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593107623 567386654 /nfs/dbraw/zinc/38/66/54/567386654.db2.gz LDGAXQUVUWMWKG-GOSISDBHSA-N 0 0 384.277 3.166 10 30 GGEERN CN(C(=O)c1cnc2ccc(Br)cc2c1O)c1cccc(C#N)c1 ZINC000569210728 567387185 /nfs/dbraw/zinc/38/71/85/567387185.db2.gz ZNKVRMROOZTCKQ-UHFFFAOYSA-N 0 0 382.217 3.439 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CC[C@H](Cc2ccncc2)C1 ZINC000593124970 567387734 /nfs/dbraw/zinc/38/77/34/567387734.db2.gz NYKXDLSZQIBCJB-OAHLLOKOSA-N 0 0 384.277 3.349 10 30 GGEERN C[C@@]1(CNC(=O)Cc2ccc(Br)cc2C#N)CCO[C@H]1C1CC1 ZINC000593133240 567387745 /nfs/dbraw/zinc/38/77/45/567387745.db2.gz SMYBJVWILLENKR-ROUUACIJSA-N 0 0 377.282 3.185 10 30 GGEERN N#Cc1cccc2c1CN(C[C@@H](O)COc1cc(F)cc(Br)c1)C2 ZINC000593125261 567387817 /nfs/dbraw/zinc/38/78/17/567387817.db2.gz CQEIJBIQLPAXPJ-MRXNPFEDSA-N 0 0 391.240 3.215 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N[C@@]1(C#N)CCc2ccccc2C1 ZINC000593133969 567388337 /nfs/dbraw/zinc/38/83/37/567388337.db2.gz RDVDKTNDVLLPDZ-FQEVSTJZSA-N 0 0 394.272 3.431 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCOCC2(CCCC2)C1 ZINC000593135969 567388368 /nfs/dbraw/zinc/38/83/68/567388368.db2.gz PTFPXUAJTOXRBA-UHFFFAOYSA-N 0 0 377.282 3.282 10 30 GGEERN C=C(C)CN(CC)C(=O)CN1CCOC[C@@H]1c1cccc(Br)c1 ZINC000661729203 567390051 /nfs/dbraw/zinc/39/00/51/567390051.db2.gz JZLIKZBHOBHTOY-QGZVFWFLSA-N 0 0 381.314 3.247 10 30 GGEERN CCOC(=O)[C@H](CC)N(C(=O)Cc1ccc(Br)cc1C#N)C1CC1 ZINC000593139553 567390055 /nfs/dbraw/zinc/39/00/55/567390055.db2.gz BISCMIYRTGNSQW-INIZCTEOSA-N 0 0 393.281 3.196 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000593159703 567390775 /nfs/dbraw/zinc/39/07/75/567390775.db2.gz HZCGTPGUYFANGN-AEFFLSMTSA-N 0 0 389.293 3.423 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000593159705 567391119 /nfs/dbraw/zinc/39/11/19/567391119.db2.gz HZCGTPGUYFANGN-SJLPKXTDSA-N 0 0 389.293 3.423 10 30 GGEERN C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593152550 567391327 /nfs/dbraw/zinc/39/13/27/567391327.db2.gz AODARAVLLXUVMF-TVQRCGJNSA-N 0 0 391.187 3.041 10 30 GGEERN Cn1ccnc1[C@H]1N(C(=O)Cc2ccc(Br)cc2C#N)CC1(C)C ZINC000593167022 567392141 /nfs/dbraw/zinc/39/21/41/567392141.db2.gz XOAHAFFOGNPHQJ-MRXNPFEDSA-N 0 0 387.281 3.206 10 30 GGEERN CC(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1 ZINC000549451479 567392610 /nfs/dbraw/zinc/39/26/10/567392610.db2.gz LSNJBZSESFRFMO-HNNXBMFYSA-N 0 0 390.285 3.092 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000593165262 567392569 /nfs/dbraw/zinc/39/25/69/567392569.db2.gz AAQGVXZWYNFAKE-QZTJIDSGSA-N 0 0 375.266 3.033 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000593165261 567392641 /nfs/dbraw/zinc/39/26/41/567392641.db2.gz AAQGVXZWYNFAKE-MSOLQXFVSA-N 0 0 375.266 3.033 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000593165264 567392974 /nfs/dbraw/zinc/39/29/74/567392974.db2.gz AAQGVXZWYNFAKE-ZWKOTPCHSA-N 0 0 375.266 3.033 10 30 GGEERN C=CCOCCCNC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000661795934 567393001 /nfs/dbraw/zinc/39/30/01/567393001.db2.gz KHXCHNGRQQETFH-MRXNPFEDSA-N 0 0 383.286 3.125 10 30 GGEERN C=CCOCCCNC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000661792961 567393170 /nfs/dbraw/zinc/39/31/70/567393170.db2.gz KOAXFZARKAIQRJ-INIZCTEOSA-N 0 0 383.286 3.125 10 30 GGEERN C[C@H](NS(=O)(=O)CC1(C#N)CCC1)c1ccc(Br)cc1F ZINC000569292269 567393418 /nfs/dbraw/zinc/39/34/18/567393418.db2.gz HYPCMCXHHUUNJS-JTQLQIEISA-N 0 0 375.263 3.262 10 30 GGEERN C[C@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)CC2(CCCC2)O1 ZINC000593181055 567394098 /nfs/dbraw/zinc/39/40/98/567394098.db2.gz GFMSKJJFOFZJGJ-ZDUSSCGKSA-N 0 0 377.282 3.423 10 30 GGEERN CC[C@H](NC(=O)Cc1ccc(Br)cc1C#N)C(=O)OC(C)(C)C ZINC000593180221 567394235 /nfs/dbraw/zinc/39/42/35/567394235.db2.gz BQXZILZEGGFYOO-AWEZNQCLSA-N 0 0 381.270 3.100 10 30 GGEERN C=CCOCCCNC(=O)Cc1ccc(Br)c(Br)c1 ZINC000618515341 567395192 /nfs/dbraw/zinc/39/51/92/567395192.db2.gz VNULLYBJMMITLY-UHFFFAOYSA-N 0 0 391.103 3.463 10 30 GGEERN N#CC1(CS(=O)(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CCC1 ZINC000477477850 567396184 /nfs/dbraw/zinc/39/61/84/567396184.db2.gz RGHHDTHPZNCXJD-NSHDSACASA-N 0 0 393.456 3.365 10 30 GGEERN Cc1ccc2c(ncc(C#N)c2NC[C@@H](O)[C@@H]2CCCO2)c1Br ZINC000528134033 567396454 /nfs/dbraw/zinc/39/64/54/567396454.db2.gz FHTAIYJNDHZQOI-KGLIPLIRSA-N 0 0 376.254 3.129 10 30 GGEERN C=C(C)CS(=O)(=O)N[C@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000477469658 567396452 /nfs/dbraw/zinc/39/64/52/567396452.db2.gz PJBAPOULIWZTOM-RDJZCZTQSA-N 0 0 388.892 3.025 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCc2ccc(OC(F)F)c(F)c2)ccc1Cl ZINC000549532507 567396475 /nfs/dbraw/zinc/39/64/75/567396475.db2.gz ZOBWTBCYLNTVET-UHFFFAOYSA-N 0 0 390.770 3.431 10 30 GGEERN C=CCC[C@H](NC(=O)Cc1cc(Br)ccc1OC)C(=O)OCC ZINC000456629574 567396705 /nfs/dbraw/zinc/39/67/05/567396705.db2.gz PJZGLMWUUSCANK-AWEZNQCLSA-N 0 0 384.270 3.014 10 30 GGEERN C=CCOCCCNC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000618526028 567396567 /nfs/dbraw/zinc/39/65/67/567396567.db2.gz LILYPLSYKFFYKP-KRWDZBQOSA-N 0 0 387.307 3.076 10 30 GGEERN Cc1ccc2c(ncc(C#N)c2NC[C@H](O)[C@H]2CCCO2)c1Br ZINC000528134035 567397272 /nfs/dbraw/zinc/39/72/72/567397272.db2.gz FHTAIYJNDHZQOI-UONOGXRCSA-N 0 0 376.254 3.129 10 30 GGEERN N#CC1(CNC(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CCCC1 ZINC000593217844 567399145 /nfs/dbraw/zinc/39/91/45/567399145.db2.gz MJIDQHQJDQTMDS-UHFFFAOYSA-N 0 0 388.269 3.262 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)Nc1cc2c([nH]c1=O)CCCC2 ZINC000593217731 567399398 /nfs/dbraw/zinc/39/93/98/567399398.db2.gz IKWFVYWQLFPOEH-UHFFFAOYSA-N 0 0 386.249 3.481 10 30 GGEERN N#CC1(CCCn2cnc3c(F)ccc(Br)c3c2=O)CCOCC1 ZINC000593239742 567400538 /nfs/dbraw/zinc/40/05/38/567400538.db2.gz AEAMSMQUTHSORV-UHFFFAOYSA-N 0 0 394.244 3.399 10 30 GGEERN N#Cc1ccnc(NC(=O)c2ncc(Br)cc2Br)c1 ZINC000436004582 567400969 /nfs/dbraw/zinc/40/09/69/567400969.db2.gz PFGSFZWMKVNIFA-UHFFFAOYSA-N 0 0 382.015 3.126 10 30 GGEERN COc1ccc([C@H]2NC(=O)N(CC3(C#N)CCCC3)C2=O)cc1Br ZINC000593234242 567401147 /nfs/dbraw/zinc/40/11/47/567401147.db2.gz RUWMISQITRADQV-CQSZACIVSA-N 0 0 392.253 3.135 10 30 GGEERN N#Cc1cnc2c(F)ccc(Cl)c2c1N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528220192 567402420 /nfs/dbraw/zinc/40/24/20/567402420.db2.gz WWSXJYASKIKLRL-NEPJUHHUSA-N 0 0 379.844 3.055 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N[C@H](C1CC1)C1CCOCC1 ZINC000593278486 567402575 /nfs/dbraw/zinc/40/25/75/567402575.db2.gz OMLZSQCPQINSRB-GOSISDBHSA-N 0 0 377.282 3.185 10 30 GGEERN CSc1ccc([C@H](CNS(=O)(=O)CC2(C#N)CCCC2)N(C)C)cc1 ZINC000549641169 567402836 /nfs/dbraw/zinc/40/28/36/567402836.db2.gz NRCOIEXXUSGAMW-KRWDZBQOSA-N 0 0 381.567 3.015 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528223949 567403252 /nfs/dbraw/zinc/40/32/52/567403252.db2.gz ZMBKEMYCCATMRD-PSVOKBTDSA-N 0 0 390.306 3.359 10 30 GGEERN C=CCCCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCOC1 ZINC000549640914 567403153 /nfs/dbraw/zinc/40/31/53/567403153.db2.gz MLFZMAQTDFEZLV-CYBMUJFWSA-N 0 0 394.317 3.475 10 30 GGEERN CN(c1ccc(Br)cn1)S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593279772 567403886 /nfs/dbraw/zinc/40/38/86/567403886.db2.gz XRXIUIVZOZBVDY-UHFFFAOYSA-N 0 0 394.294 3.470 10 30 GGEERN N#CC1(CS(=O)(=O)NCCCc2ccc(Br)cc2F)CCC1 ZINC000477588245 567403893 /nfs/dbraw/zinc/40/38/93/567403893.db2.gz FPDMSNATECHKDZ-UHFFFAOYSA-N 0 0 389.290 3.134 10 30 GGEERN N#Cc1cscc1C(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000456704698 567404049 /nfs/dbraw/zinc/40/40/49/567404049.db2.gz AOFLWZZGCLZMLB-NSHDSACASA-N 0 0 397.269 3.102 10 30 GGEERN CC(C)(C#N)c1ccccc1Cn1cc(Br)c2ncncc2c1=O ZINC000618644868 567404952 /nfs/dbraw/zinc/40/49/52/567404952.db2.gz LIRRFLOUPMWBHS-UHFFFAOYSA-N 0 0 383.249 3.403 10 30 GGEERN C[S@](=O)c1ccc(CC(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1 ZINC000436081554 567405460 /nfs/dbraw/zinc/40/54/60/567405460.db2.gz YKHCUNGVPLSZCV-MWTRTKDXSA-N 0 0 391.290 3.110 10 30 GGEERN C=C(C)C[C@@H](C)C(=O)NC[C@@H](CO)Cc1cc(Br)ccc1OC ZINC000456719375 567408461 /nfs/dbraw/zinc/40/84/61/567408461.db2.gz LNRAEGILYFFZOG-KGLIPLIRSA-N 0 0 384.314 3.327 10 30 GGEERN N#CC1(CNC(=O)N(CCO)Cc2cc(Br)cs2)CCCC1 ZINC000593430968 567412407 /nfs/dbraw/zinc/41/24/07/567412407.db2.gz FKKSOWONZKPGFO-UHFFFAOYSA-N 0 0 386.315 3.098 10 30 GGEERN N#CC1(CNC(=O)N[C@H](CCO)c2ccccc2Br)CCCC1 ZINC000593428931 567412565 /nfs/dbraw/zinc/41/25/65/567412565.db2.gz RZRYQLCFLSXHDF-OAHLLOKOSA-N 0 0 380.286 3.256 10 30 GGEERN C=CCN(C(=O)CSCc1ccccn1)c1nc(C(=O)OCC)cs1 ZINC000501946906 567413439 /nfs/dbraw/zinc/41/34/39/567413439.db2.gz KIFMMMLUZZQODG-UHFFFAOYSA-N 0 0 377.491 3.167 10 30 GGEERN C=CCN(C(=O)CSCc1cccnc1)c1nc(C(=O)OCC)cs1 ZINC000501949723 567413465 /nfs/dbraw/zinc/41/34/65/567413465.db2.gz NQQUTWDTNNTCMF-UHFFFAOYSA-N 0 0 377.491 3.167 10 30 GGEERN CC(C)c1noc(CCCNC(=O)Cc2ccc(Br)cc2C#N)n1 ZINC000593437653 567413791 /nfs/dbraw/zinc/41/37/91/567413791.db2.gz TXKKZFXZNYQOQD-UHFFFAOYSA-N 0 0 391.269 3.119 10 30 GGEERN Cc1nc(C)c(CCNC(=O)Cc2ccc(Br)cc2C#N)s1 ZINC000593454690 567414115 /nfs/dbraw/zinc/41/41/15/567414115.db2.gz KAPDDEVQAJNPLA-UHFFFAOYSA-N 0 0 378.295 3.296 10 30 GGEERN Cc1c(Br)cccc1C[C@H](CO)CNC(=O)c1sccc1C#N ZINC000456739873 567414164 /nfs/dbraw/zinc/41/41/64/567414164.db2.gz ZFWCEFVLSURCGY-LBPRGKRZSA-N 0 0 393.306 3.272 10 30 GGEERN N#CC1(CNC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)CCCC1 ZINC000593431102 567414197 /nfs/dbraw/zinc/41/41/97/567414197.db2.gz KEOIGUHGEHWILY-CQSZACIVSA-N 0 0 384.249 3.005 10 30 GGEERN N#Cc1ccnc(N2CCN(Cc3ccc(Br)c(F)c3F)CC2)c1 ZINC000528355315 567414784 /nfs/dbraw/zinc/41/47/84/567414784.db2.gz ZZGLNLYPSRMZPS-UHFFFAOYSA-N 0 0 393.235 3.316 10 30 GGEERN CC1(C)CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@@](C)(C(F)(F)F)O1 ZINC000549901194 567416294 /nfs/dbraw/zinc/41/62/94/567416294.db2.gz UAFRECDDWQKEGC-AWEZNQCLSA-N 0 0 396.818 3.332 10 30 GGEERN N#CC1(CNS(=O)(=O)c2cccc(Br)c2Cl)CCCC1 ZINC000593623056 567429577 /nfs/dbraw/zinc/42/95/77/567429577.db2.gz HYEKLFZGULQSDT-UHFFFAOYSA-N 0 0 377.691 3.465 10 30 GGEERN CC(=O)N(C)c1ccc(C(=O)N[C@H](C#N)c2ccccc2Br)cc1 ZINC000618833639 567416804 /nfs/dbraw/zinc/41/68/04/567416804.db2.gz GDYZLAUMMSZZOC-QGZVFWFLSA-N 0 0 386.249 3.426 10 30 GGEERN CO[C@H](C(=O)N[C@H](C#N)c1ccccc1Br)c1ccc(O)cc1 ZINC000618833670 567417047 /nfs/dbraw/zinc/41/70/47/567417047.db2.gz JRRJRHKSOFHYTH-CVEARBPZSA-N 0 0 375.222 3.223 10 30 GGEERN Cc1cnc(C2CCN(S(=O)(=O)Cc3ccc(CC#N)cc3)CC2)s1 ZINC000569599559 567417145 /nfs/dbraw/zinc/41/71/45/567417145.db2.gz CJHPMSOGNDLOCJ-UHFFFAOYSA-N 0 0 375.519 3.227 10 30 GGEERN C[C@H](O)CN(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1C#N ZINC000593481039 567417619 /nfs/dbraw/zinc/41/76/19/567417619.db2.gz BTVPOPGADVDUPX-AWEZNQCLSA-N 0 0 387.277 3.273 10 30 GGEERN N#CC[C@@H]1CC[C@H](Nc2ncnc3cc(I)sc32)C1 ZINC000593475449 567418375 /nfs/dbraw/zinc/41/83/75/567418375.db2.gz FMWXWGLGSJZVPA-IUCAKERBSA-N 0 0 384.246 3.212 10 30 GGEERN Cc1ccc2c(ncc(C#N)c2NCC[C@]2(O)CCOC2)c1Br ZINC000593494442 567419206 /nfs/dbraw/zinc/41/92/06/567419206.db2.gz DCAWCUHZYPIYST-KRWDZBQOSA-N 0 0 376.254 3.131 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000593500508 567419794 /nfs/dbraw/zinc/41/97/94/567419794.db2.gz POZYHMOCMYIVKQ-GOSISDBHSA-N 0 0 377.282 3.282 10 30 GGEERN CCCCOc1ccc(CNS(=O)(=O)c2ccsc2C#N)cc1OC ZINC000593530261 567420640 /nfs/dbraw/zinc/42/06/40/567420640.db2.gz IRJOHZQKGDPPFC-UHFFFAOYSA-N 0 0 380.491 3.286 10 30 GGEERN CC(C)[C@@H](NS(=O)(=O)c1ccsc1C#N)c1ccc2c(c1)OCCO2 ZINC000593525410 567420839 /nfs/dbraw/zinc/42/08/39/567420839.db2.gz FTXHSOYOJNDPMR-QGZVFWFLSA-N 0 0 378.475 3.067 10 30 GGEERN CN(C)[C@@H](CNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)c1cccs1 ZINC000593525464 567420960 /nfs/dbraw/zinc/42/09/60/567420960.db2.gz RHEKAAOBYFEWPD-INIZCTEOSA-N 0 0 377.535 3.130 10 30 GGEERN COC(=O)CCC1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593513238 567421026 /nfs/dbraw/zinc/42/10/26/567421026.db2.gz GDTDHWPERHIXFG-UHFFFAOYSA-N 0 0 393.281 3.055 10 30 GGEERN COc1ccccc1CC1CCN(S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593538989 567421853 /nfs/dbraw/zinc/42/18/53/567421853.db2.gz AGHONJUASUMLDY-UHFFFAOYSA-N 0 0 376.503 3.272 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N(CCCO)Cc1ccccc1 ZINC000593536183 567422121 /nfs/dbraw/zinc/42/21/21/567422121.db2.gz NKNXVZLZDMINCX-UHFFFAOYSA-N 0 0 387.277 3.274 10 30 GGEERN CCOc1c(Cl)cc(CNS(=O)(=O)c2ccsc2C#N)cc1OC ZINC000593533054 567422164 /nfs/dbraw/zinc/42/21/64/567422164.db2.gz JFKWXEHZADCTIA-UHFFFAOYSA-N 0 0 386.882 3.159 10 30 GGEERN N#Cc1sccc1S(=O)(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000593537639 567422288 /nfs/dbraw/zinc/42/22/88/567422288.db2.gz IRCGVNXWHYSMOE-GFCCVEGCSA-N 0 0 381.910 3.078 10 30 GGEERN CC[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)OC)c1ccc(Cl)s1 ZINC000593545262 567422448 /nfs/dbraw/zinc/42/24/48/567422448.db2.gz REWZGLHJKKAZQV-LBPRGKRZSA-N 0 0 398.893 3.489 10 30 GGEERN COc1ccc(CC2CCN(S(=O)(=O)c3ccsc3C#N)CC2)cc1 ZINC000593540153 567422558 /nfs/dbraw/zinc/42/25/58/567422558.db2.gz MBNZWHCFXDBENL-UHFFFAOYSA-N 0 0 376.503 3.272 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000593535415 567422647 /nfs/dbraw/zinc/42/26/47/567422647.db2.gz ZKRPCWRMXUPJQD-HTQZYQBOSA-N 0 0 392.346 3.371 10 30 GGEERN CC(C)(C)OC(=O)c1ccc(CNS(=O)(=O)c2ccsc2C#N)cc1 ZINC000593552954 567423646 /nfs/dbraw/zinc/42/36/46/567423646.db2.gz UYHRRYSOKPNUSF-UHFFFAOYSA-N 0 0 378.475 3.054 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000593549447 567423693 /nfs/dbraw/zinc/42/36/93/567423693.db2.gz IMPUXOOEHSDEQO-UHFFFAOYSA-N 0 0 376.503 3.359 10 30 GGEERN Cc1ccc([C@H]2OCCC[C@H]2CNS(=O)(=O)c2ccsc2C#N)cc1 ZINC000593552704 567423982 /nfs/dbraw/zinc/42/39/82/567423982.db2.gz HONFTZVXCKPGPD-MAUKXSAKSA-N 0 0 376.503 3.374 10 30 GGEERN N#C[C@@H](NC(=O)c1cccc(-c2nc[nH]n2)c1)c1ccc(Br)cc1 ZINC000502225582 567424091 /nfs/dbraw/zinc/42/40/91/567424091.db2.gz GLELBENTPJSSBY-OAHLLOKOSA-N 0 0 382.221 3.229 10 30 GGEERN C[C@@H](c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593557592 567424272 /nfs/dbraw/zinc/42/42/72/567424272.db2.gz SPXRPLLELPAEMO-ZDUSSCGKSA-N 0 0 395.937 3.341 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCO[C@H](Cc2ccccc2)C1 ZINC000593581768 567424966 /nfs/dbraw/zinc/42/49/66/567424966.db2.gz JLCNPKVAQLXBNA-LJQANCHMSA-N 0 0 399.288 3.333 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N1CCN(C2CC2)c2cc(Cl)ccc21 ZINC000593577795 567424974 /nfs/dbraw/zinc/42/49/74/567424974.db2.gz ASAPFPAYSJKGFW-UHFFFAOYSA-N 0 0 379.894 3.451 10 30 GGEERN CN1CC[C@@H](NS(=O)(=O)c2ccsc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000593568077 567425151 /nfs/dbraw/zinc/42/51/51/567425151.db2.gz UVWCUXNXGFPKEI-CJNGLKHVSA-N 0 0 399.900 3.136 10 30 GGEERN CN(CCOc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccsc1C#N ZINC000593581686 567425520 /nfs/dbraw/zinc/42/55/20/567425520.db2.gz JJKVTUWVXYXKML-UHFFFAOYSA-N 0 0 390.408 3.338 10 30 GGEERN COc1ccccc1[C@@H](CNS(=O)(=O)c1ccsc1C#N)OC(C)C ZINC000593578060 567425816 /nfs/dbraw/zinc/42/58/16/567425816.db2.gz JVSANBPZZQLGAC-OAHLLOKOSA-N 0 0 380.491 3.073 10 30 GGEERN Cc1ccsc1[C@H](CO)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593576689 567425922 /nfs/dbraw/zinc/42/59/22/567425922.db2.gz RPYFIAHMAHJDIO-AWEZNQCLSA-N 0 0 379.279 3.083 10 30 GGEERN CC(C)(C#N)c1ccc(S(=O)(=O)N2CCSC[C@@H]2c2nccs2)cc1 ZINC000593584453 567426599 /nfs/dbraw/zinc/42/65/99/567426599.db2.gz OMRJVZXQKHQZJR-OAHLLOKOSA-N 0 0 393.559 3.423 10 30 GGEERN Cc1c(Cl)cccc1N1CCCN(S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593592487 567426747 /nfs/dbraw/zinc/42/67/47/567426747.db2.gz KGKFFDPXWKKAGM-UHFFFAOYSA-N 0 0 395.937 3.483 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N[C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000593603532 567426781 /nfs/dbraw/zinc/42/67/81/567426781.db2.gz VSEOKPHZJYGMFV-GFCCVEGCSA-N 0 0 390.408 3.041 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000593602819 567426813 /nfs/dbraw/zinc/42/68/13/567426813.db2.gz YENOJDVKUPCZCW-CYBMUJFWSA-N 0 0 377.447 3.096 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N1CCN(C2CC2)c2ccc(Cl)cc21 ZINC000593584490 567426895 /nfs/dbraw/zinc/42/68/95/567426895.db2.gz OSKSWGSRWVYWLJ-UHFFFAOYSA-N 0 0 379.894 3.451 10 30 GGEERN Cc1ccc(CN(CCO)C(=O)Cc2ccc(Br)cc2C#N)cc1 ZINC000593595346 567426968 /nfs/dbraw/zinc/42/69/68/567426968.db2.gz OHOKCSWUVIKKMD-UHFFFAOYSA-N 0 0 387.277 3.193 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@@H]1C1CCOCC1 ZINC000593583835 567427175 /nfs/dbraw/zinc/42/71/75/567427175.db2.gz ZEISFKUSAAIXNQ-QGZVFWFLSA-N 0 0 377.282 3.281 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N[C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000593603533 567427251 /nfs/dbraw/zinc/42/72/51/567427251.db2.gz VSEOKPHZJYGMFV-LBPRGKRZSA-N 0 0 390.408 3.041 10 30 GGEERN CC[C@@H](COCC(F)(F)F)NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593603283 567427308 /nfs/dbraw/zinc/42/73/08/567427308.db2.gz KQTSCFPKDDUSDL-ZDUSSCGKSA-N 0 0 378.416 3.124 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@H]1C1CCOCC1 ZINC000593583834 567427359 /nfs/dbraw/zinc/42/73/59/567427359.db2.gz ZEISFKUSAAIXNQ-KRWDZBQOSA-N 0 0 377.282 3.281 10 30 GGEERN N#CC1(CNS(=O)(=O)c2cc(Br)c(F)cc2F)CCCC1 ZINC000593619605 567427881 /nfs/dbraw/zinc/42/78/81/567427881.db2.gz DJUKWAQZRCEMPQ-UHFFFAOYSA-N 0 0 379.226 3.090 10 30 GGEERN N#Cc1ncccc1S(=O)(=O)NC1(c2ccccc2Br)CCC1 ZINC000593616466 567428211 /nfs/dbraw/zinc/42/82/11/567428211.db2.gz LIGLUUQHBLXNIQ-UHFFFAOYSA-N 0 0 392.278 3.073 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NC2(c3ccccc3Br)CCC2)cn1 ZINC000593617516 567428504 /nfs/dbraw/zinc/42/85/04/567428504.db2.gz XPXCSLHRGTYDKW-UHFFFAOYSA-N 0 0 392.278 3.073 10 30 GGEERN CCCCN([C@H]1CCc2ncsc2C1)S(=O)(=O)c1ccsc1C#N ZINC000593614519 567428520 /nfs/dbraw/zinc/42/85/20/567428520.db2.gz ZGRGZTINAWQOFX-LBPRGKRZSA-N 0 0 381.548 3.425 10 30 GGEERN C[C@]1(Br)C[C@H]1C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 ZINC000528489274 567429035 /nfs/dbraw/zinc/42/90/35/567429035.db2.gz HNSHGIFMQJGJOC-GVXVVHGQSA-N 0 0 377.160 3.440 10 30 GGEERN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000593621710 567429513 /nfs/dbraw/zinc/42/95/13/567429513.db2.gz QDYCZXYCQCOWOI-BXUZGUMPSA-N 0 0 384.885 3.095 10 30 GGEERN N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC3(CC2)C(F)(F)C3(F)F)c1 ZINC000593626765 567429550 /nfs/dbraw/zinc/42/95/50/567429550.db2.gz JHEASUFBFZGAOZ-UHFFFAOYSA-N 0 0 382.766 3.267 10 30 GGEERN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)NCC1(C#N)CCCC1 ZINC000593623398 567430105 /nfs/dbraw/zinc/43/01/05/567430105.db2.gz JSCIPXARGUBKAG-CYBMUJFWSA-N 0 0 386.901 3.116 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CC3(CC3)c3ccc(Br)cc32)o1 ZINC000528497071 567430254 /nfs/dbraw/zinc/43/02/54/567430254.db2.gz INZWZSCICAUSHR-UHFFFAOYSA-N 0 0 379.235 3.154 10 30 GGEERN C[C@](O)(CNC(=O)Cc1ccc(Br)cc1C#N)C1CCCCC1 ZINC000593645940 567431266 /nfs/dbraw/zinc/43/12/66/567431266.db2.gz DCHQZCKOJHULIL-SFHVURJKSA-N 0 0 379.298 3.311 10 30 GGEERN CC1(C)CCC[C@](O)(CNC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593641129 567431588 /nfs/dbraw/zinc/43/15/88/567431588.db2.gz XLPZWMKXMOCCDB-GOSISDBHSA-N 0 0 379.298 3.311 10 30 GGEERN N#CC1(CNCc2ccc(Br)cc2N2CCOCC2)CCCC1 ZINC000593655124 567432476 /nfs/dbraw/zinc/43/24/76/567432476.db2.gz XJQVFZCGPLZIHE-UHFFFAOYSA-N 0 0 378.314 3.459 10 30 GGEERN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNCC1(C#N)CCCC1 ZINC000593654619 567432647 /nfs/dbraw/zinc/43/26/47/567432647.db2.gz LDFSRCPWMDRCPU-CYBMUJFWSA-N 0 0 394.313 3.136 10 30 GGEERN CCCN1CCCN(c2c(C#N)cnc3c(Br)cccc32)CC1=O ZINC000569789305 567432981 /nfs/dbraw/zinc/43/29/81/567432981.db2.gz OFOBXJOYUMDDMG-UHFFFAOYSA-N 0 0 387.281 3.318 10 30 GGEERN COc1ccc(Cl)c2c1CCC[C@@H]2N(C)S(=O)(=O)N(C)[C@H](C)CC#N ZINC000593660174 567433409 /nfs/dbraw/zinc/43/34/09/567433409.db2.gz COPBQJZRLDAGEA-DOMZBBRYSA-N 0 0 385.917 3.137 10 30 GGEERN Cc1cc(CN(Cc2cc(C#N)cs2)C2CC2)cc(S(N)(=O)=O)c1C ZINC000593670358 567433538 /nfs/dbraw/zinc/43/35/38/567433538.db2.gz KQYXRGOXSDJUBI-UHFFFAOYSA-N 0 0 375.519 3.049 10 30 GGEERN N#CC1(CNC(=O)C(=O)Nc2cccc(Br)c2Cl)CCCC1 ZINC000593674652 567434162 /nfs/dbraw/zinc/43/41/62/567434162.db2.gz BIQJSJVDHXTDBM-UHFFFAOYSA-N 0 0 384.661 3.241 10 30 GGEERN N#CC1(CNC(=O)C(=O)Nc2cccc(Cl)c2Br)CCCC1 ZINC000593674167 567434205 /nfs/dbraw/zinc/43/42/05/567434205.db2.gz TULZDKUFIAJEOP-UHFFFAOYSA-N 0 0 384.661 3.241 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NC[C@H](CO)CC1CCCC1 ZINC000593678264 567434265 /nfs/dbraw/zinc/43/42/65/567434265.db2.gz BYGAMDXKHPSLPQ-CQSZACIVSA-N 0 0 379.298 3.168 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NC[C@@H](CO)CC1CCCC1 ZINC000593678263 567434636 /nfs/dbraw/zinc/43/46/36/567434636.db2.gz BYGAMDXKHPSLPQ-AWEZNQCLSA-N 0 0 379.298 3.168 10 30 GGEERN C=CCNS(=O)(=O)c1ccccc1N[C@H]1CCOC2(CCSCC2)C1 ZINC000641448635 567436108 /nfs/dbraw/zinc/43/61/08/567436108.db2.gz IJDPTWWBOSLEHW-HNNXBMFYSA-N 0 0 382.551 3.008 10 30 GGEERN Cc1n[nH]cc1C1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593690810 567436204 /nfs/dbraw/zinc/43/62/04/567436204.db2.gz ZKFJIRDUHPUNNB-UHFFFAOYSA-N 0 0 387.281 3.301 10 30 GGEERN N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)c1 ZINC000528554699 567437694 /nfs/dbraw/zinc/43/76/94/567437694.db2.gz KCAXAJWRLBNSMX-BMGDILEWSA-N 0 0 376.840 3.108 10 30 GGEERN CC(C)(CNC(=O)Cc1ccc(Br)cc1C#N)C1(O)CCCC1 ZINC000593737202 567437675 /nfs/dbraw/zinc/43/76/75/567437675.db2.gz DUTGGODZJYSVPJ-UHFFFAOYSA-N 0 0 379.298 3.311 10 30 GGEERN C[C@@H](CN(C)C(=O)Cc1ccc(Br)cc1C#N)C(=O)OC(C)(C)C ZINC000593740078 567437693 /nfs/dbraw/zinc/43/76/93/567437693.db2.gz OUKYLKHHOBBIDH-LBPRGKRZSA-N 0 0 395.297 3.299 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NC[C@@H](CO)C1CCCCC1 ZINC000593731338 567437877 /nfs/dbraw/zinc/43/78/77/567437877.db2.gz WVRCQCSNMQZIQD-INIZCTEOSA-N 0 0 379.298 3.168 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NC[C@H](CO)C1CCCCC1 ZINC000593731339 567437905 /nfs/dbraw/zinc/43/79/05/567437905.db2.gz WVRCQCSNMQZIQD-MRXNPFEDSA-N 0 0 379.298 3.168 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000593743215 567437913 /nfs/dbraw/zinc/43/79/13/567437913.db2.gz DIAZGTNFYOIXSM-QZTJIDSGSA-N 0 0 385.261 3.198 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000593753167 567439293 /nfs/dbraw/zinc/43/92/93/567439293.db2.gz QXSJSQCCWUBJRT-RHSMWYFYSA-N 0 0 377.282 3.281 10 30 GGEERN N#CC1(CNC(=O)c2ncc(Br)cc2Br)CCCC1 ZINC000593773256 567439516 /nfs/dbraw/zinc/43/95/16/567439516.db2.gz FPNRAJVDWWGOSS-UHFFFAOYSA-N 0 0 387.075 3.420 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@H]1[C@@H]1CCCOC1 ZINC000593753166 567439553 /nfs/dbraw/zinc/43/95/53/567439553.db2.gz QXSJSQCCWUBJRT-PBHICJAKSA-N 0 0 377.282 3.281 10 30 GGEERN N#CC1(CNC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CCCC1 ZINC000593779392 567440192 /nfs/dbraw/zinc/44/01/92/567440192.db2.gz IZTNOCOLIQELFC-ZDUSSCGKSA-N 0 0 390.281 3.002 10 30 GGEERN N#Cc1cc(Cl)c(C(=O)NC[C@]2(CO)CCc3ccccc32)c(Cl)c1 ZINC000593776587 567440523 /nfs/dbraw/zinc/44/05/23/567440523.db2.gz JUJXWVDTBDOHTL-IBGZPJMESA-N 0 0 375.255 3.471 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCCC(F)(F)C2)C1 ZINC000593789137 567440572 /nfs/dbraw/zinc/44/05/72/567440572.db2.gz AZPFOYUITGPPSU-UHFFFAOYSA-N 0 0 384.224 3.015 10 30 GGEERN CC(=O)N[C@@H](CC(=O)NCC1(C#N)CCCC1)c1ccc(Br)cc1 ZINC000593781501 567440923 /nfs/dbraw/zinc/44/09/23/567440923.db2.gz HEYDOAUFXLWONS-INIZCTEOSA-N 0 0 392.297 3.217 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCc2ccc(O)cc2CC1 ZINC000593893834 567446017 /nfs/dbraw/zinc/44/60/17/567446017.db2.gz ZPXZQPOTMHYIBN-UHFFFAOYSA-N 0 0 385.261 3.196 10 30 GGEERN CNc1cc(I)ccc1C(=O)NCC1(C#N)CCCC1 ZINC000593897467 567446561 /nfs/dbraw/zinc/44/65/61/567446561.db2.gz HNYNFZFDIGVLPY-UHFFFAOYSA-N 0 0 383.233 3.147 10 30 GGEERN C=CCNS(=O)(=O)c1ccccc1N1CCC2(CC1)C(F)(F)C2(F)F ZINC000641651008 567446797 /nfs/dbraw/zinc/44/67/97/567446797.db2.gz YLQVFUGYXMGAAG-UHFFFAOYSA-N 0 0 378.391 3.022 10 30 GGEERN C=CCCn1cc(C[S@@](=O)[C@H](C)C(=O)Nc2cc(Cl)ccc2C)nn1 ZINC000593937981 567447598 /nfs/dbraw/zinc/44/75/98/567447598.db2.gz FOZMNQVVYDEEMU-YMXBGEKHSA-N 0 0 380.901 3.092 10 30 GGEERN C=CCCn1cc(C[S@@](=O)CC(=O)Nc2ccc(Cl)cc2Cl)nn1 ZINC000593938570 567447737 /nfs/dbraw/zinc/44/77/37/567447737.db2.gz NFFOVTDJACHQET-XMMPIXPASA-N 0 0 387.292 3.048 10 30 GGEERN C=CCCn1cc(C[S@@](=O)Cc2nc(-c3cccc(Cl)c3)no2)nn1 ZINC000593937158 567447986 /nfs/dbraw/zinc/44/79/86/567447986.db2.gz OOCZVOKEYNTRHE-RUZDIDTESA-N 0 0 377.857 3.007 10 30 GGEERN C=CCCn1cc(C[S@@](=O)[C@@H](C)C(=O)Nc2ccc(Cl)cc2C)nn1 ZINC000593943317 567449373 /nfs/dbraw/zinc/44/93/73/567449373.db2.gz XEQNONSFBRPLBF-ZJWNCGCPSA-N 0 0 380.901 3.092 10 30 GGEERN N#Cc1cscc1C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000550488951 567450087 /nfs/dbraw/zinc/45/00/87/567450087.db2.gz AFAXHAXWNPBKPO-QGZVFWFLSA-N 0 0 375.881 3.076 10 30 GGEERN N#CC1(CS(=O)(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)CCC1 ZINC000570009229 567450984 /nfs/dbraw/zinc/45/09/84/567450984.db2.gz STDHGELHUAKFED-KRWDZBQOSA-N 0 0 381.929 3.090 10 30 GGEERN N#CCCCCC(=O)Nc1cc(-c2ccc(Br)cc2)nn1CCO ZINC000593975538 567450833 /nfs/dbraw/zinc/45/08/33/567450833.db2.gz CDUANESINSMRIY-UHFFFAOYSA-N 0 0 391.269 3.327 10 30 GGEERN N#CCCCCC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000593993627 567451181 /nfs/dbraw/zinc/45/11/81/567451181.db2.gz OBKCDGMWWKRXPZ-UHFFFAOYSA-N 0 0 382.277 3.316 10 30 GGEERN CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)CCCCC#N ZINC000594014751 567451972 /nfs/dbraw/zinc/45/19/72/567451972.db2.gz ZXMMWBDWKPGXQD-UHFFFAOYSA-N 0 0 376.258 3.072 10 30 GGEERN Cc1cc(N2CC[C@H](NC(=O)CCCCC#N)C2=O)ccc1Br ZINC000594008148 567452370 /nfs/dbraw/zinc/45/23/70/567452370.db2.gz NBDWXTJPOXNZLQ-HNNXBMFYSA-N 0 0 378.270 3.063 10 30 GGEERN COC(=O)C[C@@](C)(NC(=O)CCCCC#N)c1ccc(Br)cc1 ZINC000594010741 567452853 /nfs/dbraw/zinc/45/28/53/567452853.db2.gz RMDFNSWAQFJAHX-QGZVFWFLSA-N 0 0 381.270 3.428 10 30 GGEERN CN(C)S(=O)(=O)c1ccc(CNC2(c3ccc(C#N)cc3)CCC2)s1 ZINC000594036199 567454279 /nfs/dbraw/zinc/45/42/79/567454279.db2.gz ZTBZHYBZAVRHEO-UHFFFAOYSA-N 0 0 375.519 3.039 10 30 GGEERN C=CC[C@H](CO)NC(=O)c1cc(Br)c(CC)c(Br)c1 ZINC000502820793 567455050 /nfs/dbraw/zinc/45/50/50/567455050.db2.gz AHHVQZMRLCFVIT-SNVBAGLBSA-N 0 0 391.103 3.441 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@@H]1C1CC1 ZINC000662660312 567456412 /nfs/dbraw/zinc/45/64/12/567456412.db2.gz IACKXDQBTIWLTP-OAHLLOKOSA-N 0 0 393.281 3.353 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N[C@H](C1CC1)[C@H]1CCCCO1 ZINC000594071316 567456859 /nfs/dbraw/zinc/45/68/59/567456859.db2.gz YVRCEEMTKNZZII-SJLPKXTDSA-N 0 0 377.282 3.327 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N[C@@H](C1CC1)[C@H]1CCCCO1 ZINC000594071314 567457006 /nfs/dbraw/zinc/45/70/06/567457006.db2.gz YVRCEEMTKNZZII-AEFFLSMTSA-N 0 0 377.282 3.327 10 30 GGEERN N#Cc1ccc(OCC(=O)N[C@@H](C2CC2)[C@@H]2CCCCO2)cc1Br ZINC000594068615 567457695 /nfs/dbraw/zinc/45/76/95/567457695.db2.gz KUXJRKMFJNCFFC-WMZOPIPTSA-N 0 0 393.281 3.163 10 30 GGEERN C[C@@H](Cc1ccc(Br)cc1)NS(=O)(=O)c1cccc(CC#N)c1 ZINC000619476811 567457795 /nfs/dbraw/zinc/45/77/95/567457795.db2.gz OOSUUTNMMFFBLT-ZDUSSCGKSA-N 0 0 393.306 3.425 10 30 GGEERN C[C@H](Cc1ccc(Br)cc1)NS(=O)(=O)c1cccc(CC#N)c1 ZINC000619476810 567457817 /nfs/dbraw/zinc/45/78/17/567457817.db2.gz OOSUUTNMMFFBLT-CYBMUJFWSA-N 0 0 393.306 3.425 10 30 GGEERN N#Cc1ccc(CC(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)cn1 ZINC000528825735 567460095 /nfs/dbraw/zinc/46/00/95/567460095.db2.gz UGJKOAZQTFUWMG-OAHLLOKOSA-N 0 0 376.243 3.482 10 30 GGEERN N#Cc1ccc2c(c1)CN(C(=O)Cc1cc3c(cc1Br)OCCO3)C2 ZINC000594138946 567461924 /nfs/dbraw/zinc/46/19/24/567461924.db2.gz YVZHHLQAQXPHMC-UHFFFAOYSA-N 0 0 399.244 3.177 10 30 GGEERN CC[C@@H](NC(=O)COc1ccc(C#N)c(Br)c1)[C@H]1CCCCO1 ZINC000594173645 567463161 /nfs/dbraw/zinc/46/31/61/567463161.db2.gz CSMQUEIOUOQDNY-HZPDHXFCSA-N 0 0 381.270 3.163 10 30 GGEERN CCOC(=O)CCN(C(=O)Cc1ccc(Br)cc1C#N)C(C)C ZINC000594189369 567463483 /nfs/dbraw/zinc/46/34/83/567463483.db2.gz OALNHTBNXYERGS-UHFFFAOYSA-N 0 0 381.270 3.053 10 30 GGEERN CC[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)[C@@H]1CCCCO1 ZINC000594173644 567463605 /nfs/dbraw/zinc/46/36/05/567463605.db2.gz CSMQUEIOUOQDNY-HOTGVXAUSA-N 0 0 381.270 3.163 10 30 GGEERN N#CCCCCC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000594241892 567466210 /nfs/dbraw/zinc/46/62/10/567466210.db2.gz JLQXBUANFIDPKG-UHFFFAOYSA-N 0 0 393.285 3.105 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NC[C@H]1CCC2(CCCC2)O1 ZINC000594206728 567466530 /nfs/dbraw/zinc/46/65/30/567466530.db2.gz QMMMOBGMOWAJHJ-MRXNPFEDSA-N 0 0 377.282 3.471 10 30 GGEERN N#Cc1c(Br)cccc1OCC(=O)NC[C@H]1CCC2(CCCC2)O1 ZINC000594206985 567466665 /nfs/dbraw/zinc/46/66/65/567466665.db2.gz VLSPYXDGNHXGDZ-CYBMUJFWSA-N 0 0 393.281 3.308 10 30 GGEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCc1ccc(Br)cc1 ZINC000503130758 567469732 /nfs/dbraw/zinc/46/97/32/567469732.db2.gz JFAHTMXOLOOZFW-SFHVURJKSA-N 0 0 395.297 3.369 10 30 GGEERN Cc1cc(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)ncc1C#N ZINC000457511214 567470141 /nfs/dbraw/zinc/47/01/41/567470141.db2.gz RZAFDVDXNCADKY-QGZVFWFLSA-N 0 0 386.249 3.238 10 30 GGEERN C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](CO)c1cccc(Br)c1 ZINC000594334411 567470223 /nfs/dbraw/zinc/47/02/23/567470223.db2.gz FYVOKJMVFLTXSD-FZKQIMNGSA-N 0 0 387.277 3.349 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1N1CCC[C@@H](Cn2ccnn2)C1 ZINC000619651457 567470743 /nfs/dbraw/zinc/47/07/43/567470743.db2.gz JYNJEGRLTKXSAN-CYBMUJFWSA-N 0 0 397.280 3.377 10 30 GGEERN N#Cc1ccc(CNC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)c(F)c1 ZINC000619645173 567471315 /nfs/dbraw/zinc/47/13/15/567471315.db2.gz LNOMCCIFOYESRT-UHFFFAOYSA-N 0 0 384.169 3.398 10 30 GGEERN CCn1c(CNC(=O)NCCCCC#N)nc2cc(Br)ccc21 ZINC000478622084 567471620 /nfs/dbraw/zinc/47/16/20/567471620.db2.gz NETUCCOUFZKXNH-UHFFFAOYSA-N 0 0 378.274 3.312 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@@H](OC2CCC2)C1 ZINC000594389337 567472638 /nfs/dbraw/zinc/47/26/38/567472638.db2.gz QGLHYDBSINAAQK-QGZVFWFLSA-N 0 0 377.282 3.423 10 30 GGEERN CN(C(C)(C)C#N)S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000437922792 567515556 /nfs/dbraw/zinc/51/55/56/567515556.db2.gz OEAJPDXXPWPVPV-UHFFFAOYSA-N 0 0 385.205 3.391 10 30 GGEERN N#Cc1ccc(Cn2cnc3cc(F)c(Br)cc3c2=O)cc1F ZINC000478715113 567478149 /nfs/dbraw/zinc/47/81/49/567478149.db2.gz RFIRGWSFVYQJRK-UHFFFAOYSA-N 0 0 376.160 3.357 10 30 GGEERN N#Cc1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)nc2)cc1Cl ZINC000619753345 567478288 /nfs/dbraw/zinc/47/82/88/567478288.db2.gz XKPLHTPOAJSBBE-UHFFFAOYSA-N 0 0 375.759 3.104 10 30 GGEERN N#Cc1ccc(CNS(=O)(=O)c2cnccc2C(F)(F)F)cc1Cl ZINC000619753278 567478511 /nfs/dbraw/zinc/47/85/11/567478511.db2.gz UMTFTNCUMBRHTF-UHFFFAOYSA-N 0 0 375.759 3.104 10 30 GGEERN C[C@@]1(C#N)CCCN(S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000619751204 567479108 /nfs/dbraw/zinc/47/91/08/567479108.db2.gz MQXDVCMKKFSJBZ-ZDUSSCGKSA-N 0 0 377.691 3.417 10 30 GGEERN N#CCCCS(=O)(=O)NCC1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC000594474807 567479047 /nfs/dbraw/zinc/47/90/47/567479047.db2.gz LYOZAVYVNVUZIU-UHFFFAOYSA-N 0 0 376.400 3.230 10 30 GGEERN CCc1csc(CC2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)n1 ZINC000594475434 567479221 /nfs/dbraw/zinc/47/92/21/567479221.db2.gz VMZHTNCHYCVDDW-UHFFFAOYSA-N 0 0 381.567 3.374 10 30 GGEERN C[C@@H](C#N)CN(C(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1)C1CC1 ZINC000457656417 567481042 /nfs/dbraw/zinc/48/10/42/567481042.db2.gz CRDPKRLWEYTELO-NSHDSACASA-N 0 0 378.263 3.397 10 30 GGEERN N#Cc1cc(Cl)c(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c(Cl)c1 ZINC000619819825 567481382 /nfs/dbraw/zinc/48/13/82/567481382.db2.gz VCQFSTMUUIOUNS-LRDDRELGSA-N 0 0 383.275 3.163 10 30 GGEERN N#Cc1c(Br)cccc1S(=O)(=O)NC[C@H]1CCC2(CCCC2)O1 ZINC000594487779 567481835 /nfs/dbraw/zinc/48/18/35/567481835.db2.gz JJQHYBOVFFTZQF-GFCCVEGCSA-N 0 0 399.310 3.091 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC3(CCCC3)O2)cc1Br ZINC000594489804 567482082 /nfs/dbraw/zinc/48/20/82/567482082.db2.gz ZJKLLRBMIGUMBU-CYBMUJFWSA-N 0 0 399.310 3.091 10 30 GGEERN CC[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@H]1CCCCO1 ZINC000594488205 567482272 /nfs/dbraw/zinc/48/22/72/567482272.db2.gz QMXPKYAXRUDETB-UONOGXRCSA-N 0 0 376.400 3.203 10 30 GGEERN N#Cc1cscc1C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000478775402 567482714 /nfs/dbraw/zinc/48/27/14/567482714.db2.gz KYLZTWQPQNRASV-UHFFFAOYSA-N 0 0 390.306 3.340 10 30 GGEERN N#CCCCCc1nc(COc2ccc(I)cc2)no1 ZINC000594540725 567483084 /nfs/dbraw/zinc/48/30/84/567483084.db2.gz QWEOFIZWZHFGTI-UHFFFAOYSA-N 0 0 383.189 3.490 10 30 GGEERN N#Cc1nccc(N2CCC[C@H]2c2ccccc2I)n1 ZINC000594555723 567485151 /nfs/dbraw/zinc/48/51/51/567485151.db2.gz FDBHKPTWUIEYDF-ZDUSSCGKSA-N 0 0 376.201 3.294 10 30 GGEERN C=CCCn1cc(CNc2cc(OC)ccc2I)nn1 ZINC000594548184 567485357 /nfs/dbraw/zinc/48/53/57/567485357.db2.gz GSFOVWODUSGOIF-UHFFFAOYSA-N 0 0 384.221 3.080 10 30 GGEERN C=CCCn1cc(CNc2cc(Br)c(F)cc2C(=O)OC)nn1 ZINC000594548953 567485416 /nfs/dbraw/zinc/48/54/16/567485416.db2.gz NDSFRDMWMANCBV-UHFFFAOYSA-N 0 0 383.221 3.155 10 30 GGEERN Cc1cc(Br)c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)s1 ZINC000457715034 567485477 /nfs/dbraw/zinc/48/54/77/567485477.db2.gz UTWCMBYVHVUVOB-UHFFFAOYSA-N 0 0 391.294 3.048 10 30 GGEERN C=CCCn1cc(CNc2cc(Br)cc(C(=O)OC)c2C)nn1 ZINC000594548600 567485712 /nfs/dbraw/zinc/48/57/12/567485712.db2.gz ODUGQIZZNSPCOS-UHFFFAOYSA-N 0 0 379.258 3.324 10 30 GGEERN Cc1c(Br)cccc1CS(=O)(=O)N(CCC#N)CC(F)(F)F ZINC000594577144 567487227 /nfs/dbraw/zinc/48/72/27/567487227.db2.gz QZXNCFOPNXQFOK-UHFFFAOYSA-N 0 0 399.232 3.365 10 30 GGEERN Cc1cc(C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2O)ncc1C#N ZINC000457734114 567487187 /nfs/dbraw/zinc/48/71/87/567487187.db2.gz MWJUCGQBEWWTSE-DLBZAZTESA-N 0 0 376.243 3.299 10 30 GGEERN CN(c1cc(Br)c(C#N)cc1F)C1CCN(c2cnccn2)CC1 ZINC000594579083 567487884 /nfs/dbraw/zinc/48/78/84/567487884.db2.gz ZDOAIUZRBDAAFS-UHFFFAOYSA-N 0 0 390.260 3.355 10 30 GGEERN N#Cc1cc(F)c(N2CCn3c(CC4CC4)nnc3C2)cc1Br ZINC000594586273 567488334 /nfs/dbraw/zinc/48/83/34/567488334.db2.gz OUVWFZJYYYRSLX-UHFFFAOYSA-N 0 0 376.233 3.024 10 30 GGEERN CC[C@@H](C#N)N(C)S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000594579468 567488489 /nfs/dbraw/zinc/48/84/89/567488489.db2.gz LTOJAKKPPKQQOX-VIFPVBQESA-N 0 0 385.205 3.391 10 30 GGEERN COCCN(Cc1cc(Br)cs1)C(=O)c1cc(C)c(C#N)cn1 ZINC000457763876 567489497 /nfs/dbraw/zinc/48/94/97/567489497.db2.gz RACRLTAOTOUSLE-UHFFFAOYSA-N 0 0 394.294 3.375 10 30 GGEERN COC(=O)c1cc(NC(=O)c2ccc(F)c(C#N)c2)ccc1Br ZINC000551267353 567491732 /nfs/dbraw/zinc/49/17/32/567491732.db2.gz YDHPHGWKHLHOEN-UHFFFAOYSA-N 0 0 377.169 3.499 10 30 GGEERN C=CCCCN(C)C(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000551297489 567494665 /nfs/dbraw/zinc/49/46/65/567494665.db2.gz DWESPTHHZATDCQ-UHFFFAOYSA-N 0 0 378.416 3.217 10 30 GGEERN C[C@@]1(Br)C[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000529182612 567496196 /nfs/dbraw/zinc/49/61/96/567496196.db2.gz STFJEWWAHPBBAA-MLGOLLRUSA-N 0 0 382.689 3.034 10 30 GGEERN C=CCOC[C@H]1NC(=O)N([C@@H]2CCCCc3cc(Br)ccc32)C1=O ZINC000663329937 567498523 /nfs/dbraw/zinc/49/85/23/567498523.db2.gz DNPSDRVGZQRZMG-HZPDHXFCSA-N 0 0 393.281 3.340 10 30 GGEERN C=CCOC[C@@H]1NC(=O)N([C@H]2CCCCc3cc(Br)ccc32)C1=O ZINC000663329936 567498565 /nfs/dbraw/zinc/49/85/65/567498565.db2.gz DNPSDRVGZQRZMG-HOTGVXAUSA-N 0 0 393.281 3.340 10 30 GGEERN 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ZINC000458007356 567512198 /nfs/dbraw/zinc/51/21/98/567512198.db2.gz BRINXNXQPYNSBS-UHFFFAOYSA-N 0 0 375.213 3.149 10 30 GGEERN N#CC[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cc3cccnc32)C1 ZINC000594805506 567514477 /nfs/dbraw/zinc/51/44/77/567514477.db2.gz OLOZEDDOFLVRGF-LBPRGKRZSA-N 0 0 394.294 3.312 10 30 GGEERN N#Cc1sccc1S(=O)(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000594805115 567514652 /nfs/dbraw/zinc/51/46/52/567514652.db2.gz UNMJNJUDUCRENO-LBPRGKRZSA-N 0 0 381.910 3.078 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](CC)Cc1ccc(Br)cc1 ZINC000620337773 567514694 /nfs/dbraw/zinc/51/46/94/567514694.db2.gz FPHYOIMVYIHHAJ-IAGOWNOFSA-N 0 0 381.314 3.357 10 30 GGEERN CC[C@@H](COCC1CC1)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000594801246 567514736 /nfs/dbraw/zinc/51/47/36/567514736.db2.gz LOAXTQBXULNQLR-ZDUSSCGKSA-N 0 0 376.400 3.061 10 30 GGEERN CC1(C)C[C@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(C#N)s2)CO1 ZINC000594806742 567515128 /nfs/dbraw/zinc/51/51/28/567515128.db2.gz IGPNEUOLJIQDSY-HNNXBMFYSA-N 0 0 376.503 3.378 10 30 GGEERN CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccsc2C#N)CO1 ZINC000594806778 567515347 /nfs/dbraw/zinc/51/53/47/567515347.db2.gz JMBVYDCWRMCVQZ-OAHLLOKOSA-N 0 0 376.503 3.378 10 30 GGEERN N#CC1(CS(=O)(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)CCCC1 ZINC000594799518 567515358 /nfs/dbraw/zinc/51/53/58/567515358.db2.gz DHZNWMSJEGDFRP-HNNXBMFYSA-N 0 0 381.929 3.170 10 30 GGEERN C[C@]1(Cc2ccccc2Cl)CCCN1S(=O)(=O)c1cncc(C#N)c1 ZINC000594810061 567515858 /nfs/dbraw/zinc/51/58/58/567515858.db2.gz SVFWCWJQHYVZPU-GOSISDBHSA-N 0 0 375.881 3.393 10 30 GGEERN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCc2cccc(Br)c2C1 ZINC000437986091 567515983 /nfs/dbraw/zinc/51/59/83/567515983.db2.gz NKNSXARCTMLHPG-PBHICJAKSA-N 0 0 379.298 3.498 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)CO[C@H](C)c1nccn1C ZINC000458033809 567516103 /nfs/dbraw/zinc/51/61/03/567516103.db2.gz LHIOLZLJYRCWEZ-GFCCVEGCSA-N 0 0 394.269 3.464 10 30 GGEERN C[C@]1(Cc2ccccc2Cl)CCCN1S(=O)(=O)c1cccnc1C#N ZINC000594811345 567516785 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ZINC000620359814 567518622 /nfs/dbraw/zinc/51/86/22/567518622.db2.gz LUCCRGHTYVOIKH-UHFFFAOYSA-N 0 0 389.087 3.299 10 30 GGEERN C[C@@]1(CCNS(=O)(=O)c2cc(Br)cc(C#N)c2)CC1(F)F ZINC000594855989 567520395 /nfs/dbraw/zinc/52/03/95/567520395.db2.gz DTLAFWYDZRWJSM-GFCCVEGCSA-N 0 0 379.226 3.034 10 30 GGEERN CC1(C)CO[C@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1ccc(C#N)o1 ZINC000594856217 567520604 /nfs/dbraw/zinc/52/06/04/567520604.db2.gz FMNMABBUOJXMAL-HNNXBMFYSA-N 0 0 380.853 3.345 10 30 GGEERN C[C@]1(CCNS(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1(F)F ZINC000594857572 567520910 /nfs/dbraw/zinc/52/09/10/567520910.db2.gz MBMQOYWTHGTOLS-LBPRGKRZSA-N 0 0 397.216 3.174 10 30 GGEERN CC1(C)CO[C@H](c2cccc(F)c2)CN1S(=O)(=O)c1ccsc1C#N ZINC000594857106 567521087 /nfs/dbraw/zinc/52/10/87/567521087.db2.gz RPCOJPZUJCFGFJ-AWEZNQCLSA-N 0 0 380.466 3.300 10 30 GGEERN C[C@@]1(CCNS(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1(F)F ZINC000594857543 567521230 /nfs/dbraw/zinc/52/12/30/567521230.db2.gz MBMQOYWTHGTOLS-GFCCVEGCSA-N 0 0 397.216 3.174 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)cc1Cl ZINC000594852934 567521273 /nfs/dbraw/zinc/52/12/73/567521273.db2.gz PYSDFUUSYYDHIE-HOTGVXAUSA-N 0 0 376.865 3.063 10 30 GGEERN CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1ccc(C#N)o1 ZINC000594856218 567521329 /nfs/dbraw/zinc/52/13/29/567521329.db2.gz FMNMABBUOJXMAL-OAHLLOKOSA-N 0 0 380.853 3.345 10 30 GGEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1cc(F)cc(Br)c1 ZINC000504079765 567521613 /nfs/dbraw/zinc/52/16/13/567521613.db2.gz ZIBIKTISXSCVCZ-KRWDZBQOSA-N 0 0 399.260 3.466 10 30 GGEERN N#Cc1cc(Br)cc(S(=O)(=O)NCC2(C#N)CCCCC2)c1 ZINC000594869149 567522155 /nfs/dbraw/zinc/52/21/55/567522155.db2.gz GEMHUYSVYQQCAE-UHFFFAOYSA-N 0 0 382.283 3.073 10 30 GGEERN Cc1nc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)sc1SCC#N ZINC000504079010 567522436 /nfs/dbraw/zinc/52/24/36/567522436.db2.gz XKVMDQYYUUVSKO-INIZCTEOSA-N 0 0 380.495 3.267 10 30 GGEERN N#Cc1cccc(C2(NS(=O)(=O)c3ccc(Cl)s3)CCOCC2)c1 ZINC000594860994 567522539 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C[C@@H](NS(=O)(=O)Cc1ccc(CC#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000571161870 567542561 /nfs/dbraw/zinc/54/25/61/567542561.db2.gz YTHRODSKXRMCTQ-SNVBAGLBSA-N 0 0 389.424 3.409 10 30 GGEERN N#CC1(CNC(=O)C(=O)Nc2ccc(F)c(Br)c2)CCCCC1 ZINC000595188491 567547295 /nfs/dbraw/zinc/54/72/95/567547295.db2.gz PTZKFBBHFXJFPP-UHFFFAOYSA-N 0 0 382.233 3.117 10 30 GGEERN C=CCCC(C)(C)NC(=O)CCN1C(=O)COc2cc(Br)ccc21 ZINC000620863109 567548068 /nfs/dbraw/zinc/54/80/68/567548068.db2.gz GFBVTIVPUKIWRT-UHFFFAOYSA-N 0 0 395.297 3.426 10 30 GGEERN C=CCCC(C)(C)NC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000595232492 567550246 /nfs/dbraw/zinc/55/02/46/567550246.db2.gz RKGWIQDZOINRGK-UHFFFAOYSA-N 0 0 384.230 3.157 10 30 GGEERN N#Cc1c(F)cc(CNC(=O)COc2ccc(F)cc2Br)cc1F ZINC000552036710 567551382 /nfs/dbraw/zinc/55/13/82/567551382.db2.gz WCWVSQFOVIUQIQ-UHFFFAOYSA-N 0 0 399.166 3.433 10 30 GGEERN N#Cc1ccc(S(=O)(=O)CCc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000479664666 567551770 /nfs/dbraw/zinc/55/17/70/567551770.db2.gz 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/nfs/dbraw/zinc/56/43/30/567564330.db2.gz RDJDCRUGDVZJDA-UHFFFAOYSA-N 0 0 391.212 3.215 10 30 GGEERN N#C[C@H](NC(=O)c1ccnc(NC(=O)C2CC2)c1)c1ccc(Br)cc1 ZINC000505206530 567565521 /nfs/dbraw/zinc/56/55/21/567565521.db2.gz ADGTUXGZDQZEGS-HNNXBMFYSA-N 0 0 399.248 3.187 10 30 GGEERN C[C@]1(C#N)CCN(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000595465129 567565542 /nfs/dbraw/zinc/56/55/42/567565542.db2.gz FZQHPSJXDQPDGU-KBXCAEBGSA-N 0 0 391.313 3.221 10 30 GGEERN N#Cc1ccc(C2(NC(=O)c3cncc(Br)c3)CCOCC2)cc1 ZINC000530062371 567565949 /nfs/dbraw/zinc/56/59/49/567565949.db2.gz PDLQJAFYCJTOMI-UHFFFAOYSA-N 0 0 386.249 3.151 10 30 GGEERN N#Cc1ccc(C2(NC(=O)c3ccc(Br)cn3)CCOCC2)cc1 ZINC000530061376 567566188 /nfs/dbraw/zinc/56/61/88/567566188.db2.gz PUHKYVRJJNKSMV-UHFFFAOYSA-N 0 0 386.249 3.151 10 30 GGEERN C[C@]1(C#N)CCN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000595474453 567566377 /nfs/dbraw/zinc/56/63/77/567566377.db2.gz LSSNITRDAJQGBR-RDTXWAMCSA-N 0 0 391.313 3.221 10 30 GGEERN Cc1nsc(N2CCN(C(=O)c3cc(C)c(F)cc3Cl)CC2)c1C#N ZINC000571488362 567566655 /nfs/dbraw/zinc/56/66/55/567566655.db2.gz HJQKRMRXXPDYBG-UHFFFAOYSA-N 0 0 378.860 3.387 10 30 GGEERN N#Cc1ccc(O[C@@H]2CCN(Cc3ncc(Br)cc3Cl)C2)nc1 ZINC000595502176 567567760 /nfs/dbraw/zinc/56/77/60/567567760.db2.gz QLCGJOYUNGCFCO-CYBMUJFWSA-N 0 0 393.672 3.417 10 30 GGEERN COC(=O)c1sc2c(c1Br)CN(C(=O)NCCCCC#N)C2 ZINC000595493648 567568316 /nfs/dbraw/zinc/56/83/16/567568316.db2.gz GSPYMDJXTNLZNX-UHFFFAOYSA-N 0 0 386.271 3.016 10 30 GGEERN CO[C@H](c1ccccc1Cl)[C@H](C)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000479948127 567570481 /nfs/dbraw/zinc/57/04/81/567570481.db2.gz KEMAOYDPKQFJDW-GTNSWQLSSA-N 0 0 382.844 3.405 10 30 GGEERN CC[C@H](NC(=O)NCc1cc(F)c(C(F)(F)F)cc1F)[C@H](O)C(F)F ZINC000458764718 567573631 /nfs/dbraw/zinc/57/36/31/567573631.db2.gz ROQRDBNCGGZJOD-QWRGUYRKSA-N 0 0 376.272 3.187 10 30 GGEERN C[C@H]1CN(C(=O)NCc2ccc(C#N)c(Cl)c2)C[C@@H](CC(F)(F)F)O1 ZINC000595603042 567574060 /nfs/dbraw/zinc/57/40/60/567574060.db2.gz 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/nfs/dbraw/zinc/58/53/25/567585325.db2.gz YEOWRXGBFBKJFS-INIZCTEOSA-N 0 0 397.260 3.169 10 30 GGEERN Cc1ccc2c(c1Br)CN(C[C@@H](O)COc1ccc(C#N)cc1)C2 ZINC000595878407 567588905 /nfs/dbraw/zinc/58/89/05/567588905.db2.gz NWQGUBOZLKCCIS-MRXNPFEDSA-N 0 0 387.277 3.385 10 30 GGEERN C[C@@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](CC(F)(F)F)O1 ZINC000595890447 567589508 /nfs/dbraw/zinc/58/95/08/567589508.db2.gz MIRAEGMOVJAMNP-MFKMUULPSA-N 0 0 375.778 3.192 10 30 GGEERN C[C@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](CC(F)(F)F)O1 ZINC000595890445 567590466 /nfs/dbraw/zinc/59/04/66/567590466.db2.gz MIRAEGMOVJAMNP-GWCFXTLKSA-N 0 0 375.778 3.192 10 30 GGEERN COC(=O)c1sc2c(c1Br)CN(Cc1nc(C#N)cs1)C2 ZINC000595904711 567590561 /nfs/dbraw/zinc/59/05/61/567590561.db2.gz BNJMUXJKTDVWTI-UHFFFAOYSA-N 0 0 384.280 3.141 10 30 GGEERN N#Cc1cccc(CC(=O)NCc2noc(-c3cccc(Br)c3)n2)c1 ZINC000530310402 567590974 /nfs/dbraw/zinc/59/09/74/567590974.db2.gz WQUHEZAMXKGUTL-UHFFFAOYSA-N 0 0 397.232 3.230 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000644950677 567592982 /nfs/dbraw/zinc/59/29/82/567592982.db2.gz CHOWYRIXCAULGK-QEORTHHSSA-N 0 0 384.307 3.462 10 30 GGEERN C=CCN(Cc1cccs1)C(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621563284 567594519 /nfs/dbraw/zinc/59/45/19/567594519.db2.gz BJSPVAJOIKYPID-KRWDZBQOSA-N 0 0 376.503 3.115 10 30 GGEERN C[C@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1ccc(C#N)cc1F ZINC000530366130 567596721 /nfs/dbraw/zinc/59/67/21/567596721.db2.gz NUKWTFAADGLQRV-QFYYESIMSA-N 0 0 376.229 3.337 10 30 GGEERN C[C@H]1[C@@H](C(F)(F)F)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000480418184 567602148 /nfs/dbraw/zinc/60/21/48/567602148.db2.gz QGUGPZNWVUALAH-UFBFGSQYSA-N 0 0 397.216 3.282 10 30 GGEERN N#CCc1ccnc(NCc2ccc(Br)cc2N2CCOCC2)c1 ZINC000530489776 567605620 /nfs/dbraw/zinc/60/56/20/567605620.db2.gz YJDYIJDXTFWYAO-UHFFFAOYSA-N 0 0 387.281 3.359 10 30 GGEERN C[C@H](NC(=O)CSCc1ccc(C#N)cc1)c1ncc(Br)cn1 ZINC000552732240 567605950 /nfs/dbraw/zinc/60/59/50/567605950.db2.gz 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QGXMFRBOGIMAOE-UHFFFAOYSA-N 0 0 376.503 3.469 10 30 GGEERN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2nc(C#N)c(Cl)s2)C1 ZINC000596138295 567611493 /nfs/dbraw/zinc/61/14/93/567611493.db2.gz IBGBYKHTOUVROQ-VIFPVBQESA-N 0 0 380.823 3.295 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000665182235 567611558 /nfs/dbraw/zinc/61/15/58/567611558.db2.gz IRFMIIZTOPKCJT-UAGQMJEPSA-N 0 0 395.297 3.123 10 30 GGEERN CN1C(=O)C[C@@H](Nc2nc(C#N)c(Cl)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000596172884 567612804 /nfs/dbraw/zinc/61/28/04/567612804.db2.gz NUNWBLCYNIXRAF-MFKMUULPSA-N 0 0 385.251 3.266 10 30 GGEERN COc1cc(OC)cc(N2CC[C@@H](CNc3nc(C#N)c(Cl)s3)C2)c1 ZINC000596156176 567613056 /nfs/dbraw/zinc/61/30/56/567613056.db2.gz GNNCKPZLTPNOOG-NSHDSACASA-N 0 0 378.885 3.046 10 30 GGEERN Cc1ccc(Br)cc1NC(=O)CCNC(=O)N1CC[C@](C)(C#N)C1 ZINC000596227066 567617588 /nfs/dbraw/zinc/61/75/88/567617588.db2.gz MTOIVMWOOUCHPG-QGZVFWFLSA-N 0 0 393.285 3.031 10 30 GGEERN N#CC1(CS(=O)(=O)N2CCc3cc(Br)ccc3C2)CCCC1 ZINC000480686499 567620899 /nfs/dbraw/zinc/62/08/99/567620899.db2.gz ZIAAJRCAJBTZDS-UHFFFAOYSA-N 0 0 383.311 3.221 10 30 GGEERN C[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@H](c2ccsc2)O1 ZINC000480694878 567621292 /nfs/dbraw/zinc/62/12/92/567621292.db2.gz QHSMATNHGUKPNJ-SJKOYZFVSA-N 0 0 380.466 3.051 10 30 GGEERN Cc1nc(Nc2cccc(CN3CCCS3(=O)=O)c2)c(Cl)cc1C#N ZINC000596316457 567622808 /nfs/dbraw/zinc/62/28/08/567622808.db2.gz HRUZYUMAQLASHC-UHFFFAOYSA-N 0 0 376.869 3.194 10 30 GGEERN COC(=O)C1(COc2c(Br)cc(C#N)cc2Br)CC1 ZINC000596304442 567622934 /nfs/dbraw/zinc/62/29/34/567622934.db2.gz MZZDPHCUFOHYRC-UHFFFAOYSA-N 0 0 389.043 3.415 10 30 GGEERN N#CC[C@@H]1CCCN(c2ncnc3cccc(I)c32)C1 ZINC000596327732 567623875 /nfs/dbraw/zinc/62/38/75/567623875.db2.gz AJUNTUXPWKPTBQ-NSHDSACASA-N 0 0 378.217 3.364 10 30 GGEERN Cc1cccc(CNS(=O)(=O)Cc2ccc(C#N)cc2F)c1Br ZINC000480714969 567623856 /nfs/dbraw/zinc/62/38/56/567623856.db2.gz NZLYQGXJVQDEQD-UHFFFAOYSA-N 0 0 397.269 3.388 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)NC[C@H]2SCCc3ccccc32)c(F)c1 ZINC000480738354 567626151 /nfs/dbraw/zinc/62/61/51/567626151.db2.gz XDCFLZSJVOQRQB-GOSISDBHSA-N 0 0 376.478 3.147 10 30 GGEERN CCN(CC)C(=O)C1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000480749983 567627294 /nfs/dbraw/zinc/62/72/94/567627294.db2.gz PXBLTHFXPBLAGV-UHFFFAOYSA-N 0 0 378.314 3.401 10 30 GGEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000506515029 567629717 /nfs/dbraw/zinc/62/97/17/567629717.db2.gz XHQVTPWIWTWFJT-AWEZNQCLSA-N 0 0 377.388 3.040 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCc1ccc(-c2csc(C)n2)s1 ZINC000665629937 567631075 /nfs/dbraw/zinc/63/10/75/567631075.db2.gz TXEALAKCFUWCCL-HNNXBMFYSA-N 0 0 377.535 3.310 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1NC[C@H]1CCCCS1(=O)=O ZINC000572324478 567631593 /nfs/dbraw/zinc/63/15/93/567631593.db2.gz KWZJNOLZUWZHIT-GFCCVEGCSA-N 0 0 394.294 3.248 10 30 GGEERN N#Cc1cnc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000596428896 567633092 /nfs/dbraw/zinc/63/30/92/567633092.db2.gz 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C[C@]1(CCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1(F)F ZINC000598217026 567748400 /nfs/dbraw/zinc/74/84/00/567748400.db2.gz VSVJMKJWGGSQOH-INIZCTEOSA-N 0 0 398.251 3.309 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)Cc2cc3c(cc2Cl)OCCO3)cc1F ZINC000554780392 567748626 /nfs/dbraw/zinc/74/86/26/567748626.db2.gz XLJFSJIYDXDGSX-UHFFFAOYSA-N 0 0 381.812 3.237 10 30 GGEERN N#Cc1ccc(CC(=O)N2CCOC[C@@H]2c2cccc(Br)c2)cc1 ZINC000598232715 567749640 /nfs/dbraw/zinc/74/96/40/567749640.db2.gz ZATNFJQSDSLBMM-GOSISDBHSA-N 0 0 385.261 3.463 10 30 GGEERN Cc1cc(C#N)cnc1C(=O)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000598230409 567749885 /nfs/dbraw/zinc/74/98/85/567749885.db2.gz OVKOFAGFOSAHPB-INIZCTEOSA-N 0 0 386.249 3.238 10 30 GGEERN Cc1cc(C(=O)N2CCOC[C@@H]2c2cccc(Br)c2)ncc1C#N ZINC000598230021 567750006 /nfs/dbraw/zinc/75/00/06/567750006.db2.gz NHUBBDLYKHDESB-QGZVFWFLSA-N 0 0 386.249 3.238 10 30 GGEERN N#Cc1cccc(C2(NC(=O)c3ncccc3Br)CCOCC2)c1 ZINC000598246019 567750735 /nfs/dbraw/zinc/75/07/35/567750735.db2.gz 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/nfs/dbraw/zinc/75/40/12/567754012.db2.gz FAXKPBZDTDMGCE-SNVBAGLBSA-N 0 0 384.217 3.064 10 30 GGEERN N#CC1(CNC(=O)Cc2cccc(I)c2)CCCCC1 ZINC000598310238 567755051 /nfs/dbraw/zinc/75/50/51/567755051.db2.gz MLEYGXGCQBVLMC-UHFFFAOYSA-N 0 0 382.245 3.424 10 30 GGEERN N#Cc1c(Br)cccc1S(=O)(=O)N1CCCC[C@H]1C(F)F ZINC000574108444 567756522 /nfs/dbraw/zinc/75/65/22/567756522.db2.gz PTJVSLDVRCXIEU-NSHDSACASA-N 0 0 379.226 3.129 10 30 GGEERN Cc1nc(NCc2cccc(N3CCCS3(=O)=O)c2)c(Cl)cc1C#N ZINC000461936975 567756904 /nfs/dbraw/zinc/75/69/04/567756904.db2.gz BCHYQCBUAGIWIQ-UHFFFAOYSA-N 0 0 376.869 3.067 10 30 GGEERN C[C@H]1COC2(CCCC2)CN1C(=O)Cc1ccc(Br)cc1C#N ZINC000598349542 567758449 /nfs/dbraw/zinc/75/84/49/567758449.db2.gz GZUPWGHXXDDGHL-ZDUSSCGKSA-N 0 0 377.282 3.423 10 30 GGEERN CCN(C(=O)CCC(=O)c1ccc(I)cc1)[C@@H](C)C#N ZINC000598345968 567758932 /nfs/dbraw/zinc/75/89/32/567758932.db2.gz BOCFLLYUBCRVKC-NSHDSACASA-N 0 0 384.217 3.015 10 30 GGEERN C=CCNc1ncc(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)s1 ZINC000533216146 567759355 /nfs/dbraw/zinc/75/93/55/567759355.db2.gz XWOMXPGXKOMGRC-UHFFFAOYSA-N 0 0 376.463 3.042 10 30 GGEERN N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@H]2CC[C@@H](c3ccccc3)O2)c1 ZINC000554972200 567760270 /nfs/dbraw/zinc/76/02/70/567760270.db2.gz GMUBPEPOEYPRFM-WBVHZDCISA-N 0 0 376.865 3.410 10 30 GGEERN N#Cc1ccc(OCC(=O)N2CCC(c3ccon3)CC2)cc1Br ZINC000598398085 567762565 /nfs/dbraw/zinc/76/25/65/567762565.db2.gz DRIJQZGLUCPOSB-UHFFFAOYSA-N 0 0 390.237 3.094 10 30 GGEERN C[C@@]1(C#N)CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)C1 ZINC000598409115 567763236 /nfs/dbraw/zinc/76/32/36/567763236.db2.gz FJJCGCUCXJYXHN-KRWDZBQOSA-N 0 0 380.897 3.189 10 30 GGEERN C[C@]1(C#N)CCN(C(=O)c2ccc3cc(I)ccc3n2)C1 ZINC000598417177 567763251 /nfs/dbraw/zinc/76/32/51/567763251.db2.gz ISNCECGVCOEQBI-MRXNPFEDSA-N 0 0 391.212 3.215 10 30 GGEERN C[C@@]1(C#N)CCN(C(=O)CCC[S@](=O)c2ccc(Br)cc2)C1 ZINC000598409964 567763500 /nfs/dbraw/zinc/76/35/00/567763500.db2.gz COFLSYUCBXWODV-AOMKIAJQSA-N 0 0 383.311 3.099 10 30 GGEERN C[C@@]1(C#N)CCN(C(=O)c2ccc3cc(I)ccc3n2)C1 ZINC000598417171 567763410 /nfs/dbraw/zinc/76/34/10/567763410.db2.gz ISNCECGVCOEQBI-INIZCTEOSA-N 0 0 391.212 3.215 10 30 GGEERN C[C@@]1(C#N)CCN(C(=O)[C@H](c2ccc(Cl)cc2Cl)N2CCOCC2)C1 ZINC000598409776 567763472 /nfs/dbraw/zinc/76/34/72/567763472.db2.gz QWLKXNVDZVRMTN-WMZOPIPTSA-N 0 0 382.291 3.129 10 30 GGEERN CN1C(=O)C[C@H](C(=O)N2CC[C@](C)(C#N)C2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000598414889 567763494 /nfs/dbraw/zinc/76/34/94/567763494.db2.gz JGGAVXIIUBMMHS-ULFGMLNVSA-N 0 0 380.275 3.275 10 30 GGEERN C[C@]1(C#N)CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000598410924 567763504 /nfs/dbraw/zinc/76/35/04/567763504.db2.gz HAQVSNUVPMRAME-MRXNPFEDSA-N 0 0 377.217 3.150 10 30 GGEERN C[C@@]1(C#N)CCN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2O)C1 ZINC000598414927 567763563 /nfs/dbraw/zinc/76/35/63/567763563.db2.gz JZLFGJVWZNDBLB-INIZCTEOSA-N 0 0 394.656 3.320 10 30 GGEERN C[C@@]1(C#N)CCN(C(=O)[C@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)C1 ZINC000598412119 567763620 /nfs/dbraw/zinc/76/36/20/567763620.db2.gz RHNLZTLSIWZDBW-WMZOPIPTSA-N 0 0 382.291 3.129 10 30 GGEERN C[C@@]1(C#N)CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000598409261 567763672 /nfs/dbraw/zinc/76/36/72/567763672.db2.gz GYFWRBHQXQDFDY-YJBOKZPZSA-N 0 0 380.275 3.360 10 30 GGEERN C[C@]1(C#N)CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000598409257 567763687 /nfs/dbraw/zinc/76/36/87/567763687.db2.gz GYFWRBHQXQDFDY-CRAIPNDOSA-N 0 0 380.275 3.360 10 30 GGEERN C[C@]1(C#N)CCN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000598412002 567763886 /nfs/dbraw/zinc/76/38/86/567763886.db2.gz LPYQTIAICVDNLW-OAHLLOKOSA-N 0 0 395.282 3.255 10 30 GGEERN C[C@@]1(C#N)CCN(C(=O)CCc2nc(-c3cc(Br)cs3)no2)C1 ZINC000598412001 567763928 /nfs/dbraw/zinc/76/39/28/567763928.db2.gz LPYQTIAICVDNLW-HNNXBMFYSA-N 0 0 395.282 3.255 10 30 GGEERN COc1cc(CNC(=O)COc2ccc(Br)cc2)ccc1C#N ZINC000555072443 567766881 /nfs/dbraw/zinc/76/68/81/567766881.db2.gz GUJHZOFBFQCQIR-UHFFFAOYSA-N 0 0 375.222 3.025 10 30 GGEERN C[C@H](C(=O)N[C@H]1CCCCc2cc(Br)ccc21)n1cnc(C#N)n1 ZINC000598454141 567769994 /nfs/dbraw/zinc/76/99/94/567769994.db2.gz VLTBJHFPUQKZJL-ABAIWWIYSA-N 0 0 388.269 3.057 10 30 GGEERN CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)Cc1ccc(Br)cc1C#N ZINC000598492142 567771282 /nfs/dbraw/zinc/77/12/82/567771282.db2.gz RHHKPSQTJSRWTC-QAPCUYQASA-N 0 0 393.281 3.101 10 30 GGEERN C=CCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1cnccn1 ZINC000508871909 567771924 /nfs/dbraw/zinc/77/19/24/567771924.db2.gz HDUWOCPUIKJUJH-UHFFFAOYSA-N 0 0 385.269 3.320 10 30 GGEERN C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1Br)n1cnc(C#N)n1 ZINC000462114775 567774854 /nfs/dbraw/zinc/77/48/54/567774854.db2.gz YMODFHNYCABETK-ZETCQYMHSA-N 0 0 388.147 3.131 10 30 GGEERN Cc1cc(I)ccc1NC(=O)CN(C[C@H](C)C#N)C1CC1 ZINC000533598578 567777795 /nfs/dbraw/zinc/77/77/95/567777795.db2.gz BUZMYJBATHKZHF-LLVKDONJSA-N 0 0 397.260 3.162 10 30 GGEERN CCO[C@H](C)c1nc(CN(C)S(=O)(=O)c2ccc(C#N)c(C)c2)cs1 ZINC000443903408 567779394 /nfs/dbraw/zinc/77/93/94/567779394.db2.gz DEYJUWXIQRNBPN-CYBMUJFWSA-N 0 0 379.507 3.241 10 30 GGEERN C[C@@H](C#N)CN(C)S(=O)(=O)NC1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000598620325 567779904 /nfs/dbraw/zinc/77/99/04/567779904.db2.gz BJOPVUGZFZDLQI-LBPRGKRZSA-N 0 0 375.416 3.010 10 30 GGEERN COc1nc(C)cc(C)c1CN(C)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000598627040 567780111 /nfs/dbraw/zinc/78/01/11/567780111.db2.gz FSMGSTXLSWELTR-UHFFFAOYSA-N 0 0 379.869 3.053 10 30 GGEERN C[C@H](CC#N)N(C)S(=O)(=O)NC1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000598621853 567780358 /nfs/dbraw/zinc/78/03/58/567780358.db2.gz OPKLPIGQSUPIDD-GFCCVEGCSA-N 0 0 375.416 3.153 10 30 GGEERN COc1nc(C)cc(C)c1CN(C)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000598627077 567780546 /nfs/dbraw/zinc/78/05/46/567780546.db2.gz HSAIJEJIGQRQBO-UHFFFAOYSA-N 0 0 379.869 3.053 10 30 GGEERN CN1C(=O)C[C@H](NC(=O)c2ccc(C#N)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533655991 567780812 /nfs/dbraw/zinc/78/08/12/567780812.db2.gz XTNLTFLZVAIPIZ-BBRMVZONSA-N 0 0 377.828 3.114 10 30 GGEERN COC(=O)c1nc(N2CCN(c3ccc(C#N)cc3Cl)CC2)sc1C ZINC000443955486 567781464 /nfs/dbraw/zinc/78/14/64/567781464.db2.gz GPZPOMHZRRPRDM-UHFFFAOYSA-N 0 0 376.869 3.090 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@@H](c2nccs2)C(F)(F)F)cc1Cl ZINC000555413812 567782213 /nfs/dbraw/zinc/78/22/13/567782213.db2.gz KCBQAZSYBVDUPQ-JTQLQIEISA-N 0 0 381.788 3.250 10 30 GGEERN O=C(Cn1ccc(C(F)F)n1)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000624524225 567785412 /nfs/dbraw/zinc/78/54/12/567785412.db2.gz CVBMDYZMLDGCAH-OCAPTIKFSA-N 0 0 379.251 3.410 10 30 GGEERN C=CCn1c([C@H]2CCCS2)nnc1N1CCN(c2nc(C)cs2)CC1 ZINC000574630323 567789176 /nfs/dbraw/zinc/78/91/76/567789176.db2.gz ZULUCKAVPNMWCD-CQSZACIVSA-N 0 0 376.555 3.124 10 30 GGEERN O=C(Nc1ncc(C(F)(F)F)s1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000574644631 567790162 /nfs/dbraw/zinc/79/01/62/567790162.db2.gz KFAQRXFUQOKZPG-UHFFFAOYSA-N 0 0 394.316 3.212 10 30 GGEERN N#CC1(CC(=O)NCC(F)(F)c2ccc(Br)cc2)CCOCC1 ZINC000598781894 567791511 /nfs/dbraw/zinc/79/15/11/567791511.db2.gz KVFYJSFJFDZDKA-UHFFFAOYSA-N 0 0 387.224 3.368 10 30 GGEERN CCOC(=O)c1cc(Br)ccc1NC(=O)CC1(C#N)CCOCC1 ZINC000598815881 567792163 /nfs/dbraw/zinc/79/21/63/567792163.db2.gz OJVLAUVRKIKRCA-UHFFFAOYSA-N 0 0 395.253 3.275 10 30 GGEERN COC(=O)C1(C(=O)N[C@H](C#N)c2cccc(Br)c2)CC2(CCC2)C1 ZINC000598823308 567792625 /nfs/dbraw/zinc/79/26/25/567792625.db2.gz FDALREURKZGNJN-CQSZACIVSA-N 0 0 391.265 3.253 10 30 GGEERN C[C@@H]1CN(C(=O)CC2(C#N)CCOCC2)c2cc(Br)ccc2O1 ZINC000598830633 567792904 /nfs/dbraw/zinc/79/29/04/567792904.db2.gz BYFTZCDYTCMSDX-GFCCVEGCSA-N 0 0 379.254 3.273 10 30 GGEERN COCCC[C@@H](CNS(=O)(=O)CC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000574725661 567793163 /nfs/dbraw/zinc/79/31/63/567793163.db2.gz GVELCVFVQRQRBO-INIZCTEOSA-N 0 0 384.929 3.463 10 30 GGEERN N#C[C@H](NC(=O)C1(C(F)(F)F)CCOCC1)c1cccc(Br)c1 ZINC000598824274 567793546 /nfs/dbraw/zinc/79/35/46/567793546.db2.gz ONIIFFUFTRWRDT-LBPRGKRZSA-N 0 0 391.187 3.489 10 30 GGEERN C=CCCn1cc(CNCc2nc3cc(Br)ccc3n2CC)nn1 ZINC000668056055 567794432 /nfs/dbraw/zinc/79/44/32/567794432.db2.gz 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567798942 /nfs/dbraw/zinc/79/89/42/567798942.db2.gz WMUPILNFOMZXFM-UHFFFAOYSA-N 0 0 393.285 3.255 10 30 GGEERN CC(C)(C#N)C(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000598911010 567799047 /nfs/dbraw/zinc/79/90/47/567799047.db2.gz BDHZXOUFWASPTI-UHFFFAOYSA-N 0 0 393.285 3.111 10 30 GGEERN CC[C@@H](C#N)C(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000598912523 567799122 /nfs/dbraw/zinc/79/91/22/567799122.db2.gz BCEZMALKGWEHCM-LBPRGKRZSA-N 0 0 393.285 3.111 10 30 GGEERN COC(=O)c1cccc(CN2CCc3nccc(Br)c3C2)c1C#N ZINC000598944935 567799882 /nfs/dbraw/zinc/79/98/82/567799882.db2.gz DNVTUKFGKMDTFE-UHFFFAOYSA-N 0 0 386.249 3.061 10 30 GGEERN N#CC1(CC(=O)N2CCc3ccc(F)c(Br)c3C2)CCOCC1 ZINC000598949604 567799952 /nfs/dbraw/zinc/79/99/52/567799952.db2.gz YRCMRYVBDNMBBE-UHFFFAOYSA-N 0 0 381.245 3.183 10 30 GGEERN N#Cc1ccc(OCCNCc2cn(-c3ccccc3Br)nn2)cc1 ZINC000574846672 567800057 /nfs/dbraw/zinc/80/00/57/567800057.db2.gz LRAGIHQSIMJHQZ-UHFFFAOYSA-N 0 0 398.264 3.070 10 30 GGEERN 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/nfs/dbraw/zinc/72/40/31/570724031.db2.gz GYWIGNHDGIPUDL-HNNXBMFYSA-N 0 0 377.872 3.262 10 30 GGEERN C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1n[nH]c(-c2ccccc2OC(F)F)n1 ZINC000058314230 570726762 /nfs/dbraw/zinc/72/67/62/570726762.db2.gz VXNSKPZSWBGBIO-SECBINFHSA-N 0 0 391.334 3.073 10 30 GGEERN COc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2ccc(C#N)cc2)C1 ZINC000065314735 570796706 /nfs/dbraw/zinc/79/67/06/570796706.db2.gz OVBSVOPPNBTTEI-INIZCTEOSA-N 0 0 387.443 3.365 10 30 GGEERN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)Cc3sc(N)nc3O)sc2C1 ZINC000005901691 570802694 /nfs/dbraw/zinc/80/26/94/570802694.db2.gz FNHZLOATHWWYPT-NOZJJQNGSA-N 0 0 390.534 3.056 10 30 GGEERN N#Cc1ccc(N2CCC(NC(=O)C[C@@H]3OCCc4ccccc43)CC2)cc1 ZINC000583652262 570805398 /nfs/dbraw/zinc/80/53/98/570805398.db2.gz VNUTVKMSRVZSSO-QFIPXVFZSA-N 0 0 375.472 3.347 10 30 GGEERN N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCc1c[nH]c2ccccc12 ZINC000005937659 570806251 /nfs/dbraw/zinc/80/62/51/570806251.db2.gz ZFKHMPULTUCJRL-UHFFFAOYSA-N 0 0 392.371 3.062 10 30 GGEERN CCOC(=O)c1cc(C#N)c(SCC(=O)N[C@H](C)c2cccs2)nc1C ZINC000007149466 570807145 /nfs/dbraw/zinc/80/71/45/570807145.db2.gz MDPYRCDTYHJRKP-GFCCVEGCSA-N 0 0 389.502 3.469 10 30 GGEERN CCc1ccccc1NC(=NS(C)(=O)=O)Nc1ccc(OC)c(OC)c1 ZINC000033116385 570814142 /nfs/dbraw/zinc/81/41/42/570814142.db2.gz ANPHNNHSUUNRST-UHFFFAOYSA-N 0 0 377.466 3.106 10 30 GGEERN C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nc2ncccc2c1=O ZINC000031615128 570818015 /nfs/dbraw/zinc/81/80/15/570818015.db2.gz KWQXHGAZDSOGAM-UHFFFAOYSA-N 0 0 380.473 3.271 10 30 GGEERN CC(C)(C#N)c1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000032802085 570820670 /nfs/dbraw/zinc/82/06/70/570820670.db2.gz INSNONGCCKRWJA-UHFFFAOYSA-N 0 0 376.504 3.244 10 30 GGEERN CCCCCCC[C@]1(C)NC(=O)N(CC(=O)c2ccc(NC(C)=O)cc2)C1=O ZINC000101661906 570828712 /nfs/dbraw/zinc/82/87/12/570828712.db2.gz MOYXNVWZAYJUNM-NRFANRHFSA-N 0 0 387.480 3.499 10 30 GGEERN CC(=O)Nc1cccc(-n2c(C)nnc2Sc2ccc([N+](=O)[O-])cc2C#N)c1 ZINC000012538283 570837449 /nfs/dbraw/zinc/83/74/49/570837449.db2.gz HSRMSPGTZODMTC-UHFFFAOYSA-N 0 0 394.416 3.465 10 30 GGEERN N#Cc1cccc(S(=O)(=O)N2CCC(c3noc(-c4ccccc4)n3)CC2)c1 ZINC000033169422 570838247 /nfs/dbraw/zinc/83/82/47/570838247.db2.gz ZEZINCQHTSRKQU-UHFFFAOYSA-N 0 0 394.456 3.177 10 30 GGEERN COc1cccc([C@@H]2C3C(=O)CCCC3=Nc3nc(C(F)(F)F)nn32)c1OC ZINC000004716156 570856572 /nfs/dbraw/zinc/85/65/72/570856572.db2.gz DTWIMOIXLSFJOA-CQSZACIVSA-N 0 0 394.353 3.336 10 30 GGEERN Cc1oc(-c2ccccc2)nc1CN1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000033252174 570860350 /nfs/dbraw/zinc/86/03/50/570860350.db2.gz KEVHBFAWVZVUOS-UHFFFAOYSA-N 0 0 386.455 3.480 10 30 GGEERN COc1cccc(-c2csc(C3=C(N)N(Cc4cccnc4)[C@@H](C)C3=O)n2)c1 ZINC000103292774 570880927 /nfs/dbraw/zinc/88/09/27/570880927.db2.gz JAKUDUKKQIZIOJ-ZDUSSCGKSA-N 0 0 392.484 3.314 10 30 GGEERN C[C@@H]1C=C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]1C(=O)Nc1cccc(C#N)c1 ZINC000103773261 570889072 /nfs/dbraw/zinc/88/90/72/570889072.db2.gz DEZBWTMTCQZVAI-QAJUQPOASA-N 0 0 399.450 3.120 10 30 GGEERN CNC(=O)c1ccccc1NCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000012606492 570889091 /nfs/dbraw/zinc/88/90/91/570889091.db2.gz NRZQGNGLVAHJTJ-UHFFFAOYSA-N 0 0 382.489 3.299 10 30 GGEERN Cc1ccc(C(=O)N2CC[C@@]3(C2)NCc2ccccc2NC3=NC(C)(C)C)cn1 ZINC000097111660 570896970 /nfs/dbraw/zinc/89/69/70/570896970.db2.gz SJDYRRILMOCZCF-QHCPKHFHSA-N 0 0 391.519 3.387 10 30 GGEERN COCCOC(=NC(=O)c1cccc(C(F)(F)F)c1)NCc1cccnc1 ZINC000004420991 570897585 /nfs/dbraw/zinc/89/75/85/570897585.db2.gz FEYQWCBEWUSGIR-UHFFFAOYSA-N 0 0 381.354 3.049 10 30 GGEERN COC(=O)C1=C(Nc2ccc([N+](=O)[O-])cc2)SC(=Cc2ccccc2O)C1=O ZINC000101728135 570901162 /nfs/dbraw/zinc/90/11/62/570901162.db2.gz ZHRPTTWPJPWDKH-XNTDXEJSSA-N 0 0 398.396 3.454 10 30 GGEERN C=CCNC(=O)[C@H]1Cc2ccc(OC)cc2N2CCN(c3ccc(C)cc3)C[C@H]12 ZINC000104917344 570908471 /nfs/dbraw/zinc/90/84/71/570908471.db2.gz GPFMNAYZILKMFP-JTHBVZDNSA-N 0 0 391.515 3.173 10 30 GGEERN C=CCNC(=O)[C@@H]1Cc2ccc(OC)cc2N2CCN(c3ccc(C)cc3)C[C@H]12 ZINC000104917342 570908503 /nfs/dbraw/zinc/90/85/03/570908503.db2.gz GPFMNAYZILKMFP-FYYLOGMGSA-N 0 0 391.515 3.173 10 30 GGEERN C=CCOC[C@@H](O)CN(Cc1ccccc1F)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983289 570911722 /nfs/dbraw/zinc/91/17/22/570911722.db2.gz RFQYNKRSVZKKNU-LEWJYISDSA-N 0 0 398.478 3.384 10 30 GGEERN CCOC(=O)c1sc(N)c(C#N)c1COC(=O)c1cc(C)n(C2CC2)c1C ZINC000007575611 570916591 /nfs/dbraw/zinc/91/65/91/570916591.db2.gz CKYGRKJQSIJKSF-UHFFFAOYSA-N 0 0 387.461 3.489 10 30 GGEERN COc1cc(C=NN=Cc2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O ZINC000252460398 570959691 /nfs/dbraw/zinc/95/96/91/570959691.db2.gz FACGGJDKFASHOV-UHFFFAOYSA-N 0 0 384.388 3.007 10 30 GGEERN C=CCn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000003168636 570966980 /nfs/dbraw/zinc/96/69/80/570966980.db2.gz HCJNQDRURYNZRP-UHFFFAOYSA-N 0 0 395.440 3.042 10 30 GGEERN C#Cc1cccc(NC(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2=O)c1 ZINC000072286658 570970744 /nfs/dbraw/zinc/97/07/44/570970744.db2.gz KXPFBBCQMOTGQS-OAHLLOKOSA-N 0 0 385.370 3.196 10 30 GGEERN N#Cc1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000012749692 570998427 /nfs/dbraw/zinc/99/84/27/570998427.db2.gz NCLBEXDPXNYMDI-UHFFFAOYSA-N 0 0 376.412 3.065 10 30 GGEERN COc1ccc(CCCC(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1F ZINC000170657056 571000608 /nfs/dbraw/zinc/00/06/08/571000608.db2.gz PQSQYWPVVDDOJZ-UHFFFAOYSA-N 0 0 393.422 3.307 10 30 GGEERN C=CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=Nc1nnc(C)s1 ZINC000252592225 571001165 /nfs/dbraw/zinc/00/11/65/571001165.db2.gz BDQZTARHWDBJBR-RRMXTAKFSA-N 0 0 386.458 3.365 10 30 GGEERN CN(C)c1nc(N=NCc2cc(Cl)ccc2O)nc(NCc2ccccc2)n1 ZINC000252592403 571001621 /nfs/dbraw/zinc/00/16/21/571001621.db2.gz BFGLCDBDQDOIFF-UHFFFAOYSA-N 0 0 397.870 3.355 10 30 GGEERN CC(=O)Nc1cccc(C(=O)N=C(NCc2ccncc2)Nc2ccccc2)c1 ZINC000045940526 571001723 /nfs/dbraw/zinc/00/17/23/571001723.db2.gz UXGMAWYLPHAOKF-UHFFFAOYSA-N 0 0 387.443 3.438 10 30 GGEERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000012750335 571002641 /nfs/dbraw/zinc/00/26/41/571002641.db2.gz XHJAVUDKMCANJL-UHFFFAOYSA-N 0 0 387.392 3.045 10 30 GGEERN CC(C)(C)n1cc(C(=O)OCCC#Cc2ccc(CN3CCOCC3)cc2)cn1 ZINC000084325816 571012788 /nfs/dbraw/zinc/01/27/88/571012788.db2.gz IVQCKVUSCBIMDX-UHFFFAOYSA-N 0 0 395.503 3.069 10 30 GGEERN N#Cc1c(NC(=O)COc2cc(Cl)ccc2C(N)=O)sc2c1CCCC2 ZINC000084343844 571013884 /nfs/dbraw/zinc/01/38/84/571013884.db2.gz CHVRVHZUUBYWDM-UHFFFAOYSA-N 0 0 389.864 3.268 10 30 GGEERN N#CC1(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CCCCC1 ZINC000084372817 571015460 /nfs/dbraw/zinc/01/54/60/571015460.db2.gz UMVBSEMYHCJQJM-CYBMUJFWSA-N 0 0 379.382 3.401 10 30 GGEERN O=C1NC(=NN=Cc2cccc([N+](=O)[O-])c2)S/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000252616922 571018871 /nfs/dbraw/zinc/01/88/71/571018871.db2.gz KIPDOPVWEFBJGV-PQHMUBMVSA-N 0 0 397.372 3.097 10 30 GGEERN CC(=O)Nc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(F)cc2)c1 ZINC000046132132 571023547 /nfs/dbraw/zinc/02/35/47/571023547.db2.gz ZLRUTQBVKQASGB-LJQANCHMSA-N 0 0 398.438 3.161 10 30 GGEERN COc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cc(C)ccc2OC)c1 ZINC000046132262 571024005 /nfs/dbraw/zinc/02/40/05/571024005.db2.gz DNHCPIWIRVUYRQ-GOSISDBHSA-N 0 0 397.475 3.389 10 30 GGEERN CC1CCC(C#N)(N(C)C(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000012774332 571027735 /nfs/dbraw/zinc/02/77/35/571027735.db2.gz NSLQJTPBUGCLND-UHFFFAOYSA-N 0 0 390.915 3.141 10 30 GGEERN COc1ccccc1NC(=O)[C@H]1CC(=O)N(C)C(=Nc2cccc(F)c2)S1 ZINC000252625146 571038581 /nfs/dbraw/zinc/03/85/81/571038581.db2.gz QEGAJNTWIKWJBB-MRXNPFEDSA-N 0 0 387.436 3.424 10 30 GGEERN Oc1cccc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1 ZINC000252624756 571038680 /nfs/dbraw/zinc/03/86/80/571038680.db2.gz PULQMUPKGJAOAJ-UHFFFAOYSA-N 0 0 381.484 3.004 10 30 GGEERN CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=NN=c1[nH]c2ccccc2s1 ZINC000252624964 571038786 /nfs/dbraw/zinc/03/87/86/571038786.db2.gz PZMULTUPPXYPDS-UHFFFAOYSA-N 0 0 380.389 3.395 10 30 GGEERN CC(=O)C1=C(OC(=O)Cc2ccccc2)c2ccccc2S(=O)(=O)N1C(C)C ZINC000015669430 571039979 /nfs/dbraw/zinc/03/99/79/571039979.db2.gz VBWVVLRWXQYGHZ-UHFFFAOYSA-N 0 0 399.468 3.143 10 30 GGEERN CC(C)CS(=O)(=O)N1CCC(Nc2ncc(C#N)c3ccsc32)CC1 ZINC000601138429 652955802 /nfs/dbraw/zinc/95/58/02/652955802.db2.gz SLZUXDYWBFNOLR-UHFFFAOYSA-N 0 0 378.523 3.030 10 30 GGEERN Cc1sc2c(c1C)C(=O)C(=CNc1nc(C)cc(Cl)n1)S(=O)(=O)N2C ZINC000002152846 1398305001 /nfs/dbraw/zinc/30/50/01/1398305001.db2.gz SWZBGEJWVHYDMJ-POHAHGRESA-N 0 0 398.897 3.033 10 30 GGEERN C=CCN(CC(=O)Nc1cccc(C(C)=O)c1)S(=O)(=O)c1cccc(C)c1 ZINC000002637115 1398315179 /nfs/dbraw/zinc/31/51/79/1398315179.db2.gz IBXBHNQYGHXTRT-UHFFFAOYSA-N 0 0 386.473 3.013 10 30 GGEERN CCCCn1c(SCC(=O)N[C@@](C)(C#N)C(C)C)nnc1[C@H](CC)N(C)C ZINC000002664375 1398317531 /nfs/dbraw/zinc/31/75/31/1398317531.db2.gz YBBDFCGLBSZGTH-KXBFYZLASA-N 0 0 394.589 3.237 10 30 GGEERN CCOC(=O)c1sc(NCC(=O)N2CCCc3ccccc32)c(C#N)c1C ZINC000003359330 1398337185 /nfs/dbraw/zinc/33/71/85/1398337185.db2.gz RADWRRJQIDTNBS-UHFFFAOYSA-N 0 0 383.473 3.496 10 30 GGEERN COc1ccc(CN(C)CC(=O)Nc2sc3c(c2C#N)CCC3)c(OC)c1 ZINC000003380363 1398339491 /nfs/dbraw/zinc/33/94/91/1398339491.db2.gz SKVNOVQFAIXUCP-UHFFFAOYSA-N 0 0 385.489 3.196 10 30 GGEERN N#Cc1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1 ZINC000003403257 1398343518 /nfs/dbraw/zinc/34/35/18/1398343518.db2.gz UMMQDYIPOYOYQH-UHFFFAOYSA-N 0 0 386.440 3.418 10 30 GGEERN COc1ccc(CC/N=C2\SCCN2C(=O)COc2ccccc2C#N)cc1 ZINC000003422582 1398345686 /nfs/dbraw/zinc/34/56/86/1398345686.db2.gz HBWSQFGFCKDYMX-LNVKXUELSA-N 0 0 395.484 3.120 10 30 GGEERN Cc1ccc(-n2nnnc2SCC(=O)Nc2c(C#N)oc3ccccc32)cc1 ZINC000003527835 1398364111 /nfs/dbraw/zinc/36/41/11/1398364111.db2.gz HDKGIQKYKCNHTQ-UHFFFAOYSA-N 0 0 390.428 3.319 10 30 GGEERN CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2sccc2C#N)cc1OC ZINC000005367114 1398439321 /nfs/dbraw/zinc/43/93/21/1398439321.db2.gz SRJISOPHKPQJHD-FNORWQNLSA-N 0 0 386.429 3.222 10 30 GGEERN CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2cccc(C#N)c2)cc1 ZINC000006560868 1398560173 /nfs/dbraw/zinc/56/01/73/1398560173.db2.gz 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394.452 3.045 10 30 GGEERN C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccccc1C(=O)OCC ZINC000183572798 1430744323 /nfs/dbraw/zinc/74/43/23/1430744323.db2.gz FEYUYBWNFVESPA-UHFFFAOYSA-N 0 0 384.407 3.156 10 30 GGEERN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cc(-c2ccccc2)nn1C(C)(C)C ZINC000189114635 1432047667 /nfs/dbraw/zinc/04/76/67/1432047667.db2.gz GFVKWXQQUUGNQL-OAHLLOKOSA-N 0 0 381.480 3.252 10 30 GGEERN C=CCn1c(S[C@H](C)C(=O)Nc2ncccn2)nnc1-c1ccccc1F ZINC000192809736 1432893549 /nfs/dbraw/zinc/89/35/49/1432893549.db2.gz CCTYVDCITYKSJS-GFCCVEGCSA-N 0 0 384.440 3.180 10 30 GGEERN C=CCn1c(S[C@@H](C)C(=O)Nc2ncccn2)nnc1-c1ccccc1F ZINC000192809720 1432893630 /nfs/dbraw/zinc/89/36/30/1432893630.db2.gz CCTYVDCITYKSJS-LBPRGKRZSA-N 0 0 384.440 3.180 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)ccc1F ZINC000194030859 1433104163 /nfs/dbraw/zinc/10/41/63/1433104163.db2.gz XDIJGYQDYYXBIP-UHFFFAOYSA-N 0 0 390.411 3.120 10 30 GGEERN C[C@H](NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1)C1CC1 ZINC000194368782 1433168083 /nfs/dbraw/zinc/16/80/83/1433168083.db2.gz BXJPZOARYVXQOA-HOEZRSETSA-N 0 0 392.525 3.200 10 30 GGEERN N#Cc1ccc(N2CCN(C(=O)Cc3cccc(Br)c3)CC2)cc1 ZINC000242840331 1433447458 /nfs/dbraw/zinc/44/74/58/1433447458.db2.gz FVPSGDWEHXQSLF-UHFFFAOYSA-N 0 0 384.277 3.212 10 30 GGEERN CC(C)CNC(=O)c1c(N)n(N=Cc2ccco2)c2nc3ccccc3nc21 ZINC000245285815 1433455907 /nfs/dbraw/zinc/45/59/07/1433455907.db2.gz YQBQLDMKLITYJM-UHFFFAOYSA-N 0 0 376.420 3.028 10 30 GGEERN CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)[C@@H](C#N)C1 ZINC000246162020 1433576425 /nfs/dbraw/zinc/57/64/25/1433576425.db2.gz DZNMHPXIQMDQSV-YESZJQIVSA-N 0 0 389.883 3.415 10 30 GGEERN CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)[C@H](C#N)C1 ZINC000246162011 1433576466 /nfs/dbraw/zinc/57/64/66/1433576466.db2.gz DZNMHPXIQMDQSV-IXDOHACOSA-N 0 0 389.883 3.415 10 30 GGEERN COc1ccc(CNC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000246802378 1433669808 /nfs/dbraw/zinc/66/98/08/1433669808.db2.gz AZUHPAUZTALBFF-BZUAXINKSA-N 0 0 384.382 3.102 10 30 GGEERN COc1ccc(CNC(=O)[C@H](C#N)C(=O)[C@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000246802398 1433669828 /nfs/dbraw/zinc/66/98/28/1433669828.db2.gz AZUHPAUZTALBFF-OWCLPIDISA-N 0 0 384.382 3.102 10 30 GGEERN CC(=NNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000252642553 1433863652 /nfs/dbraw/zinc/86/36/52/1433863652.db2.gz ZNOYCKSWMMDCHW-UHFFFAOYSA-N 0 0 391.880 3.391 10 30 GGEERN CCCCn1c(N=NC(C)=CCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000253531967 1433868284 /nfs/dbraw/zinc/86/82/84/1433868284.db2.gz WJRCSOCSYNHPIQ-OTCIXKFVSA-N 0 0 380.452 3.137 10 30 GGEERN CCCCn1c(N=NC(C)=CCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000253531966 1433868318 /nfs/dbraw/zinc/86/83/18/1433868318.db2.gz WJRCSOCSYNHPIQ-KOTOMXDRSA-N 0 0 380.452 3.137 10 30 GGEERN C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cccc(C#Cc3ccccc3)c1)CS2 ZINC000253590452 1433869787 /nfs/dbraw/zinc/86/97/87/1433869787.db2.gz GQLDJJSUUQWGTB-KNQAVFIVSA-N 0 0 376.481 3.479 10 30 GGEERN O=S(=O)(c1ccc(N=Cc2ccc3ncccc3c2)cc1)N1CCOCC1 ZINC000254346521 1433871035 /nfs/dbraw/zinc/87/10/35/1433871035.db2.gz NDUZAXLYBWKQEH-UHFFFAOYSA-N 0 0 381.457 3.006 10 30 GGEERN C=CCNC(=S)NN=CC1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1 ZINC000254440443 1433871199 /nfs/dbraw/zinc/87/11/99/1433871199.db2.gz FVVFCYBUJHIITJ-IKMRVOFFSA-N 0 0 382.533 3.086 10 30 GGEERN CCOC(=O)C(=NNc1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000254502074 1433871412 /nfs/dbraw/zinc/87/14/12/1433871412.db2.gz WRBISAJXHGRSOW-UHFFFAOYSA-N 0 0 375.768 3.462 10 30 aggregator GGEERN CC(C)N1c2ccccc2C(=Nn2cnc3sc4c(c3c2=O)CCCC4)C1=O ZINC000254614834 1433871534 /nfs/dbraw/zinc/87/15/34/1433871534.db2.gz BBBDSOBJWKWNJD-UHFFFAOYSA-N 0 0 392.484 3.344 10 30 GGEERN CCOC(=O)c1sc2ncn(N=Cc3ccccc3Cl)c(=O)c2c1C ZINC000254625524 1433871536 /nfs/dbraw/zinc/87/15/36/1433871536.db2.gz WTAIHXZXVIGRPY-UHFFFAOYSA-N 0 0 375.837 3.479 10 30 GGEERN Cc1ccc(N=Cc2c(F)cccc2F)cc1S(=O)(=O)N1CCOCC1 ZINC000254705456 1433871672 /nfs/dbraw/zinc/87/16/72/1433871672.db2.gz ZZIFBLXVFKTDSX-UHFFFAOYSA-N 0 0 380.416 3.045 10 30 GGEERN CCCCN1C(=O)C(=NNC(=S)Nc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000254683155 1433871767 /nfs/dbraw/zinc/87/17/67/1433871767.db2.gz RBVZPSHCWUGFAT-UHFFFAOYSA-N 0 0 397.460 3.432 10 30 GGEERN Cc1ccc(NC(=O)C=NOCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000254738627 1433871816 /nfs/dbraw/zinc/87/18/16/1433871816.db2.gz FVZCAFCOIORWJU-UHFFFAOYSA-N 0 0 396.472 3.387 10 30 GGEERN CCOc1cccc(C2N=NC(=S)N2N=Cc2ccc(C(=O)OC)cc2)c1 ZINC000254760255 1433871862 /nfs/dbraw/zinc/87/18/62/1433871862.db2.gz XKMXLJPKUZIOTC-UHFFFAOYSA-N 0 0 382.445 3.301 10 30 GGEERN Cc1ccc(N=C2SCCCN2C(=O)CCN2C(=O)CCC2=O)cc1Cl ZINC000254765431 1433872008 /nfs/dbraw/zinc/87/20/08/1433872008.db2.gz PYXJREVXBGUUNO-UHFFFAOYSA-N 0 0 393.896 3.141 10 30 GGEERN CCCCN1c2ccccc2C(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000254905603 1433872244 /nfs/dbraw/zinc/87/22/44/1433872244.db2.gz YDYVKAYAHJZKQK-UHFFFAOYSA-N 0 0 383.364 3.466 10 30 GGEERN COCCN=c1scc(C)n1N=Cc1cc(Br)ccc1OC ZINC000254868986 1433872307 /nfs/dbraw/zinc/87/23/07/1433872307.db2.gz YWQQQHRYDGYYND-UHFFFAOYSA-N 0 0 384.299 3.058 10 30 GGEERN O=C(NCCNC(=O)C1N=CC=CC1=O)Nc1cccc(-c2cccs2)c1 ZINC000255054117 1433874991 /nfs/dbraw/zinc/87/49/91/1433874991.db2.gz FICLZLZWKDCQIH-ISLYRVAYSA-N 0 0 382.445 3.063 10 30 GGEERN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)S/C1=N/CCc1ccccn1 ZINC000255612890 1433886383 /nfs/dbraw/zinc/88/63/83/1433886383.db2.gz CCJAGTDHMPMKPA-QCLNCQLRSA-N 0 0 396.516 3.281 10 30 GGEERN N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NC2CC(c3ccccc3)C2)c1 ZINC000264004374 1434060834 /nfs/dbraw/zinc/06/08/34/1434060834.db2.gz FOXOAHNHZUTGCA-UHFFFAOYSA-N 0 0 385.370 3.161 10 30 GGEERN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N(C)Cc1nccn1CC(F)(F)F ZINC000264047233 1434066115 /nfs/dbraw/zinc/06/61/15/1434066115.db2.gz GPELHHUMUIVYDQ-SWKXRBFHSA-N 0 0 399.461 3.197 10 30 GGEERN C#CCOc1ccccc1CNC(=O)N1CCC(NC(=O)CCCCC)CC1 ZINC000265131979 1434188632 /nfs/dbraw/zinc/18/86/32/1434188632.db2.gz HESSJWZTTRFIKE-UHFFFAOYSA-N 0 0 385.508 3.069 10 30 GGEERN C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000266803466 1434377278 /nfs/dbraw/zinc/37/72/78/1434377278.db2.gz HEJIURRYQMULGW-NUMWXTGKSA-N 0 0 395.381 3.141 10 30 GGEERN O=C(CCNC(=O)C1N=CC=CC1=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000267928797 1434478071 /nfs/dbraw/zinc/47/80/71/1434478071.db2.gz FFOFSTDAOWDDFZ-MSUUIHNZSA-N 0 0 381.354 3.037 10 30 GGEERN CCCCCC(=O)NC1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000272278795 1434883822 /nfs/dbraw/zinc/88/38/22/1434883822.db2.gz FIQCWOVSFXEWSA-OAQYLSRUSA-N 0 0 396.535 3.215 10 30 GGEERN N#Cc1cccc(OCCCCC(=O)NCc2ccc(N3CCOC3=O)cc2)c1 ZINC000272813602 1434933110 /nfs/dbraw/zinc/93/31/10/1434933110.db2.gz GTMFLCGHINQASO-UHFFFAOYSA-N 0 0 393.443 3.380 10 30 GGEERN COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CCCCC(=O)N2)cc1 ZINC000279167776 1435466874 /nfs/dbraw/zinc/46/68/74/1435466874.db2.gz GUFAOTSLIQFDNT-KRWDZBQOSA-N 0 0 379.416 3.356 10 30 GGEERN C=C(C)CN(Cc1ccccc1)C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12 ZINC000279592760 1435516677 /nfs/dbraw/zinc/51/66/77/1435516677.db2.gz ARGYWABTRABKHN-WSTZPKSXSA-N 0 0 387.549 3.317 10 30 GGEERN CCCOc1c(Cl)cc(/C=N/OCc2nnc3n2CCOC3)cc1OCC ZINC000280491555 1435669300 /nfs/dbraw/zinc/66/93/00/1435669300.db2.gz BEPGYDXLAJJYKD-KEBDBYFISA-N 0 0 394.859 3.200 10 30 GGEERN Cc1cc(F)ccc1N(Cc1nnc2n1CCOC2)Cc1cccc(C#N)c1 ZINC000280783952 1435720113 /nfs/dbraw/zinc/72/01/13/1435720113.db2.gz BMSCVSYGEVTHDE-UHFFFAOYSA-N 0 0 377.423 3.334 10 30 GGEERN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)C(C)(C)OC ZINC000280855585 1435731341 /nfs/dbraw/zinc/73/13/41/1435731341.db2.gz AKYYSTLWBSJLDK-UHFFFAOYSA-N 0 0 375.494 3.438 10 30 GGEERN Cc1nc(S(=O)(=O)CCCC2(C#N)CCOCC2)[nH]c1Cc1ccccc1 ZINC000281718874 1435819327 /nfs/dbraw/zinc/81/93/27/1435819327.db2.gz BZEWTCNSYHNJEZ-UHFFFAOYSA-N 0 0 387.505 3.183 10 30 GGEERN C=CCn1c([C@H](C)OCCOC)nnc1N1CCN(c2cc(C)ccc2C)CC1 ZINC000282203955 1435838315 /nfs/dbraw/zinc/83/83/15/1435838315.db2.gz HGMIMYWIDCUVEZ-IBGZPJMESA-N 0 0 399.539 3.132 10 30 GGEERN C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@H]1CCOC1 ZINC000282934719 1435866722 /nfs/dbraw/zinc/86/67/22/1435866722.db2.gz HCWBKOTWOFVSEO-OLZOCXBDSA-N 0 0 377.851 3.370 10 30 GGEERN C[C@@H](C#N)CN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1CCOC1 ZINC000283284909 1435882745 /nfs/dbraw/zinc/88/27/45/1435882745.db2.gz GSIFFBCIFURCBR-GJZGRUSLSA-N 0 0 389.887 3.143 10 30 GGEERN COc1ccc(C[NH2+][C@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])cc1C#N ZINC000864527970 1126113752 /nfs/dbraw/zinc/11/37/52/1126113752.db2.gz KNLYASTVBDBTMH-MRXNPFEDSA-N 0 0 394.349 3.251 10 30 GGEERN N#CCCn1cc(/C=C/C(=O)N2CCN(Cc3ccncc3)CC2)c2ccccc21 ZINC000023846339 230911435 /nfs/dbraw/zinc/91/14/35/230911435.db2.gz BXUPWEMNVKADSN-VOTSOKGWSA-N 0 0 399.498 3.308 10 30 GGEERN Cc1ccc([C@H](NC(=O)CSc2ncc(C#N)c(N)n2)c2cccs2)cc1 ZINC000017669894 210209862 /nfs/dbraw/zinc/20/98/62/210209862.db2.gz FNDHLXIWMUWPSJ-KRWDZBQOSA-N 0 0 395.513 3.298 10 30 GGEERN Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(N3CCCC3=O)cc2)n1 ZINC000017728595 210208959 /nfs/dbraw/zinc/20/89/59/210208959.db2.gz YKGGIQGMRBJHMP-UHFFFAOYSA-N 0 0 380.473 3.428 10 30 GGEERN Cc1nn2c(nc(N(C)CCCc3[nH]nc(N)c3C#N)c3ccccc32)c1Cl ZINC000016737821 210194202 /nfs/dbraw/zinc/19/42/02/210194202.db2.gz LUOOKZVHJTZMAM-UHFFFAOYSA-N 0 0 394.870 3.090 10 30 GGEERN COc1ccc(C(=O)N/C(=N/c2ccccc2)NCc2ccccn2)cc1OC ZINC000015828032 210173291 /nfs/dbraw/zinc/17/32/91/210173291.db2.gz FWKCVDJLPZNSPN-UHFFFAOYSA-N 0 0 390.443 3.306 10 30 GGEERN COc1cccc(C(=O)N/C(=N/c2ccc(F)cc2)NCc2ccncc2)c1 ZINC000015729812 210165020 /nfs/dbraw/zinc/16/50/20/210165020.db2.gz INHYEBJRKWHFEM-UHFFFAOYSA-N 0 0 378.407 3.437 10 30 GGEERN Cc1ccc(NC(=O)C=C(N)NOC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000014075001 210102285 /nfs/dbraw/zinc/10/22/85/210102285.db2.gz ZBPZGKCVYKJARU-UHFFFAOYSA-N 0 0 379.338 3.472 10 30 GGEERN C=CCn1c(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nc2ccsc2c1=O ZINC000014019086 210100549 /nfs/dbraw/zinc/10/05/49/210100549.db2.gz XMEUXFMEVOKBPY-XIKOKIGWSA-N 0 0 390.534 3.179 10 30 GGEERN C=CCn1c(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)nc2ccsc2c1=O ZINC000014019089 210099943 /nfs/dbraw/zinc/09/99/43/210099943.db2.gz XMEUXFMEVOKBPY-KZULUSFZSA-N 0 0 390.534 3.179 10 30 GGEERN C=CCn1c(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nc2ccsc2c1=O ZINC000014019092 210099373 /nfs/dbraw/zinc/09/93/73/210099373.db2.gz XMEUXFMEVOKBPY-SGTLLEGYSA-N 0 0 390.534 3.179 10 30 GGEERN COc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(C(F)(F)F)nn32)cc1OC ZINC000013123711 210052064 /nfs/dbraw/zinc/05/20/64/210052064.db2.gz GBDKBLGCKLTLFE-OAHLLOKOSA-N 0 0 394.353 3.336 10 30 GGEERN COc1ccc(CN2CCN(C(=O)/C=C/c3ccc(C#N)cc3)CC2)cc1F ZINC000013006092 210046428 /nfs/dbraw/zinc/04/64/28/210046428.db2.gz NYJQANDPLUEURR-VQHVLOKHSA-N 0 0 379.435 3.064 10 30 GGEERN CC(C)[C@H](NS(=O)(=O)c1ccccc1C#N)c1ccc2c(c1)OCCCO2 ZINC000012991718 210041603 /nfs/dbraw/zinc/04/16/03/210041603.db2.gz YORHMCWRXOINEN-FQEVSTJZSA-N 0 0 386.473 3.395 10 30 GGEERN N#Cc1c(SCC(=O)NC[C@H]2CCCO2)nc2c(c1-c1ccco1)CCCC2 ZINC000012968930 210036825 /nfs/dbraw/zinc/03/68/25/210036825.db2.gz ZYHIIGFUJFHCOB-CQSZACIVSA-N 0 0 397.500 3.479 10 30 GGEERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000012884340 210022382 /nfs/dbraw/zinc/02/23/82/210022382.db2.gz SXFAFYNLVPZGPU-CYBMUJFWSA-N 0 0 397.456 3.145 10 30 GGEERN C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(Cc2cn3ccccc3c2C#N)C1=O ZINC000012853113 210018048 /nfs/dbraw/zinc/01/80/48/210018048.db2.gz ABMQKANTNXXDER-HXUWFJFHSA-N 0 0 380.354 3.056 10 30 GGEERN COc1cc(C#N)cc(Cl)c1OCC(=O)Nc1ccc2c(c1)CCN2C(C)=O ZINC000012847075 210016224 /nfs/dbraw/zinc/01/62/24/210016224.db2.gz AXOIHUREWZWGTL-UHFFFAOYSA-N 0 0 399.834 3.147 10 30 GGEERN C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2cccc(Br)c2)C1=O ZINC000012780482 210007877 /nfs/dbraw/zinc/00/78/77/210007877.db2.gz FSWCBCSATPRQQX-SFHVURJKSA-N 0 0 384.233 3.288 10 30 GGEERN COC(=O)C1=C(C)N(c2cccc([N+](=O)[O-])c2)C(=O)N[C@H]1c1cccc(C#N)c1 ZINC000012786559 210008919 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COc1ccc(/C=N/OC(=O)c2sc3nc(C(F)(F)F)nn3c2C)cc1 ZINC000001032042 209290037 /nfs/dbraw/zinc/29/00/37/209290037.db2.gz QNWUDGIKLTXNIX-FBCYGCLPSA-N 0 0 384.339 3.318 10 30 GGEERN N#Cc1cccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)c2cn[nH]c2)c1 ZINC000084374607 209234939 /nfs/dbraw/zinc/23/49/39/209234939.db2.gz GNFUGHJJSBWBDP-UHFFFAOYSA-N 0 0 390.827 3.469 10 30 GGEERN C=CCn1c(COC)nnc1SCc1ccccc1C(=O)NCc1ccco1 ZINC000085410547 209235047 /nfs/dbraw/zinc/23/50/47/209235047.db2.gz MAJALCDMPPWKDF-UHFFFAOYSA-N 0 0 398.488 3.426 10 30 GGEERN C[C@@H]1C[C@H]2O[C@H]2C[C@H]1COC(=O)CCCCC(=O)OC[C@H]1C[C@H]2O[C@H]2C[C@H]1C ZINC000255985634 209222394 /nfs/dbraw/zinc/22/23/94/209222394.db2.gz LMMDJMWIHPEQSJ-GCSNKARASA-N 0 0 394.508 3.260 10 30 GGEERN Cn1c2ccccc2nc1C(C#N)=C1C(=O)N(c2ccccc2)C(=O)C1Cl ZINC000004005270 209189840 /nfs/dbraw/zinc/18/98/40/209189840.db2.gz LCWAXFDFQCIKKI-CYBMUJFWSA-N 0 0 376.803 3.247 10 30 GGEERN C=CCOc1ccccc1CN1CCc2nc(-c3ccc(C(N)=O)cc3)[nH]c2C1 ZINC000219821192 209187309 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C=CCN(C(=O)CSc1nnnn1C1CC1)c1nc(-c2ccccc2)cs1 ZINC000008232177 209161411 /nfs/dbraw/zinc/16/14/11/209161411.db2.gz ZOKUPMCDUNGABL-UHFFFAOYSA-N 0 0 398.517 3.443 10 30 GGEERN CC1(c2cc(N3CCN(c4nc(C(F)(F)F)ccc4C#N)CC3)n[nH]2)CC1 ZINC000225814480 211929287 /nfs/dbraw/zinc/92/92/87/211929287.db2.gz LPHRUOLUOKBUAL-UHFFFAOYSA-N 0 0 376.386 3.073 10 30 GGEERN N#Cc1cc(Cl)cc(Br)c1N1CCN(c2cnccn2)CC1 ZINC000225650427 211912886 /nfs/dbraw/zinc/91/28/86/211912886.db2.gz ZFHDMHAQNNXTKG-UHFFFAOYSA-N 0 0 378.661 3.091 10 30 GGEERN C=CCOc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000007246427 209144533 /nfs/dbraw/zinc/14/45/33/209144533.db2.gz SZHXUQMTJTUCJB-UHFFFAOYSA-N 0 0 389.473 3.233 10 30 GGEERN C=CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)N(C(C)=O)C[C@H](C)O2 ZINC000006859611 209141661 /nfs/dbraw/zinc/14/16/61/209141661.db2.gz VVLFKSLTTSDUJM-HNNXBMFYSA-N 0 0 386.473 3.202 10 30 GGEERN C=CCOc1ccc(/C=C2\C(=O)N=C3SN=C(SC)N3C2=N)cc1OC ZINC000004825845 209139917 /nfs/dbraw/zinc/13/99/17/209139917.db2.gz JPADPTGMQFPJHB-GXGXXEIJSA-N 0 0 388.474 3.200 10 30 GGEERN C=CCN1C(=O)c2ccc(C(=O)Nc3cc(OC)c(OC)cc3C)cc2C1=O ZINC000006258976 209142295 /nfs/dbraw/zinc/14/22/95/209142295.db2.gz SZQXIOXHTQTEEN-UHFFFAOYSA-N 0 0 380.400 3.047 10 30 GGEERN C=CCN1C2=C(C(=O)N(Cc3ccc(F)cc3)C2)[C@@H](c2ccccc2)NC1=O ZINC000004346578 209138143 /nfs/dbraw/zinc/13/81/43/209138143.db2.gz CTFXYDSMQUBPHO-HXUWFJFHSA-N 0 0 377.419 3.375 10 30 GGEERN C=CCN1C2=C(C(=O)N(CCC(C)C)C2)[C@H](c2cc(OC)cc(OC)c2)NC1=O ZINC000004345109 209137892 /nfs/dbraw/zinc/13/78/92/209137892.db2.gz BLRYWDMWGBVTLI-FQEVSTJZSA-N 0 0 399.491 3.099 10 30 GGEERN N#Cc1c(SCC(N)=O)nc2c(c1-c1cccs1)-c1ccccc1C2=O ZINC000004648838 211548034 /nfs/dbraw/zinc/54/80/34/211548034.db2.gz MPIIPBAEFRNROG-UHFFFAOYSA-N 0 0 377.450 3.471 10 30 GGEERN COc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N\c3ccccc3OC)S2)cc1 ZINC000100361211 211387568 /nfs/dbraw/zinc/38/75/68/211387568.db2.gz PKRYKQPEBGPGAA-XGIGFIBQSA-N 0 0 399.472 3.294 10 30 GGEERN CC(C)C(=O)NCc1csc([C@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2)n1 ZINC000096372757 211335812 /nfs/dbraw/zinc/33/58/12/211335812.db2.gz WYKZWGQBLRAFLU-KRWDZBQOSA-N 0 0 396.516 3.307 10 30 GGEERN N#Cc1ccc(-c2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)no2)cc1 ZINC000096321994 211335281 /nfs/dbraw/zinc/33/52/81/211335281.db2.gz GEUYWXDZJCXTRH-UHFFFAOYSA-N 0 0 394.456 3.450 10 30 GGEERN Cc1ccccc1OCCN(C)S(=O)(=O)Cc1ccc(Cl)cc1C#N ZINC000095993333 211293179 /nfs/dbraw/zinc/29/31/79/211293179.db2.gz YCHSMXPZDMIHEY-UHFFFAOYSA-N 0 0 378.881 3.361 10 30 GGEERN CO[C@@H]1CCN(Cc2ccc(F)cc2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000096006539 211293266 /nfs/dbraw/zinc/29/32/66/211293266.db2.gz AOXODUKPSCHDKW-QZTJIDSGSA-N 0 0 377.460 3.201 10 30 GGEERN N#Cc1ccc(-c2cccn3nc(Nc4cnn(C[C@@H]5CCCO5)c4)nc23)cc1 ZINC000095616926 211282719 /nfs/dbraw/zinc/28/27/19/211282719.db2.gz XHCPXDAZLQCZDG-SFHVURJKSA-N 0 0 385.431 3.387 10 30 GGEERN COc1ccccc1/N=C1/S[C@@H](C(=O)Nc2ccc(F)cc2)CC(=O)N1C ZINC000095545664 211276675 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COc1ccc(-c2ncccc2CNS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000065171512 210971207 /nfs/dbraw/zinc/97/12/07/210971207.db2.gz NZHJJSJYHGYZOU-UHFFFAOYSA-N 0 0 379.441 3.107 10 30 GGEERN Cc1oc(NC(=O)CN2CCN(CCSc3ccccc3)CC2)c(C#N)c1C ZINC000047273386 210840078 /nfs/dbraw/zinc/84/00/78/210840078.db2.gz YMWWWSQUSCXMOR-UHFFFAOYSA-N 0 0 398.532 3.117 10 30 GGEERN COCCOc1cc2ncnc(Nc3cccc(C#N)c3)c2cc1OCCOC ZINC000040874063 210796750 /nfs/dbraw/zinc/79/67/50/210796750.db2.gz QJIHCROKGYMFNF-UHFFFAOYSA-N 0 0 394.431 3.295 10 30 GGEERN Cc1c(C(=O)Nc2ccc(Cl)cc2)oc2c1/C(=N/NC(N)=S)CCC2 ZINC000040824570 210794648 /nfs/dbraw/zinc/79/46/48/210794648.db2.gz HODQCOIBPCVIGD-CIAFOILYSA-N 0 0 376.869 3.367 10 30 GGEERN Cc1c(C(=O)N2CCOCC2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000040814730 210794438 /nfs/dbraw/zinc/79/44/38/210794438.db2.gz BUFXENFTMOMISV-CJLVFECKSA-N 0 0 398.419 3.121 10 30 GGEERN C=CCN(CC(=O)Nc1c(C)cccc1C)S(=O)(=O)c1ccc(F)cc1 ZINC000003340284 210782175 /nfs/dbraw/zinc/78/21/75/210782175.db2.gz 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CSC(=NS(=O)(=O)c1cccs1)Nc1ccc(N2CCOCC2)cc1 ZINC000018101803 525285977 /nfs/dbraw/zinc/28/59/77/525285977.db2.gz RXWYXPLYWSMJAN-UHFFFAOYSA-N 0 0 397.547 3.105 10 30 GGEERN C[C@]1(n2cc(/C=C\C(=O)c3cccc(C(F)(F)F)c3)cn2)CCS(=O)(=O)C1 ZINC000098056625 525341911 /nfs/dbraw/zinc/34/19/11/525341911.db2.gz YMUUKZHZXVHEBY-OSJSJHBBSA-N 0 0 398.406 3.332 10 30 GGEERN Cc1[nH]nc(C(N)=O)c1N=Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000098209990 525474471 /nfs/dbraw/zinc/47/44/71/525474471.db2.gz YXOZFPOHFITBKF-AUEPDCJTSA-N 0 0 388.431 3.103 10 30 GGEERN Cc1ccc(-c2csc(C3=C(N)N(C[C@H](O)c4ccccc4)CC3=O)n2)cc1 ZINC000007002387 525778620 /nfs/dbraw/zinc/77/86/20/525778620.db2.gz GPJBTGCUHDTTNP-SFHVURJKSA-N 0 0 391.496 3.364 10 30 GGEERN COc1cccc(/N=C2\NN=C(c3cc4c(cc3F)NC(=O)CC4)CS2)c1 ZINC000055048308 525779421 /nfs/dbraw/zinc/77/94/21/525779421.db2.gz RAGWPFFIINLEQX-UHFFFAOYSA-N 0 0 384.436 3.447 10 30 GGEERN Cc1ccc(C(=O)N2CC[C@]3(C2)Nc2cccnc2NC3=NC2CCCC2)cn1 ZINC000096310011 526131481 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C=CCN(Cc1nnc(-c2ccc(C)cc2)o1)S(=O)(=O)c1cccs1 ZINC000120076399 564304145 /nfs/dbraw/zinc/30/41/45/564304145.db2.gz UVMPSDCOOAVUMW-UHFFFAOYSA-N 0 0 375.475 3.483 10 30 GGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)CNC(=O)c1ccc(OC)cc1 ZINC000120326215 564315754 /nfs/dbraw/zinc/31/57/54/564315754.db2.gz JNEMBSCQLYMONN-UHFFFAOYSA-N 0 0 378.881 3.355 10 30 GGEERN N#Cc1ccsc1NC(=O)CN1CCN(Cc2ccc(Cl)s2)CC1 ZINC000023083253 564322255 /nfs/dbraw/zinc/32/22/55/564322255.db2.gz OZJOUKRSJKQPAW-UHFFFAOYSA-N 0 0 380.926 3.091 10 30 GGEERN C=CC1CCN(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CC1 ZINC000120507768 564323910 /nfs/dbraw/zinc/32/39/10/564323910.db2.gz IBMFAXSGANTOCE-UHFFFAOYSA-N 0 0 390.285 3.342 10 30 GGEERN C=CCN(CC=C)C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000120511106 564324200 /nfs/dbraw/zinc/32/42/00/564324200.db2.gz VFKXZKGZIGPQFY-UHFFFAOYSA-N 0 0 376.258 3.118 10 30 GGEERN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NC1(C#N)CCCCC1 ZINC000120655707 564330877 /nfs/dbraw/zinc/33/08/77/564330877.db2.gz 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Cc1nn(C)c(C)c1[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000106368492 564982645 /nfs/dbraw/zinc/98/26/45/564982645.db2.gz NMWIRJQLXOHACK-MRXNPFEDSA-N 0 0 378.885 3.088 10 30 GGEERN N#CCC[C@@H](NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000153128716 564985018 /nfs/dbraw/zinc/98/50/18/564985018.db2.gz LOHLKRUNYHECBO-QGZVFWFLSA-N 0 0 376.865 3.275 10 30 GGEERN N#CCC[C@H](NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000153128827 564985908 /nfs/dbraw/zinc/98/59/08/564985908.db2.gz LOHLKRUNYHECBO-KRWDZBQOSA-N 0 0 376.865 3.275 10 30 GGEERN COc1ccc(CN(c2cccc(Br)c2)S(C)(=O)=O)cc1C#N ZINC000153243231 564988962 /nfs/dbraw/zinc/98/89/62/564988962.db2.gz HCKULINUHJSGPE-UHFFFAOYSA-N 0 0 395.278 3.296 10 30 GGEERN COc1ccc(CN(C)S(=O)(=O)c2ccccc2Br)cc1C#N ZINC000153316628 564991020 /nfs/dbraw/zinc/99/10/20/564991020.db2.gz RFRYEDYSBCYMLT-UHFFFAOYSA-N 0 0 395.278 3.150 10 30 GGEERN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NC1(C#N)CCCC1 ZINC000107249395 564997467 /nfs/dbraw/zinc/99/74/67/564997467.db2.gz 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CN(CCc1ccc(F)cc1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155140640 565062459 /nfs/dbraw/zinc/06/24/59/565062459.db2.gz NZPQLYBYPRRPLJ-UHFFFAOYSA-N 0 0 397.269 3.323 10 30 GGEERN CCN(CCc1nccs1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000155368787 565066690 /nfs/dbraw/zinc/06/66/90/565066690.db2.gz YTCDMJYBNJQZMQ-UHFFFAOYSA-N 0 0 389.424 3.287 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)NCc1cccc(C)c1 ZINC000155372888 565066845 /nfs/dbraw/zinc/06/68/45/565066845.db2.gz JWYQBYRUDXADCL-UHFFFAOYSA-N 0 0 389.249 3.333 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)Nc1cccc(C#N)c1 ZINC000155384327 565066918 /nfs/dbraw/zinc/06/69/18/565066918.db2.gz ISADSXYECUEGFU-UHFFFAOYSA-N 0 0 386.205 3.219 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)NCc1ccccc1F ZINC000155374566 565067011 /nfs/dbraw/zinc/06/70/11/565067011.db2.gz SBBSGPPGIZSAOS-UHFFFAOYSA-N 0 0 393.212 3.164 10 30 GGEERN C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000112910703 565067090 /nfs/dbraw/zinc/06/70/90/565067090.db2.gz 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/nfs/dbraw/zinc/07/50/48/565075048.db2.gz VHDPPWQEEWEZAA-UHFFFAOYSA-N 0 0 380.853 3.097 10 30 GGEERN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)c1ccc2c(c1)OCCO2 ZINC000156181752 565075680 /nfs/dbraw/zinc/07/56/80/565075680.db2.gz MEBCELDYXHAHJG-LLVKDONJSA-N 0 0 378.837 3.022 10 30 GGEERN C[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)c1ccc2c(c1)OCCO2 ZINC000156181887 565075695 /nfs/dbraw/zinc/07/56/95/565075695.db2.gz QGKQXDNRYIMSEG-NSHDSACASA-N 0 0 378.837 3.022 10 30 GGEERN CCOc1ccc(Br)cc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000369218300 565080905 /nfs/dbraw/zinc/08/09/05/565080905.db2.gz HJLTYKPMGLCLQJ-CQSZACIVSA-N 0 0 393.285 3.052 10 30 GGEERN N#Cc1cccnc1-n1cc(NC(=O)Cc2ccc(Br)cc2)cn1 ZINC000183646512 565085182 /nfs/dbraw/zinc/08/51/82/565085182.db2.gz QZLKIKMVNXVOSV-UHFFFAOYSA-N 0 0 382.221 3.083 10 30 GGEERN N#Cc1cccnc1-n1cc(NC(=O)Cc2ccc(Br)s2)cn1 ZINC000183656450 565085885 /nfs/dbraw/zinc/08/58/85/565085885.db2.gz SLQJYTPQWSSVRH-UHFFFAOYSA-N 0 0 388.250 3.144 10 30 GGEERN N#Cc1cccnc1-n1cc(NC(=O)Cc2ccccc2Br)cn1 ZINC000183657672 565086334 /nfs/dbraw/zinc/08/63/34/565086334.db2.gz FZKRNBGLYGHVPH-UHFFFAOYSA-N 0 0 382.221 3.083 10 30 GGEERN N#Cc1cccnc1-n1cc(NC(=O)CCc2ccc(Br)cc2)cn1 ZINC000183656179 565086344 /nfs/dbraw/zinc/08/63/44/565086344.db2.gz ZOLCZWZAILQKQU-UHFFFAOYSA-N 0 0 396.248 3.473 10 30 GGEERN COc1cc(Br)ccc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183696478 565088760 /nfs/dbraw/zinc/08/87/60/565088760.db2.gz SNUPELULLYPKEM-UHFFFAOYSA-N 0 0 398.220 3.162 10 30 GGEERN N#Cc1cccnc1-n1cc(NC(=O)c2ccc(Br)c(F)c2)cn1 ZINC000183691801 565088811 /nfs/dbraw/zinc/08/88/11/565088811.db2.gz RQXQPUZYNUTUFV-UHFFFAOYSA-N 0 0 386.184 3.293 10 30 GGEERN C=CC[C@H](CO)NC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000183868332 565099532 /nfs/dbraw/zinc/09/95/32/565099532.db2.gz LOUCEQUNOVLRQZ-QGZVFWFLSA-N 0 0 386.323 3.194 10 30 GGEERN CC(C)[C@](C)(C#N)NC(=O)c1ncc(Br)cc1Br ZINC000183895795 565100918 /nfs/dbraw/zinc/10/09/18/565100918.db2.gz PSPWDNSXGQYTIX-LBPRGKRZSA-N 0 0 375.064 3.275 10 30 GGEERN CCS(=O)(=O)c1ccc(CC(=O)N(C)c2cc(Cl)ccc2C#N)cc1 ZINC000156937874 565111554 /nfs/dbraw/zinc/11/15/54/565111554.db2.gz GCGGTZYVJAZZNO-UHFFFAOYSA-N 0 0 376.865 3.211 10 30 GGEERN C[C@@](C#N)(NC(=O)CN1CCC[C@H]1c1ccc(Br)s1)C1CC1 ZINC000369908673 565118489 /nfs/dbraw/zinc/11/84/89/565118489.db2.gz AMJYMPISSYUDEB-LRDDRELGSA-N 0 0 382.327 3.456 10 30 GGEERN C=CCOCCn1cc(C(=O)OCC)c(=O)c2ccc(Br)cc21 ZINC000292697505 565129117 /nfs/dbraw/zinc/12/91/17/565129117.db2.gz QJLSRQOVJWDOFY-UHFFFAOYSA-N 0 0 380.238 3.143 10 30 GGEERN COC(=O)c1cc(Br)cc(NC(=O)c2ccc(C#N)nc2)c1Cl ZINC000157461018 565132862 /nfs/dbraw/zinc/13/28/62/565132862.db2.gz UHPDEJJEXNDHEB-UHFFFAOYSA-N 0 0 394.612 3.408 10 30 GGEERN N#C[C@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000370257530 565135725 /nfs/dbraw/zinc/13/57/25/565135725.db2.gz RCYCKEONJGBAIG-KGLIPLIRSA-N 0 0 377.447 3.117 10 30 GGEERN COC(=O)c1cc(Br)cc(NC(=O)c2cc(C#N)cn2C)c1Cl ZINC000157561696 565137490 /nfs/dbraw/zinc/13/74/90/565137490.db2.gz FMTHEPHSKBECLO-UHFFFAOYSA-N 0 0 396.628 3.352 10 30 GGEERN C[C@H]1[C@@H](c2ccc(Br)cc2)OCCN1C(=O)c1cc(C#N)cn1C ZINC000157643033 565139434 /nfs/dbraw/zinc/13/94/34/565139434.db2.gz CEYDNIXWFYUKFX-SJCJKPOMSA-N 0 0 388.265 3.261 10 30 GGEERN C[C@@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)c1cc(C#N)cn1C ZINC000157642654 565139500 /nfs/dbraw/zinc/13/95/00/565139500.db2.gz CEYDNIXWFYUKFX-SJKOYZFVSA-N 0 0 388.265 3.261 10 30 GGEERN N#Cc1ccccc1S(=O)(=O)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000157770627 565143945 /nfs/dbraw/zinc/14/39/45/565143945.db2.gz CSTMRQQIHFXJQP-UHFFFAOYSA-N 0 0 376.865 3.196 10 30 GGEERN CS(=O)(=O)c1cc(Br)ccc1NC(=O)c1sccc1C#N ZINC000157878791 565147739 /nfs/dbraw/zinc/14/77/39/565147739.db2.gz AAWPLBXMLSORCM-UHFFFAOYSA-N 0 0 385.264 3.038 10 30 GGEERN N#C[C@@H]1CN(C(=O)Nc2cc3c(cc2Br)CCC3)CCN1C1CC1 ZINC000370639702 565152656 /nfs/dbraw/zinc/15/26/56/565152656.db2.gz JSPZDKXJVCAKKL-OAHLLOKOSA-N 0 0 389.297 3.142 10 30 GGEERN COc1cc(C#N)ccc1S(=O)(=O)N(C)c1ccc(Br)cc1F ZINC000184821501 565157481 /nfs/dbraw/zinc/15/74/81/565157481.db2.gz IXGJQRGGSYXHMW-UHFFFAOYSA-N 0 0 399.241 3.294 10 30 GGEERN C=CC[C@H](CO)NC(=O)Nc1cc(C(=O)OC(C)(C)C)ccc1Br ZINC000184828534 565158455 /nfs/dbraw/zinc/15/84/55/565158455.db2.gz WULVUUXJDVPXBG-GFCCVEGCSA-N 0 0 399.285 3.463 10 30 GGEERN N#Cc1cc(S(=O)(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)ccc1Cl ZINC000158246856 565162641 /nfs/dbraw/zinc/16/26/41/565162641.db2.gz NNWYIRKXUMMMGZ-OAHLLOKOSA-N 0 0 378.837 3.180 10 30 GGEERN CCN(CC)S(=O)(=O)c1ccc(SCc2ccc(F)c(C#N)c2)nc1 ZINC000158290648 565163986 /nfs/dbraw/zinc/16/39/86/565163986.db2.gz BDAFQSXKFMWKMN-UHFFFAOYSA-N 0 0 379.482 3.415 10 30 GGEERN C=CCC(F)(F)C(=O)NCc1csc(N(C)C(=O)C(F)(F)CC=C)n1 ZINC000293402228 565165458 /nfs/dbraw/zinc/16/54/58/565165458.db2.gz MNNXRLQWUSQUEQ-UHFFFAOYSA-N 0 0 379.379 3.145 10 30 GGEERN C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)N1CCC[C@H]1C ZINC000184951135 565167175 /nfs/dbraw/zinc/16/71/75/565167175.db2.gz 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/nfs/dbraw/zinc/20/28/38/565202838.db2.gz KFRTYBSWULRAJD-UHFFFAOYSA-N 0 0 385.250 3.338 10 30 GGEERN N#CCSCC(=O)N1CCC[C@@H]1c1ccccc1I ZINC000371679116 565204410 /nfs/dbraw/zinc/20/44/10/565204410.db2.gz JPSDQCSXXKIXNM-CYBMUJFWSA-N 0 0 386.258 3.211 10 30 GGEERN CCN(C[C@H]1CCN(C(=O)Nc2snc(C)c2C#N)C1)CC(F)(F)F ZINC000294273365 565206381 /nfs/dbraw/zinc/20/63/81/565206381.db2.gz SBIITCRMMBZJDD-LLVKDONJSA-N 0 0 375.420 3.061 10 30 GGEERN C=C(C)C[C@H](C)C(=O)NCCCNC(=O)c1cc(OC)ccc1Br ZINC000185515481 565206390 /nfs/dbraw/zinc/20/63/90/565206390.db2.gz JWJKUNNCABOCRT-ZDUSSCGKSA-N 0 0 397.313 3.296 10 30 GGEERN C=CC[C@@H](CO)NC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000185682543 565216133 /nfs/dbraw/zinc/21/61/33/565216133.db2.gz YAMFXYRIZNHZID-LBPRGKRZSA-N 0 0 379.463 3.178 10 30 GGEERN C=C(C)C[C@@H](C)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000185696523 565216407 /nfs/dbraw/zinc/21/64/07/565216407.db2.gz ZTPIEISXLBJHMQ-OAHLLOKOSA-N 0 0 384.567 3.184 10 30 GGEERN 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/nfs/dbraw/zinc/42/75/11/565427511.db2.gz IJIRXNSVNZRENN-HNNXBMFYSA-N 0 0 399.292 3.118 10 30 GGEERN CCn1c(SCC(=O)Nc2snc(C)c2C#N)nnc1-c1cccs1 ZINC000298792951 565428760 /nfs/dbraw/zinc/42/87/60/565428760.db2.gz WRHSZFZBQCUGGY-UHFFFAOYSA-N 0 0 390.519 3.394 10 30 GGEERN C#CCCCS(=O)(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000376262899 565428840 /nfs/dbraw/zinc/42/88/40/565428840.db2.gz ACDPCUOREOKKGN-UHFFFAOYSA-N 0 0 375.519 3.128 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)s1 ZINC000376327888 565431511 /nfs/dbraw/zinc/43/15/11/565431511.db2.gz NKGUIRPNXDNPOA-ZDUSSCGKSA-N 0 0 378.479 3.186 10 30 GGEERN Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1ccc(Br)cc1C#N ZINC000376524532 565440431 /nfs/dbraw/zinc/44/04/31/565440431.db2.gz GOBPVUYRRNAMDV-KRWDZBQOSA-N 0 0 389.297 3.245 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCC(Cc3ccccn3)CC2)cc1Cl ZINC000171642361 565440825 /nfs/dbraw/zinc/44/08/25/565440825.db2.gz CPBFTLZQEUINQH-UHFFFAOYSA-N 0 0 375.881 3.250 10 30 GGEERN COC(=O)CCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000171751381 565448364 /nfs/dbraw/zinc/44/83/64/565448364.db2.gz FFLJLWCINOWTJK-UHFFFAOYSA-N 0 0 378.837 3.118 10 30 GGEERN N#C[C@H](NC(=O)CCOCC(F)(F)C(F)F)c1ccc(Br)cc1 ZINC000276543445 565453393 /nfs/dbraw/zinc/45/33/93/565453393.db2.gz IMERZKAMJNYGBW-NSHDSACASA-N 0 0 397.166 3.437 10 30 GGEERN C=CCOc1c(Br)cc(CNCc2cc(C(N)=O)co2)cc1OC ZINC000189418281 565463309 /nfs/dbraw/zinc/46/33/09/565463309.db2.gz QFFBBJCNAKPUPO-UHFFFAOYSA-N 0 0 395.253 3.004 10 30 GGEERN O[C@@H]1C[C@@H](c2cc(F)ccc2F)N(CCOCC(F)(F)C(F)(F)F)C1 ZINC000189743063 565486098 /nfs/dbraw/zinc/48/60/98/565486098.db2.gz VWZBLZJLPZKVEV-MFKMUULPSA-N 0 0 375.284 3.287 10 30 GGEERN CC[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)Oc1ccccc1Cl ZINC000301554574 565494849 /nfs/dbraw/zinc/49/48/49/565494849.db2.gz RXBXYZXEYUUXOU-CYBMUJFWSA-N 0 0 379.869 3.129 10 30 GGEERN CCCC[C@@H](ON=C(C)C)C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000277460183 565499092 /nfs/dbraw/zinc/49/90/92/565499092.db2.gz 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ZINC000301959073 565521025 /nfs/dbraw/zinc/52/10/25/565521025.db2.gz PDAVFMWZUYQQSV-LLVKDONJSA-N 0 0 378.885 3.400 10 30 GGEERN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H](c2ccccc2)O1 ZINC000173064996 565524653 /nfs/dbraw/zinc/52/46/53/565524653.db2.gz LDSWTPDXUMQRAQ-CXAGYDPISA-N 0 0 376.865 3.362 10 30 GGEERN N#Cc1ccc(NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)cc1C#N ZINC000173100327 565526470 /nfs/dbraw/zinc/52/64/70/565526470.db2.gz RLWUSGXGGDCDDP-UHFFFAOYSA-N 0 0 393.200 3.286 10 30 GGEERN C[C@@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000173105066 565527691 /nfs/dbraw/zinc/52/76/91/565527691.db2.gz SWBANUSHXJWRHU-CXAGYDPISA-N 0 0 376.865 3.362 10 30 GGEERN CC1(C)CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC[C@@H]1C(F)(F)F ZINC000190402649 565528933 /nfs/dbraw/zinc/52/89/33/565528933.db2.gz QBIAJGQKFJTADI-LBPRGKRZSA-N 0 0 382.354 3.436 10 30 GGEERN COc1cc(Br)ccc1[C@@H](C)NCC(=O)N[C@@](C)(C#N)C(C)C ZINC000190419777 565530953 /nfs/dbraw/zinc/53/09/53/565530953.db2.gz RHCRZRVTNUNYCB-PXAZEXFGSA-N 0 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LFCZSEVTQONBKM-CYBMUJFWSA-N 0 0 386.258 3.211 10 30 GGEERN CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000387943156 565550680 /nfs/dbraw/zinc/55/06/80/565550680.db2.gz FNQAWOJQMKSSTP-UHFFFAOYSA-N 0 0 383.242 3.281 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCc2cc(Br)ccc2F)ccc1F ZINC000388057192 565550809 /nfs/dbraw/zinc/55/08/09/565550809.db2.gz OTONFLLQMPVNTK-UHFFFAOYSA-N 0 0 387.205 3.077 10 30 GGEERN Cn1ncc(Br)c1/C=C/C(=O)c1ccc(N2CCC(O)CC2)cc1 ZINC000278641348 565570362 /nfs/dbraw/zinc/57/03/62/565570362.db2.gz ZGDOACOSIOMGHY-VOTSOKGWSA-N 0 0 390.281 3.040 10 30 GGEERN C=CCCCNS(=O)(=O)c1ccc(Br)cc1Br ZINC000303991892 565576712 /nfs/dbraw/zinc/57/67/12/565576712.db2.gz ZRXVMJKXUFAZFG-UHFFFAOYSA-N 0 0 383.105 3.456 10 30 GGEERN N#Cc1ccc(CSc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1F ZINC000191005551 565577301 /nfs/dbraw/zinc/57/73/01/565577301.db2.gz MKGCIXGWKWCREK-UHFFFAOYSA-N 0 0 377.466 3.169 10 30 GGEERN CCn1c(-c2cccs2)nnc1S(=O)(=O)Cc1ccc(C#N)c(F)c1 ZINC000191024680 565578726 /nfs/dbraw/zinc/57/87/26/565578726.db2.gz NWLKGJFHFCRENP-UHFFFAOYSA-N 0 0 376.438 3.011 10 30 GGEERN CCO[C@H](C)c1nc(CN(C)S(=O)(=O)c2ccc(C#N)cc2C)cs1 ZINC000173745385 565581442 /nfs/dbraw/zinc/58/14/42/565581442.db2.gz BZHYHPCBPFPVSF-CYBMUJFWSA-N 0 0 379.507 3.241 10 30 GGEERN Cc1ncc(S(=O)(=O)Nc2cccc(Cl)c2Br)cc1C#N ZINC000314107299 565586299 /nfs/dbraw/zinc/58/62/99/565586299.db2.gz HSNMKAFKWSOHDJ-UHFFFAOYSA-N 0 0 386.658 3.478 10 30 GGEERN N#Cc1ccc(CNS(=O)(=O)c2c(Cl)cccc2Br)cc1 ZINC000314583146 565587118 /nfs/dbraw/zinc/58/71/18/565587118.db2.gz WATRRMLYRHYVGT-UHFFFAOYSA-N 0 0 385.670 3.453 10 30 GGEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O ZINC000173796423 565587557 /nfs/dbraw/zinc/58/75/57/565587557.db2.gz IMDXBYBASTVQQB-NSHDSACASA-N 0 0 378.837 3.021 10 30 GGEERN CC(C)c1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(C#N)c2)no1 ZINC000173823136 565590046 /nfs/dbraw/zinc/59/00/46/565590046.db2.gz HKEDBDCTBUKWIM-AWEZNQCLSA-N 0 0 380.857 3.244 10 30 GGEERN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2CCC(C)(C)O2)nc1C ZINC000279090980 565594617 /nfs/dbraw/zinc/59/46/17/565594617.db2.gz TUUAVLZRXRMRQE-SNVBAGLBSA-N 0 0 379.511 3.081 10 30 GGEERN N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000408282815 565602236 /nfs/dbraw/zinc/60/22/36/565602236.db2.gz BGRUPELWCZRSAL-CPCISQLKSA-N 0 0 381.654 3.212 10 30 GGEERN COc1cc(Br)ccc1[C@@H](C)NC(=O)Nc1ccn(CCC#N)n1 ZINC000191429571 565603487 /nfs/dbraw/zinc/60/34/87/565603487.db2.gz VMABIOONFXTAOU-LLVKDONJSA-N 0 0 392.257 3.451 10 30 GGEERN Cn1cnnc1[C@H]1CCCN(c2c(Br)cc(Cl)cc2C#N)C1 ZINC000408379401 565606034 /nfs/dbraw/zinc/60/60/34/565606034.db2.gz KZRARZVDWDXISD-JTQLQIEISA-N 0 0 380.677 3.487 10 30 GGEERN COc1ccc(Br)cc1S(=O)(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000408403586 565607571 /nfs/dbraw/zinc/60/75/71/565607571.db2.gz UZWNWYFPXWPHRU-AWEZNQCLSA-N 0 0 387.299 3.161 10 30 GGEERN CC(C)(C)c1nnc2sc(SCc3ccc(C#N)c(F)c3)nn2c1=O ZINC000191517766 565610410 /nfs/dbraw/zinc/61/04/10/565610410.db2.gz KUNCDQGDRQGQHD-UHFFFAOYSA-N 0 0 375.454 3.147 10 30 GGEERN CC(C)c1nnc2n1CCN(C(=O)c1cccc(C#N)c1Br)[C@@H]2C ZINC000408457523 565610982 /nfs/dbraw/zinc/61/09/82/565610982.db2.gz PILBUUBZWAAORM-LLVKDONJSA-N 0 0 388.269 3.253 10 30 GGEERN C[C@H](Oc1ccc(I)cc1)C(=O)NC1(C#N)CCCC1 ZINC000409459435 565616220 /nfs/dbraw/zinc/61/62/20/565616220.db2.gz MYXNJFRUTYRXKP-NSHDSACASA-N 0 0 384.217 3.011 10 30 GGEERN C[C@@]1(c2ccccc2)NC(=O)N(Cc2cc(C#N)ccc2Br)C1=O ZINC000191675417 565620607 /nfs/dbraw/zinc/62/06/07/565620607.db2.gz CIOQXBHOVNVGBA-SFHVURJKSA-N 0 0 384.233 3.288 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCc2ccc(Cl)cn2)ccc1C(F)(F)F ZINC000409516157 565621213 /nfs/dbraw/zinc/62/12/13/565621213.db2.gz GZVLFJSKENKTQG-UHFFFAOYSA-N 0 0 375.759 3.104 10 30 GGEERN C[C@@H](C#N)CN(C)S(=O)(=O)N1CCc2cc(Cl)cc(Cl)c2[C@H]1C ZINC000409514966 565621294 /nfs/dbraw/zinc/62/12/94/565621294.db2.gz SBKMRJJKTHCKBH-WDEREUQCSA-N 0 0 376.309 3.249 10 30 GGEERN CCN(CCC#N)S(=O)(=O)N1CCc2cc(Cl)cc(Cl)c2[C@H]1C ZINC000409514939 565621327 /nfs/dbraw/zinc/62/13/27/565621327.db2.gz RZUFKCRDALCJBH-LLVKDONJSA-N 0 0 376.309 3.393 10 30 GGEERN C[C@@H](C(=O)Nc1nc(-c2ccc(F)c(Cl)c2)cs1)n1cnc(C#N)n1 ZINC000409508962 565621336 /nfs/dbraw/zinc/62/13/36/565621336.db2.gz UKRLGPRZTAKGIV-QMMMGPOBSA-N 0 0 376.804 3.265 10 30 GGEERN CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000409570683 565624942 /nfs/dbraw/zinc/62/49/42/565624942.db2.gz QHCRNZDINBUYPK-UONOGXRCSA-N 0 0 387.908 3.212 10 30 GGEERN Cc1ncc(CN2CCN(Cc3cc(C#N)ccc3Br)CC2)s1 ZINC000191784508 565632116 /nfs/dbraw/zinc/63/21/16/565632116.db2.gz OOBYSCNSNCIBAB-UHFFFAOYSA-N 0 0 391.338 3.404 10 30 GGEERN N#Cc1ccc(Br)c(CN2CCCC[C@H]2CN2CCOCC2)c1 ZINC000191800848 565632681 /nfs/dbraw/zinc/63/26/81/565632681.db2.gz CPRQMIOHFAMKOR-KRWDZBQOSA-N 0 0 378.314 3.007 10 30 GGEERN N#Cc1ccc(Br)c(CN2CCOC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000191808758 565634048 /nfs/dbraw/zinc/63/40/48/565634048.db2.gz SLHCZKNRLRQEAW-DOTOQJQBSA-N 0 0 391.265 3.238 10 30 GGEERN CC(C)C(=O)N[C@H]1CCCN(C(=O)C2(c3cncc(Br)c3)CC2)C1 ZINC000328669224 565638582 /nfs/dbraw/zinc/63/85/82/565638582.db2.gz LWTPHDWBZSRNDX-HNNXBMFYSA-N 0 0 394.313 3.479 10 30 GGEERN C[C@@H](C(=O)Nc1cc(Br)cc(C(F)(F)F)c1)n1cnc(C#N)n1 ZINC000409750355 565638850 /nfs/dbraw/zinc/63/88/50/565638850.db2.gz NHADHUMSHPDRNJ-ZETCQYMHSA-N 0 0 388.147 3.131 10 30 GGEERN CCO[C@H]1C[C@](NCc2cc(C#N)ccc2Br)(C(=O)OC)C1(C)C ZINC000191874689 565639178 /nfs/dbraw/zinc/63/91/78/565639178.db2.gz CVTAORKFRQQEMY-YJBOKZPZSA-N 0 0 395.297 3.157 10 30 GGEERN C[C@H](C(=O)Nc1cc(Br)cc(C(F)(F)F)c1)n1cnc(C#N)n1 ZINC000409750352 565639341 /nfs/dbraw/zinc/63/93/41/565639341.db2.gz NHADHUMSHPDRNJ-SSDOTTSWSA-N 0 0 388.147 3.131 10 30 GGEERN CS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)CC1 ZINC000328718860 565639584 /nfs/dbraw/zinc/63/95/84/565639584.db2.gz PZVHNOYTTBKFIX-LALPHHSUSA-N 0 0 388.892 3.148 10 30 GGEERN O=C(N[C@H]1COc2cc(F)c(Br)cc21)N1CCOCC2(CC2)C1 ZINC000328722684 565639863 /nfs/dbraw/zinc/63/98/63/565639863.db2.gz SAPJRUQISDBKPT-ZDUSSCGKSA-N 0 0 385.233 3.048 10 30 GGEERN O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CCO[C@@H](C2CC2)C1 ZINC000328773019 565640944 /nfs/dbraw/zinc/64/09/44/565640944.db2.gz HJACHQWYXRZSCV-UKRRQHHQSA-N 0 0 385.233 3.047 10 30 GGEERN CN1C(=O)C[C@H](NC(=O)N2CCCSCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328825392 565642849 /nfs/dbraw/zinc/64/28/49/565642849.db2.gz IZIQIUWYWKZGIN-GOEBONIOSA-N 0 0 385.892 3.104 10 30 GGEERN CC(C)CN(Cc1ccccc1Br)C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000409849668 565643065 /nfs/dbraw/zinc/64/30/65/565643065.db2.gz VBNSISZSQJXBHI-ZDUSSCGKSA-N 0 0 390.285 3.158 10 30 GGEERN CN1C(=O)C[C@H](NC(=O)NC2CCSCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328858145 565645034 /nfs/dbraw/zinc/64/50/34/565645034.db2.gz USEZWSYGDCZBNT-GOEBONIOSA-N 0 0 385.892 3.150 10 30 GGEERN C=CCn1c(C)nnc1S(=O)(=O)Cc1ncc(-c2ccccc2Cl)o1 ZINC000174632633 565648668 /nfs/dbraw/zinc/64/86/68/565648668.db2.gz FWPRNSLJVOXHKZ-UHFFFAOYSA-N 0 0 378.841 3.055 10 30 GGEERN C[C@H](C(=O)NCCSCc1ccc(Cl)cc1Cl)n1cnc(C#N)n1 ZINC000409903935 565648954 /nfs/dbraw/zinc/64/89/54/565648954.db2.gz RCRQSBDFABVNRA-SNVBAGLBSA-N 0 0 384.292 3.067 10 30 GGEERN C[C@@H](C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1)n1cnc(C#N)n1 ZINC000409910901 565649017 /nfs/dbraw/zinc/64/90/17/565649017.db2.gz VEUOHYXDHQLEAC-NSHDSACASA-N 0 0 376.247 3.333 10 30 GGEERN N#Cc1ccnc(NC(=O)C2(c3ccc(I)cc3)CC2)c1 ZINC000409935326 565650228 /nfs/dbraw/zinc/65/02/28/565650228.db2.gz DHHOGYKIFPQHCL-UHFFFAOYSA-N 0 0 389.196 3.228 10 30 GGEERN Cc1nn(C)c(C)c1[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000174717011 565653437 /nfs/dbraw/zinc/65/34/37/565653437.db2.gz XKTHJSFLMDIHKO-HNNXBMFYSA-N 0 0 378.885 3.088 10 30 GGEERN O=C(Nc1cnc2c(Br)cccn12)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000329165374 565656693 /nfs/dbraw/zinc/65/66/93/565656693.db2.gz HMPWKKGUJPDGPH-LBPRGKRZSA-N 0 0 391.269 3.333 10 30 GGEERN O=C(Nc1cnc2c(Br)cccn12)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000329165373 565656753 /nfs/dbraw/zinc/65/67/53/565656753.db2.gz HMPWKKGUJPDGPH-GFCCVEGCSA-N 0 0 391.269 3.333 10 30 GGEERN CC1(C#N)CCN(C(=O)CCOc2ccccc2I)CC1 ZINC000280168777 565656786 /nfs/dbraw/zinc/65/67/86/565656786.db2.gz IMYJJAVDRFDYPI-UHFFFAOYSA-N 0 0 398.244 3.212 10 30 GGEERN Cc1cccc(NC(=O)C(=O)NCc2cc(F)cc(Br)c2)c1C#N ZINC000174763276 565657605 /nfs/dbraw/zinc/65/76/05/565657605.db2.gz KYVUDRNEOUQIHE-UHFFFAOYSA-N 0 0 390.212 3.023 10 30 GGEERN CCN1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000329179112 565658525 /nfs/dbraw/zinc/65/85/25/565658525.db2.gz NTMKCDZBSXEDPE-UHOFOFEASA-N 0 0 388.892 3.006 10 30 GGEERN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NCCN1CCc2sccc2C1 ZINC000329198520 565659356 /nfs/dbraw/zinc/65/93/56/565659356.db2.gz WRQLIVSQRZVUFP-ZFWWWQNUSA-N 0 0 381.567 3.010 10 30 GGEERN C=CCCCNC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O ZINC000280315199 565665043 /nfs/dbraw/zinc/66/50/43/565665043.db2.gz YBKBQEGVJYSGJI-KRWDZBQOSA-N 0 0 392.297 3.060 10 30 GGEERN N#Cc1cc(C(=O)N2CCC(Nc3cccc(Br)c3)CC2)ccn1 ZINC000280335950 565666346 /nfs/dbraw/zinc/66/63/46/565666346.db2.gz BMXDVPRMFWWFHW-UHFFFAOYSA-N 0 0 385.265 3.432 10 30 GGEERN C=CCN1CC[C@H](N(C)C(=O)c2cc(Br)cc3ccccc32)C1=O ZINC000410143494 565667415 /nfs/dbraw/zinc/66/74/15/565667415.db2.gz SGLQULSAWXCIMZ-KRWDZBQOSA-N 0 0 387.277 3.461 10 30 GGEERN CC(C)CC[C@](C)(O)CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000410158893 565668101 /nfs/dbraw/zinc/66/81/01/565668101.db2.gz KKEOPNHYMAWVEN-HNNXBMFYSA-N 0 0 378.416 3.043 10 30 GGEERN Cc1c(Br)c2ccccc2n1CC(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000329509540 565668549 /nfs/dbraw/zinc/66/85/49/565668549.db2.gz MJAYKGZTXMMXBB-GFCCVEGCSA-N 0 0 399.310 3.246 10 30 GGEERN CC1(C)[C@H](NC(=O)CCn2cc(Br)ccc2=O)[C@@H]2CCCO[C@H]21 ZINC000329647196 565674321 /nfs/dbraw/zinc/67/43/21/565674321.db2.gz DUCWIWXPJNHCAR-APHBMKBZSA-N 0 0 383.286 3.161 10 30 GGEERN C=CCN1CC[C@H](N2CCC[C@H]2c2ccccc2I)C1=O ZINC000410370546 565679440 /nfs/dbraw/zinc/67/94/40/565679440.db2.gz HRXLXMDVXBLOSS-HOTGVXAUSA-N 0 0 396.272 3.215 10 30 GGEERN CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC1(C)CCC1 ZINC000175104270 565680152 /nfs/dbraw/zinc/68/01/52/565680152.db2.gz YBXFYYXIUJMVMW-UHFFFAOYSA-N 0 0 381.270 3.405 10 30 GGEERN Cc1c(NC(=O)c2cscc2C#N)cccc1S(=O)(=O)NC(C)(C)C ZINC000410514290 565688296 /nfs/dbraw/zinc/68/82/96/565688296.db2.gz YBWIYSMTSIWKHG-UHFFFAOYSA-N 0 0 377.491 3.257 10 30 GGEERN Cc1nsc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c1C#N ZINC000410815123 565696717 /nfs/dbraw/zinc/69/67/17/565696717.db2.gz UFPPORFDQBOSQA-VIFPVBQESA-N 0 0 378.816 3.107 10 30 GGEERN C[C@H]1OCC[C@H]1NC(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000330269947 565699172 /nfs/dbraw/zinc/69/91/72/565699172.db2.gz SQDRFJRQNZWCLI-UHOFOFEASA-N 0 0 382.302 3.417 10 30 GGEERN CCN(CC)C(=O)C1CCN(C(=O)NCc2ccccc2Br)CC1 ZINC000330466281 565707924 /nfs/dbraw/zinc/70/79/24/565707924.db2.gz QXLHPTPMQPRXHR-UHFFFAOYSA-N 0 0 396.329 3.444 10 30 GGEERN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCN(C(=O)CC#N)CC1 ZINC000330580292 565713464 /nfs/dbraw/zinc/71/34/64/565713464.db2.gz KMYGJUHOJKREJC-NSHDSACASA-N 0 0 386.304 3.058 10 30 GGEERN N#Cc1ccc(OCCNC(=O)NCc2cc(Br)cs2)cc1 ZINC000175677388 565716141 /nfs/dbraw/zinc/71/61/41/565716141.db2.gz APLDVOYUNCTNCJ-UHFFFAOYSA-N 0 0 380.267 3.260 10 30 GGEERN Cc1nsc(NC(=O)Cc2cc3c(cc2Br)OCCO3)c1C#N ZINC000281184825 565716703 /nfs/dbraw/zinc/71/67/03/565716703.db2.gz OAZZFFIPTNJHMM-UHFFFAOYSA-N 0 0 394.250 3.038 10 30 GGEERN COCCOc1ccc(Br)cc1NC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000330729609 565720207 /nfs/dbraw/zinc/72/02/07/565720207.db2.gz HNNXESBMVHGMQX-TXEJJXNPSA-N 0 0 387.274 3.129 10 30 GGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1c(F)cccc1I ZINC000281363719 565725882 /nfs/dbraw/zinc/72/58/82/565725882.db2.gz KUXHXCPZELWRSW-HZMBPMFUSA-N 0 0 389.208 3.141 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1c(F)cccc1I ZINC000281363725 565726048 /nfs/dbraw/zinc/72/60/48/565726048.db2.gz KUXHXCPZELWRSW-IINYFYTJSA-N 0 0 389.208 3.141 10 30 GGEERN CS(=O)(=O)N1CCC(CNC(=O)Nc2cccc(C(F)F)c2Cl)CC1 ZINC000330868926 565726409 /nfs/dbraw/zinc/72/64/09/565726409.db2.gz WIOMDUROGZVTCX-UHFFFAOYSA-N 0 0 395.859 3.275 10 30 GGEERN CN(C(=O)Nc1cccc(C(F)F)c1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000330871243 565726638 /nfs/dbraw/zinc/72/66/38/565726638.db2.gz XQQMAUKSIDZRHS-UHFFFAOYSA-N 0 0 395.859 3.179 10 30 GGEERN CCN(C[C@@H](C)C#N)C(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411390185 565727261 /nfs/dbraw/zinc/72/72/61/565727261.db2.gz PMUJDXGCPSGEEZ-GWCFXTLKSA-N 0 0 375.778 3.068 10 30 GGEERN Cc1cc(CNC(=O)N(C[C@@H](C)O)C(C)C)ccc1I ZINC000330884295 565727420 /nfs/dbraw/zinc/72/74/20/565727420.db2.gz DVUYMHNXWWXJJP-GFCCVEGCSA-N 0 0 390.265 3.105 10 30 GGEERN N#Cc1cc(C(=O)Nc2cc(F)c(I)c(F)c2)ccn1 ZINC000193043436 565728085 /nfs/dbraw/zinc/72/80/85/565728085.db2.gz QYRSTVCCDXTDKE-UHFFFAOYSA-N 0 0 385.111 3.088 10 30 GGEERN Cc1cc(NC(=O)c2ccnc(C#N)c2)n(-c2cccc(Br)c2)n1 ZINC000193079715 565731837 /nfs/dbraw/zinc/73/18/37/565731837.db2.gz VOUXINWWNMYBAL-UHFFFAOYSA-N 0 0 382.221 3.462 10 30 GGEERN C#C[C@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br)C(C)C ZINC000281470870 565732108 /nfs/dbraw/zinc/73/21/08/565732108.db2.gz ICLVUMDPTHAZJP-NSHDSACASA-N 0 0 391.187 3.180 10 30 GGEERN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1sccc1C#N ZINC000175905787 565732381 /nfs/dbraw/zinc/73/23/81/565732381.db2.gz ILCQMTWCDZZQND-UHFFFAOYSA-N 0 0 377.853 3.349 10 30 GGEERN C#C[C@@H](NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br)C(C)C ZINC000281470865 565732483 /nfs/dbraw/zinc/73/24/83/565732483.db2.gz ICLVUMDPTHAZJP-LLVKDONJSA-N 0 0 391.187 3.180 10 30 GGEERN COC(=O)c1cc(NC(=O)N2CC[C@H](C)[C@@H](OC)C2)ccc1Br ZINC000330979420 565733068 /nfs/dbraw/zinc/73/30/68/565733068.db2.gz MFUHSWUVCUKIGW-HZMBPMFUSA-N 0 0 385.258 3.138 10 30 GGEERN COCc1nc2cc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)ccc2o1 ZINC000175922493 565733622 /nfs/dbraw/zinc/73/36/22/565733622.db2.gz CRMANSLSJWXVHR-UHFFFAOYSA-N 0 0 377.809 3.300 10 30 GGEERN COC(=O)c1cc(NC(=O)N2CC[C@@H](C)[C@H](OC)C2)ccc1Br ZINC000330979429 565733597 /nfs/dbraw/zinc/73/35/97/565733597.db2.gz MFUHSWUVCUKIGW-QMTHXVAHSA-N 0 0 385.258 3.138 10 30 GGEERN C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)c1cccc(Br)c1 ZINC000175947513 565735994 /nfs/dbraw/zinc/73/59/94/565735994.db2.gz QVOWMBLYLUKDAY-JTQLQIEISA-N 0 0 390.212 3.276 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000331090194 565737487 /nfs/dbraw/zinc/73/74/87/565737487.db2.gz UYPWHMSJWQLDKV-RYUDHWBXSA-N 0 0 381.270 3.213 10 30 GGEERN Cc1ccc2c(ncc(C#N)c2N2CCO[C@]3(CCOC3)C2)c1Br ZINC000281581009 565737954 /nfs/dbraw/zinc/73/79/54/565737954.db2.gz WKJGYUSJQJKRJC-GOSISDBHSA-N 0 0 388.265 3.173 10 30 GGEERN Cc1nc2n(n1)C[C@@H](Nc1c(C#N)cnc3c(Br)cccc31)CC2 ZINC000281609336 565739149 /nfs/dbraw/zinc/73/91/49/565739149.db2.gz IXUOLPUMDMAOKJ-LBPRGKRZSA-N 0 0 383.253 3.196 10 30 GGEERN C[C@H](CCNC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1)[S@](C)=O ZINC000331137079 565741344 /nfs/dbraw/zinc/74/13/44/565741344.db2.gz VOMNCKVBFLVITB-GBDDZHJPSA-N 0 0 393.336 3.438 10 30 GGEERN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC1(C#N)CCCC1 ZINC000193284251 565741885 /nfs/dbraw/zinc/74/18/85/565741885.db2.gz ORGDOQQGEJXUMG-UHFFFAOYSA-N 0 0 399.188 3.074 10 30 GGEERN CC(C)(CC#N)CNC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411650158 565742211 /nfs/dbraw/zinc/74/22/11/565742211.db2.gz QQXWQTOHVNRTOT-LBPRGKRZSA-N 0 0 375.778 3.116 10 30 GGEERN CN(C)C(=O)C1CCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000281691957 565742273 /nfs/dbraw/zinc/74/22/73/565742273.db2.gz RYQPRNZZGCCHSC-UHFFFAOYSA-N 0 0 387.281 3.174 10 30 GGEERN CC(C)C(=O)N1CCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000281742399 565744766 /nfs/dbraw/zinc/74/47/66/565744766.db2.gz XCSLIFUQCIYZPL-UHFFFAOYSA-N 0 0 387.281 3.174 10 30 GGEERN CC(C)(CNC(=O)Nc1cc(Cl)cc(Cl)c1)N1CCS(=O)CC1 ZINC000331178849 565744821 /nfs/dbraw/zinc/74/48/21/565744821.db2.gz YDEBHFHIBQWBHZ-UHFFFAOYSA-N 0 0 378.325 3.162 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1N1CC[C@@H](N2CCCC2=O)C1 ZINC000281722233 565744964 /nfs/dbraw/zinc/74/49/64/565744964.db2.gz VMHUKDQDMSQYGX-CYBMUJFWSA-N 0 0 385.265 3.070 10 30 GGEERN CCN(CC)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(OC)cc1Br ZINC000331196492 565745310 /nfs/dbraw/zinc/74/53/10/565745310.db2.gz UONHQCIUIFNBRA-OAHLLOKOSA-N 0 0 398.301 3.336 10 30 GGEERN CS(=O)(=O)CC1(CNc2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000281754873 565745529 /nfs/dbraw/zinc/74/55/29/565745529.db2.gz YEKHCKNWTZWOGM-UHFFFAOYSA-N 0 0 394.294 3.106 10 30 GGEERN Cn1cnnc1C1CCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000281757340 565745803 /nfs/dbraw/zinc/74/58/03/565745803.db2.gz YKWYHRNBPSOPSU-UHFFFAOYSA-N 0 0 397.280 3.381 10 30 GGEERN Cc1cc(Br)ccc1CN(C)C(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000331215179 565746799 /nfs/dbraw/zinc/74/67/99/565746799.db2.gz NTKCCUFXKNURRR-OAHLLOKOSA-N 0 0 382.302 3.113 10 30 GGEERN CC(C)[C@](C)(CO)NC(=O)c1ncc(Br)cc1Br ZINC000331215589 565746915 /nfs/dbraw/zinc/74/69/15/565746915.db2.gz VIHVNSWVYZJVRE-LBPRGKRZSA-N 0 0 380.080 3.318 10 30 GGEERN N#CC1CCC(CNC(=O)C(=O)Nc2cc(Cl)ccc2Br)CC1 ZINC000281770747 565747096 /nfs/dbraw/zinc/74/70/96/565747096.db2.gz BCQVJHKXDMJXJP-UHFFFAOYSA-N 0 0 398.688 3.487 10 30 GGEERN CN1C[C@H](NC(=O)Nc2cc(Br)cc(C(F)(F)F)c2)CCC1=O ZINC000331238783 565747864 /nfs/dbraw/zinc/74/78/64/565747864.db2.gz ILYCUQKHZZQXSK-SNVBAGLBSA-N 0 0 394.191 3.415 10 30 GGEERN N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC=C(Br)C1 ZINC000281800698 565748886 /nfs/dbraw/zinc/74/88/86/565748886.db2.gz PASOTMDKJYHASQ-UHFFFAOYSA-N 0 0 376.254 3.178 10 30 GGEERN CCS(=O)(=O)N(C)C1CCN(C(=O)Nc2c(Cl)ccc(C)c2C)CC1 ZINC000331255347 565749867 /nfs/dbraw/zinc/74/98/67/565749867.db2.gz YLLSQIPXKMHFNZ-UHFFFAOYSA-N 0 0 387.933 3.248 10 30 GGEERN Cc1cc(Cl)c(NC(=O)NCC(C)(C)N2CCS(=O)CC2)cc1Cl ZINC000331298108 565753347 /nfs/dbraw/zinc/75/33/47/565753347.db2.gz SWLDJZMHDZSNAT-UHFFFAOYSA-N 0 0 392.352 3.471 10 30 GGEERN Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@@H](C)CC(C)(C)O ZINC000331361479 565756628 /nfs/dbraw/zinc/75/66/28/565756628.db2.gz ZCLKXHXOUBWHGZ-VIFPVBQESA-N 0 0 392.315 3.015 10 30 GGEERN COc1cc(C#N)cc(Cl)c1OCC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000193568910 565761387 /nfs/dbraw/zinc/76/13/87/565761387.db2.gz NBLGVGWMQFCBJK-NSHDSACASA-N 0 0 376.762 3.400 10 30 GGEERN C=CCn1c([C@H]2COCCO2)nnc1N(C)Cc1cccc(Cl)c1Cl ZINC000282144046 565766166 /nfs/dbraw/zinc/76/61/66/565766166.db2.gz BRZSYYKHODQPNB-CQSZACIVSA-N 0 0 383.279 3.495 10 30 GGEERN COc1ccc(CN(C)CCS(=O)(=O)c2cccc(C#N)c2)cc1Cl ZINC000412043186 565766738 /nfs/dbraw/zinc/76/67/38/565766738.db2.gz OYGOJIYYJSCENL-UHFFFAOYSA-N 0 0 378.881 3.126 10 30 GGEERN Cc1ccc(Br)cc1NC(=O)C(=O)NCC1CCC(C#N)CC1 ZINC000282152890 565767340 /nfs/dbraw/zinc/76/73/40/565767340.db2.gz WAMIIYWQKAOALZ-UHFFFAOYSA-N 0 0 378.270 3.142 10 30 GGEERN Cc1csc([C@](O)(CC(=O)NCC2CCC(C#N)CC2)C(F)(F)F)n1 ZINC000282270264 565772991 /nfs/dbraw/zinc/77/29/91/565772991.db2.gz KLDBFRSDTRSGEG-KOHJWAIASA-N 0 0 375.416 3.038 10 30 GGEERN C=CCn1c([C@@H]2COCCO2)nnc1N(C)Cc1ccc(Br)s1 ZINC000282411044 565778104 /nfs/dbraw/zinc/77/81/04/565778104.db2.gz XGFIVFBGMBWURS-LBPRGKRZSA-N 0 0 399.314 3.012 10 30 GGEERN COc1ccc(Br)cc1S(=O)(=O)NCC1CCC(C#N)CC1 ZINC000282417767 565778374 /nfs/dbraw/zinc/77/83/74/565778374.db2.gz FKBHPFXSKKNJQB-UHFFFAOYSA-N 0 0 387.299 3.066 10 30 GGEERN COC(=O)c1sc(S(=O)(=O)NCC2CCC(C#N)CC2)c(C)c1Cl ZINC000282429259 565779613 /nfs/dbraw/zinc/77/96/13/565779613.db2.gz FZADSDVVKBPACW-UHFFFAOYSA-N 0 0 390.914 3.105 10 30 GGEERN N#Cc1cc(C(=O)N2CCO[C@H](c3ccc(F)c(Br)c3)C2)ccn1 ZINC000193866977 565779949 /nfs/dbraw/zinc/77/99/49/565779949.db2.gz XVBZVLUMSKKDDY-INIZCTEOSA-N 0 0 390.212 3.069 10 30 GGEERN COc1ccc(Br)c(S(=O)(=O)NCC2CCC(C#N)CC2)c1 ZINC000282467424 565780088 /nfs/dbraw/zinc/78/00/88/565780088.db2.gz IGFAOAXSIAHGIB-UHFFFAOYSA-N 0 0 387.299 3.066 10 30 GGEERN N#Cc1cc(C(=O)NCc2cc(Br)ccc2Br)ccn1 ZINC000193908443 565782654 /nfs/dbraw/zinc/78/26/54/565782654.db2.gz SPDCFPWEWYSUGI-UHFFFAOYSA-N 0 0 395.054 3.408 10 30 GGEERN CCOC(=O)c1c(NC(=O)c2cc(C#N)cn2C)sc2c1CCSC2 ZINC000176541370 565783134 /nfs/dbraw/zinc/78/31/34/565783134.db2.gz QAUVIOUBNKYJGX-UHFFFAOYSA-N 0 0 375.475 3.177 10 30 GGEERN COc1ccc(Cl)cc1CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000176568980 565784927 /nfs/dbraw/zinc/78/49/27/565784927.db2.gz FUDQJNFZBORSOF-UHFFFAOYSA-N 0 0 378.215 3.129 10 30 GGEERN Cn1cc(C#N)cc1C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000176594719 565786967 /nfs/dbraw/zinc/78/69/67/565786967.db2.gz BIHUPNHHGUWXEF-UHFFFAOYSA-N 0 0 384.237 3.156 10 30 GGEERN N#C[C@H](NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21)C1CCCCC1 ZINC000176626671 565789714 /nfs/dbraw/zinc/78/97/14/565789714.db2.gz DITIDPXVMFJDDM-INIZCTEOSA-N 0 0 388.265 3.493 10 30 GGEERN N#CC1CCC(CNC(=O)NCCCCn2cc(Br)cn2)CC1 ZINC000282687408 565793033 /nfs/dbraw/zinc/79/30/33/565793033.db2.gz LNSKSTNQEIPZAJ-UHFFFAOYSA-N 0 0 382.306 3.055 10 30 GGEERN N#CC1CCC(CNC(=O)Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000282711986 565793775 /nfs/dbraw/zinc/79/37/75/565793775.db2.gz NECABILPXWZRPS-UHFFFAOYSA-N 0 0 393.281 3.209 10 30 GGEERN Cn1cc(C#N)cc1C(=O)Nc1ccc(I)cc1Cl ZINC000176711617 565797475 /nfs/dbraw/zinc/79/74/75/565797475.db2.gz PKVATQFIJRSLCC-UHFFFAOYSA-N 0 0 385.592 3.407 10 30 GGEERN N#Cc1cccnc1N1CCN(C(=O)Cc2cccc(Cl)c2Cl)CC1 ZINC000194163013 565797864 /nfs/dbraw/zinc/79/78/64/565797864.db2.gz MKBXHFQUPLGADM-UHFFFAOYSA-N 0 0 375.259 3.151 10 30 GGEERN N#CCCn1ccc(NC(=O)N[C@H]2CCOc3c(Br)cccc32)n1 ZINC000282814859 565797949 /nfs/dbraw/zinc/79/79/49/565797949.db2.gz SWSXOOWJQHPBLR-ZDUSSCGKSA-N 0 0 390.241 3.205 10 30 GGEERN N#CC1CCC(CNC(=O)Cc2cccc(I)c2)CC1 ZINC000282853146 565800107 /nfs/dbraw/zinc/80/01/07/565800107.db2.gz WZQHNBVNQBYHLI-UHFFFAOYSA-N 0 0 382.245 3.280 10 30 GGEERN N#CC1CCC(CNC(=O)Cc2ccccc2I)CC1 ZINC000282876253 565800644 /nfs/dbraw/zinc/80/06/44/565800644.db2.gz YVYDHKCIHSIKRD-UHFFFAOYSA-N 0 0 382.245 3.280 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCCN(c3ccccc3)CC2)ccc1Cl ZINC000194213356 565801303 /nfs/dbraw/zinc/80/13/03/565801303.db2.gz LRUCVXSAYTXNFG-UHFFFAOYSA-N 0 0 375.881 3.113 10 30 GGEERN N#CC1CCC(CNC(=O)N[C@@H](CO)c2cccc(Br)c2)CC1 ZINC000282881656 565801731 /nfs/dbraw/zinc/80/17/31/565801731.db2.gz ZELLKZPUPMTEMU-ZUEPYMLJSA-N 0 0 380.286 3.112 10 30 GGEERN Cn1cc(C#N)cc1C(=O)NC1(c2ccc(Br)cc2)CCOCC1 ZINC000176806155 565805516 /nfs/dbraw/zinc/80/55/16/565805516.db2.gz MBQBRDZKBRUAAS-UHFFFAOYSA-N 0 0 388.265 3.095 10 30 GGEERN Cn1cc(C#N)cc1C(=O)Nc1cc(F)c(I)c(F)c1 ZINC000176984292 565820614 /nfs/dbraw/zinc/82/06/14/565820614.db2.gz QLPMYPRRWNZPHO-UHFFFAOYSA-N 0 0 387.127 3.032 10 30 GGEERN COC(=O)C[C@@H](NC(=O)c1cc(C#N)cs1)c1cccc(Br)c1 ZINC000176981849 565820724 /nfs/dbraw/zinc/82/07/24/565820724.db2.gz JTDJBUGBYUEKIQ-CYBMUJFWSA-N 0 0 393.262 3.416 10 30 GGEERN N#Cc1cc(C(=O)NC2CCN(Cc3cccc(Br)c3)CC2)ccn1 ZINC000412965226 565824607 /nfs/dbraw/zinc/82/46/07/565824607.db2.gz BLUKSQHNAYEZIG-UHFFFAOYSA-N 0 0 399.292 3.110 10 30 GGEERN C[C@H]1CN(c2cccc(Br)c2C#N)CCN1C(=O)c1cscn1 ZINC000413320958 565845894 /nfs/dbraw/zinc/84/58/94/565845894.db2.gz GPLLGEFUIQADPN-NSHDSACASA-N 0 0 391.294 3.128 10 30 GGEERN CCOC(=O)c1cc(Br)ccc1NC(=O)c1cc(C#N)cn1C ZINC000177445478 565851607 /nfs/dbraw/zinc/85/16/07/565851607.db2.gz UTXFZAVDAWIBDX-UHFFFAOYSA-N 0 0 376.210 3.088 10 30 GGEERN CN1CC[C@@H](NS(=O)(=O)c2ccc(C#N)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000332996645 565861148 /nfs/dbraw/zinc/86/11/48/565861148.db2.gz ATEYLXHDSXUKND-GDBMZVCRSA-N 0 0 399.900 3.136 10 30 GGEERN COC(=O)[C@H]1CSCCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)C1 ZINC000413617258 565862928 /nfs/dbraw/zinc/86/29/28/565862928.db2.gz ZOCICESRNGOBOP-LLVKDONJSA-N 0 0 379.844 3.241 10 30 GGEERN N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)s2)cc1 ZINC000195163946 565863504 /nfs/dbraw/zinc/86/35/04/565863504.db2.gz RVEVUQDWTOEKQV-LBPRGKRZSA-N 0 0 377.878 3.427 10 30 GGEERN N#Cc1cccnc1N1CCN(Cc2cc(F)cc(Br)c2)CC1 ZINC000177679136 565866269 /nfs/dbraw/zinc/86/62/69/565866269.db2.gz RVHRQAIFUZMLGM-UHFFFAOYSA-N 0 0 375.245 3.177 10 30 GGEERN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](C)c1ccccc1Br ZINC000178409189 565917580 /nfs/dbraw/zinc/91/75/80/565917580.db2.gz OGZHAPSEBFUNMC-LBPRGKRZSA-N 0 0 386.249 3.445 10 30 GGEERN CCCC(C#N)(CCC)NS(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C ZINC000414448086 565935331 /nfs/dbraw/zinc/93/53/31/565935331.db2.gz YQUSPSQUZLRTPR-UHFFFAOYSA-N 0 0 385.917 3.149 10 30 GGEERN CCSCCCc1noc(-c2ccc(S(=O)(=O)CCCC#N)cc2)n1 ZINC000350983553 565943770 /nfs/dbraw/zinc/94/37/70/565943770.db2.gz FTOSGVXVPQMXSK-UHFFFAOYSA-N 0 0 379.507 3.500 10 30 GGEERN C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](CF)C1 ZINC000414545336 565946814 /nfs/dbraw/zinc/94/68/14/565946814.db2.gz WMFJACDQNYZYBI-ZDUSSCGKSA-N 0 0 395.276 3.458 10 30 GGEERN C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](CF)C1 ZINC000414542373 565946980 /nfs/dbraw/zinc/94/69/80/565946980.db2.gz RIIWHROEBXSZNJ-HNNXBMFYSA-N 0 0 395.276 3.458 10 30 GGEERN Cc1ccccc1N=C1SCCN1C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000245263953 565987888 /nfs/dbraw/zinc/98/78/88/565987888.db2.gz BSTZCPZBKYLTHV-RDTXWAMCSA-N 0 0 375.519 3.012 10 30 GGEERN C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@@H](c2ccccc2)O1 ZINC000245717660 566002790 /nfs/dbraw/zinc/00/27/90/566002790.db2.gz OIOSHHAOAXVYIC-DYVFJYSZSA-N 0 0 376.865 3.362 10 30 GGEERN N#Cc1nccn1Cc1coc(-c2ccc(I)cc2)n1 ZINC000179884406 566015922 /nfs/dbraw/zinc/01/59/22/566015922.db2.gz UIRSLDSYPOCIDZ-UHFFFAOYSA-N 0 0 376.157 3.063 10 30 GGEERN N#Cc1ccc(N2CC[C@H](C(=O)N3CCC=C(Br)C3)C2)c(F)c1 ZINC000287583488 566026562 /nfs/dbraw/zinc/02/65/62/566026562.db2.gz DTIMGIYTFIISPR-ZDUSSCGKSA-N 0 0 378.245 3.035 10 30 GGEERN N#Cc1cccc(NC(=O)[C@H]2CCCN2CC(F)(F)F)c1Br ZINC000416078925 566033121 /nfs/dbraw/zinc/03/31/21/566033121.db2.gz MHJIAPNPWAJTMF-LLVKDONJSA-N 0 0 376.176 3.286 10 30 GGEERN CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000287739198 566037499 /nfs/dbraw/zinc/03/74/99/566037499.db2.gz UFVPXCJOPWRUQD-UHOFOFEASA-N 0 0 381.523 3.168 10 30 GGEERN CCO[C@H]1C[C@@](NCc2ccc(Br)cc2C#N)(C(=O)OC)C1(C)C ZINC000287838293 566042312 /nfs/dbraw/zinc/04/23/12/566042312.db2.gz QLEIANTZJVBDFK-MAUKXSAKSA-N 0 0 395.297 3.157 10 30 GGEERN CCO[C@@H]1C[C@@](NCc2ccc(Br)cc2C#N)(C(=O)OC)C1(C)C ZINC000287838288 566042560 /nfs/dbraw/zinc/04/25/60/566042560.db2.gz QLEIANTZJVBDFK-CRAIPNDOSA-N 0 0 395.297 3.157 10 30 GGEERN N#Cc1cc(Br)ccc1CN1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000287871332 566044995 /nfs/dbraw/zinc/04/49/95/566044995.db2.gz SJEHHXDQDQXVQG-IRXDYDNUSA-N 0 0 391.265 3.238 10 30 GGEERN N#Cc1cc(Br)ccc1CN1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000287871328 566045231 /nfs/dbraw/zinc/04/52/31/566045231.db2.gz SJEHHXDQDQXVQG-DLBZAZTESA-N 0 0 391.265 3.238 10 30 GGEERN N#Cc1ccc(Cl)c(S(=O)(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000364379691 566048798 /nfs/dbraw/zinc/04/87/98/566048798.db2.gz CJUFEFDIDBMQMJ-MAUKXSAKSA-N 0 0 376.865 3.268 10 30 GGEERN N#Cc1ccc(Cl)c(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)c1 ZINC000364379692 566049304 /nfs/dbraw/zinc/04/93/04/566049304.db2.gz CJUFEFDIDBMQMJ-QAPCUYQASA-N 0 0 376.865 3.268 10 30 GGEERN COC(=O)C1CCC(C(=O)N[C@@H](C#N)c2cccc(Br)c2)CC1 ZINC000180273051 566050196 /nfs/dbraw/zinc/05/01/96/566050196.db2.gz HTHUGZICXBUSRW-QOZQQMKHSA-N 0 0 379.254 3.109 10 30 GGEERN C[C@@H](Oc1ccccc1C#N)C(=O)NCCNc1cccc(Br)c1 ZINC000180354870 566057170 /nfs/dbraw/zinc/05/71/70/566057170.db2.gz DPCLHATYWHTEAY-CYBMUJFWSA-N 0 0 388.265 3.316 10 30 GGEERN N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000416433943 566068472 /nfs/dbraw/zinc/06/84/72/566068472.db2.gz RPMLUCOJMOPGLX-LLVKDONJSA-N 0 0 379.226 3.177 10 30 GGEERN C#C[C@H](NC(=O)C(=O)Nc1cccc2cc(Br)cnc21)C(C)(C)C ZINC000288372093 566070855 /nfs/dbraw/zinc/07/08/55/566070855.db2.gz KERWSRHNRRQDHH-AWEZNQCLSA-N 0 0 388.265 3.100 10 30 GGEERN C[C@@H]1[C@@H](C(F)(F)F)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416475146 566073205 /nfs/dbraw/zinc/07/32/05/566073205.db2.gz IWLOUIMQSGSCFZ-KCJUWKMLSA-N 0 0 397.216 3.282 10 30 GGEERN COC(=O)c1cc(NCC(=O)Nc2cccc(C#N)c2)ccc1Br ZINC000180588418 566074630 /nfs/dbraw/zinc/07/46/30/566074630.db2.gz DDBXXNRDBWPHSM-UHFFFAOYSA-N 0 0 388.221 3.158 10 30 GGEERN COC(=O)c1cc(NCC(=O)Nc2ccc(C#N)cc2)ccc1Br ZINC000180590133 566075724 /nfs/dbraw/zinc/07/57/24/566075724.db2.gz WRIUPLWBNKMOQC-UHFFFAOYSA-N 0 0 388.221 3.158 10 30 GGEERN C=CCn1c(SC[C@@H](O)COC)nc2scc(-c3cccs3)c2c1=O ZINC000180628244 566078011 /nfs/dbraw/zinc/07/80/11/566078011.db2.gz GPAKRURNZSVFAT-NSHDSACASA-N 0 0 394.543 3.472 10 30 GGEERN N#Cc1ccc(Br)cc1S(=O)(=O)NC1CCC(C(F)F)CC1 ZINC000416561166 566087196 /nfs/dbraw/zinc/08/71/96/566087196.db2.gz MVHWLDKSCAQILZ-UHFFFAOYSA-N 0 0 393.253 3.423 10 30 GGEERN N#CC1(CS(=O)(=O)NCc2cccc(Br)c2Cl)CCC1 ZINC000416575603 566089603 /nfs/dbraw/zinc/08/96/03/566089603.db2.gz CNFQHURQJLPXEX-UHFFFAOYSA-N 0 0 377.691 3.216 10 30 GGEERN CCC1(CC)CN([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC[S@]1=O ZINC000248902409 566092380 /nfs/dbraw/zinc/09/23/80/566092380.db2.gz AKOLTJLYVBQGSM-YMXBGEKHSA-N 0 0 381.929 3.162 10 30 GGEERN CCC1(CC)CN([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC[S@@]1=O ZINC000248902411 566092643 /nfs/dbraw/zinc/09/26/43/566092643.db2.gz AKOLTJLYVBQGSM-SHZVTRLKSA-N 0 0 381.929 3.162 10 30 GGEERN CC(C)[C@@H]1C[C@H]1C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000249347196 566099833 /nfs/dbraw/zinc/09/98/33/566099833.db2.gz OSPWNXOBAGAZCX-RCCFBDPRSA-N 0 0 390.325 3.450 10 30 GGEERN N#Cc1ccc(OC2CCN(S(=O)(=O)CCc3cccs3)CC2)cc1 ZINC000365544360 566107238 /nfs/dbraw/zinc/10/72/38/566107238.db2.gz HDVPZURIEKJQEL-UHFFFAOYSA-N 0 0 376.503 3.035 10 30 GGEERN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@@H](c2ccccc2)O1 ZINC000250228356 566109358 /nfs/dbraw/zinc/10/93/58/566109358.db2.gz HZSMGLYYAIVCTQ-ACJLOTCBSA-N 0 0 376.865 3.362 10 30 GGEERN C=CCOc1c(Br)cc(Br)cc1C=Nn1cnnc1 ZINC000250510009 566110863 /nfs/dbraw/zinc/11/08/63/566110863.db2.gz AGFAQZSAEORRQA-UHFFFAOYSA-N 0 0 386.047 3.250 10 30 GGEERN COCCn1c(SCc2nc(C#N)cs2)nc2cc(Cl)ccc2c1=O ZINC000416897477 566111271 /nfs/dbraw/zinc/11/12/71/566111271.db2.gz QRJGINICXXTYSW-UHFFFAOYSA-N 0 0 392.893 3.317 10 30 GGEERN CN(c1cccnn1)C1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000181091302 566113153 /nfs/dbraw/zinc/11/31/53/566113153.db2.gz QAEZDWRUOQROLE-UHFFFAOYSA-N 0 0 386.297 3.212 10 30 GGEERN N#Cc1ccc(SCC(=O)N[C@H](CO)c2cccc(Br)c2)cc1 ZINC000181132852 566118097 /nfs/dbraw/zinc/11/80/97/566118097.db2.gz RWDZIFSSNAIHBP-MRXNPFEDSA-N 0 0 391.290 3.263 10 30 GGEERN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1nc(C#N)cs1 ZINC000416994349 566118351 /nfs/dbraw/zinc/11/83/51/566118351.db2.gz RRCHXPRFCIYYNT-UHFFFAOYSA-N 0 0 376.507 3.110 10 30 GGEERN CCN(CC)S(=O)(=O)c1cc(NCc2nc(C#N)cs2)ccc1Cl ZINC000416999363 566119151 /nfs/dbraw/zinc/11/91/51/566119151.db2.gz MIDPPJIZNNKDIP-UHFFFAOYSA-N 0 0 384.914 3.311 10 30 GGEERN C=CCCCN(C)S(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C ZINC000181210044 566125092 /nfs/dbraw/zinc/12/50/92/566125092.db2.gz WPWIMVQOKGUWQB-UHFFFAOYSA-N 0 0 389.315 3.303 10 30 GGEERN CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)Nc2snc(C)c2C#N)c1 ZINC000417124319 566125536 /nfs/dbraw/zinc/12/55/36/566125536.db2.gz MKYRKDORLWUOFC-UHFFFAOYSA-N 0 0 398.897 3.092 10 30 GGEERN N#Cc1ccc(C(=O)N2CCC[C@H](Nc3cccc(Br)c3)C2)cn1 ZINC000366174689 566138306 /nfs/dbraw/zinc/13/83/06/566138306.db2.gz ZWTIECSMMSGNQE-KRWDZBQOSA-N 0 0 385.265 3.432 10 30 GGEERN N#CCCCCS(=O)(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000181491448 566144720 /nfs/dbraw/zinc/14/47/20/566144720.db2.gz UETBNAVSWLUFMW-HNNXBMFYSA-N 0 0 376.400 3.102 10 30 GGEERN C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)CCCCOC ZINC000417454810 566151372 /nfs/dbraw/zinc/15/13/72/566151372.db2.gz UWWKOZLRTRDTHS-UHFFFAOYSA-N 0 0 382.306 3.095 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)Nc1cc2c(cc1Br)NC(=O)CO2 ZINC000181707066 566161008 /nfs/dbraw/zinc/16/10/08/566161008.db2.gz BACPCEOUJGFIJK-UHFFFAOYSA-N 0 0 386.205 3.212 10 30 GGEERN C=CCn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000290345204 566168851 /nfs/dbraw/zinc/16/88/51/566168851.db2.gz JZTKZWKVELXROU-QWHCGFSZSA-N 0 0 382.917 3.042 10 30 GGEERN N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C2(CCF)CC2)CC1 ZINC000290463958 566173964 /nfs/dbraw/zinc/17/39/64/566173964.db2.gz VOEDABDSOZUWQH-MRXNPFEDSA-N 0 0 394.288 3.298 10 30 GGEERN N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C2(CCF)CC2)CC1 ZINC000290463954 566174527 /nfs/dbraw/zinc/17/45/27/566174527.db2.gz VOEDABDSOZUWQH-INIZCTEOSA-N 0 0 394.288 3.298 10 30 GGEERN O=C(/C=C/c1cnc(N2CCOCC2)s1)c1ccc(Br)nc1 ZINC000290568680 566179441 /nfs/dbraw/zinc/17/94/41/566179441.db2.gz TWUNGCYYGLDWPM-NSCUHMNNSA-N 0 0 380.267 3.033 10 30 GGEERN N#Cc1ccc2ncc(CN[C@@H]3COc4cc(F)c(Br)cc43)n2c1 ZINC000367439303 566201073 /nfs/dbraw/zinc/20/10/73/566201073.db2.gz SWFCIEZGPDZFSG-OAHLLOKOSA-N 0 0 387.212 3.331 10 30 GGEERN N#Cc1ccc2ncc(CN[C@H]3COc4cc(F)c(Br)cc43)n2c1 ZINC000367439302 566201832 /nfs/dbraw/zinc/20/18/32/566201832.db2.gz SWFCIEZGPDZFSG-HNNXBMFYSA-N 0 0 387.212 3.331 10 30 GGEERN Cc1nsc(N2CCN(C(=O)c3csc(Br)c3)CC2)c1C#N ZINC000291168447 566207675 /nfs/dbraw/zinc/20/76/75/566207675.db2.gz RMJYWOZMXLCQDD-UHFFFAOYSA-N 0 0 397.323 3.110 10 30 GGEERN COC(=O)c1cc(NC(=O)N(CCC#N)CC2CC2)ccc1Br ZINC000182634861 566216683 /nfs/dbraw/zinc/21/66/83/566216683.db2.gz MWIUORVUUBBNFT-UHFFFAOYSA-N 0 0 380.242 3.393 10 30 GGEERN C#CCC(CC#C)C(=O)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000367947411 566224530 /nfs/dbraw/zinc/22/45/30/566224530.db2.gz JHAUSJZFQRKKKO-QGZVFWFLSA-N 0 0 378.241 3.151 10 30 GGEERN CCCc1noc(CCCC(=O)N[C@H](C#N)c2ccc(Br)cc2)n1 ZINC000264856162 566226250 /nfs/dbraw/zinc/22/62/50/566226250.db2.gz DEOJRNFCAJOXBP-CQSZACIVSA-N 0 0 391.269 3.488 10 30 GGEERN C[C@@H](CC(=O)N[C@H](C#N)c1ccc(Br)cc1)NC(=O)C1CCCC1 ZINC000264866736 566226262 /nfs/dbraw/zinc/22/62/62/566226262.db2.gz GZDIDOKILSPEEI-BLLLJJGKSA-N 0 0 392.297 3.215 10 30 GGEERN C[C@H](OC[C@H]1CCCCO1)C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000264879208 566226467 /nfs/dbraw/zinc/22/64/67/566226467.db2.gz JRZSDNGQSPFVMO-APHBMKBZSA-N 0 0 381.270 3.104 10 30 GGEERN CCCC(=O)N1CCC[C@H](C(=O)N[C@H](C#N)c2ccc(Br)cc2)C1 ZINC000264921457 566227833 /nfs/dbraw/zinc/22/78/33/566227833.db2.gz UXJATGHVTYAFTK-GOEBONIOSA-N 0 0 392.297 3.169 10 30 GGEERN COC(=O)[C@H](NCc1nc(C)c(Br)s1)c1cccc(C#N)c1 ZINC000419200541 566230978 /nfs/dbraw/zinc/23/09/78/566230978.db2.gz AYQDVRDTWORSAM-CYBMUJFWSA-N 0 0 380.267 3.090 10 30 GGEERN COC(=O)C[C@](C)(NCc1nc(C#N)cs1)c1ccc(Br)cc1 ZINC000419290512 566231414 /nfs/dbraw/zinc/23/14/14/566231414.db2.gz YZESZOIHBWGUSB-INIZCTEOSA-N 0 0 394.294 3.345 10 30 GGEERN C=CCOCCSCC(=O)Nc1ccc(I)cc1C ZINC000419511175 566236924 /nfs/dbraw/zinc/23/69/24/566236924.db2.gz XGAIOOZENMXFBX-UHFFFAOYSA-N 0 0 391.274 3.474 10 30 GGEERN C=CCCCN(C)C(=O)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000265578422 566239581 /nfs/dbraw/zinc/23/95/81/566239581.db2.gz PZPUYOJBZZZOIU-UHFFFAOYSA-N 0 0 381.929 3.256 10 30 GGEERN C[C@H](NC(=O)CSCc1ncc(C#N)cn1)c1ccc(Br)cc1 ZINC000419624829 566240238 /nfs/dbraw/zinc/24/02/38/566240238.db2.gz GXMPCMZBUYSGLE-NSHDSACASA-N 0 0 391.294 3.221 10 30 GGEERN COCCN(Cc1ccc(Br)s1)C(=O)NCC1(C#N)CCC1 ZINC000419630201 566240270 /nfs/dbraw/zinc/24/02/70/566240270.db2.gz SMPJCBQAMHGDIZ-UHFFFAOYSA-N 0 0 386.315 3.362 10 30 GGEERN CC(C)OCc1ccccc1CNC(=O)CSCc1nc(C#N)cs1 ZINC000419639371 566240336 /nfs/dbraw/zinc/24/03/36/566240336.db2.gz HVIKOQRCOMPPLC-UHFFFAOYSA-N 0 0 375.519 3.489 10 30 GGEERN CC(C)OCc1ccc(CNC(=O)CSCc2nc(C#N)cs2)cc1 ZINC000419657790 566240712 /nfs/dbraw/zinc/24/07/12/566240712.db2.gz YNYWWYAVTBTOTK-UHFFFAOYSA-N 0 0 375.519 3.489 10 30 GGEERN CC(C)(C)C1CC(NC(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000419714203 566242795 /nfs/dbraw/zinc/24/27/95/566242795.db2.gz SVFGRMXWVKDWLL-UHFFFAOYSA-N 0 0 378.270 3.200 10 30 GGEERN N#Cc1cccc(NC(=O)C(=O)NC2CCC3(CC3)CC2)c1Br ZINC000419729041 566242944 /nfs/dbraw/zinc/24/29/44/566242944.db2.gz NJINQWFBBKAPCC-UHFFFAOYSA-N 0 0 376.254 3.098 10 30 GGEERN CCN(C(=O)C(=O)Nc1cccc(C#N)c1Br)C1CC(C)(C)C1 ZINC000419727150 566243125 /nfs/dbraw/zinc/24/31/25/566243125.db2.gz IHFPSQMDFGROER-UHFFFAOYSA-N 0 0 378.270 3.296 10 30 GGEERN N#Cc1csc(CNc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)n1 ZINC000419746860 566243511 /nfs/dbraw/zinc/24/35/11/566243511.db2.gz WLEOGFVDBLDDLK-UHFFFAOYSA-N 0 0 396.925 3.455 10 30 GGEERN Cc1ccc(C#N)cc1NC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183336556 566244292 /nfs/dbraw/zinc/24/42/92/566244292.db2.gz RQSNRXFLNMYKOU-UHFFFAOYSA-N 0 0 386.205 3.212 10 30 GGEERN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000266080464 566245694 /nfs/dbraw/zinc/24/56/94/566245694.db2.gz NOZHMQRDZVJUOY-GTNSWQLSSA-N 0 0 389.297 3.359 10 30 GGEERN COc1ccc([C@H](C)NS(=O)(=O)c2ccc(C#N)cc2Cl)cc1OC ZINC000183511009 566248284 /nfs/dbraw/zinc/24/82/84/566248284.db2.gz RXCLIIXSIBMXBK-NSHDSACASA-N 0 0 380.853 3.268 10 30 GGEERN CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599273976 566252223 /nfs/dbraw/zinc/25/22/23/566252223.db2.gz LBXJCILIDSZWMT-MRXNPFEDSA-N 0 0 399.304 3.481 10 30 GGEERN C=CCCC(=O)N[C@@H](Cc1c[nH]c2cccc(Br)c12)C(=O)OC ZINC000534735535 566252396 /nfs/dbraw/zinc/25/23/96/566252396.db2.gz OYDQSUAHYWJKRO-AWEZNQCLSA-N 0 0 379.254 3.097 10 30 GGEERN CC[N@@H+](Cc1ccccc1Br)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599273270 566252532 /nfs/dbraw/zinc/25/25/32/566252532.db2.gz BKUJPYWQNCZJAJ-MRXNPFEDSA-N 0 0 381.314 3.342 10 30 GGEERN COc1cccc(OC(F)(F)F)c1S(=O)(=O)NCC(C)(C)CCC#N ZINC000599307284 566253155 /nfs/dbraw/zinc/25/31/55/566253155.db2.gz QCNUYVAMLWPPEO-UHFFFAOYSA-N 0 0 380.388 3.202 10 30 GGEERN Cc1cc(Br)c(F)cc1S(=O)(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000599319506 566253845 /nfs/dbraw/zinc/25/38/45/566253845.db2.gz FXEGUXCNHLZVEZ-QWRGUYRKSA-N 0 0 375.263 3.257 10 30 GGEERN C=CCCCN(C)C(=O)C(=O)NCCc1ccc(-c2csc(C)n2)s1 ZINC000555828509 566253904 /nfs/dbraw/zinc/25/39/04/566253904.db2.gz YVOCGTMMTSJWQZ-UHFFFAOYSA-N 0 0 377.535 3.263 10 30 GGEERN C=CC[C@@H](C)NC(=O)Nc1cc(I)cc(C(=O)OC)c1 ZINC000534811743 566255333 /nfs/dbraw/zinc/25/53/33/566255333.db2.gz AKNOEWGXPAUBNQ-SECBINFHSA-N 0 0 388.205 3.164 10 30 GGEERN C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000599370240 566256690 /nfs/dbraw/zinc/25/66/90/566256690.db2.gz HXLGZVONMAMQRJ-BXUZGUMPSA-N 0 0 391.269 3.204 10 30 GGEERN Cc1cc(Br)cc2c1CN(C[C@@H](O)CC1(C#N)CCOCC1)CC2 ZINC000599355211 566256830 /nfs/dbraw/zinc/25/68/30/566256830.db2.gz WBHUJWCRDOXAOC-KRWDZBQOSA-N 0 0 393.325 3.187 10 30 GGEERN CN1C(=O)N([C@H]2CC[C@@H](CC#N)C2)C(=O)[C@@H]1c1cccc(Br)c1 ZINC000420000927 566258208 /nfs/dbraw/zinc/25/82/08/566258208.db2.gz USAMAMSKTXVGAC-CQDKDKBSSA-N 0 0 376.254 3.467 10 30 GGEERN C=CC[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)OC)C1 ZINC000599375263 566258686 /nfs/dbraw/zinc/25/86/86/566258686.db2.gz PUXNMSSYUPRHCB-SNVBAGLBSA-N 0 0 378.277 3.367 10 30 GGEERN CCSc1ccc(CC(=O)NC2CCN(CC#N)CC2)c(Br)c1 ZINC000599377096 566258707 /nfs/dbraw/zinc/25/87/07/566258707.db2.gz ZIBAGQKLUKHDAM-UHFFFAOYSA-N 0 0 396.354 3.208 10 30 GGEERN CN(Cc1ccc(F)cc1Br)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599383948 566259750 /nfs/dbraw/zinc/25/97/50/566259750.db2.gz COBFCWIOLCQKHB-OAHLLOKOSA-N 0 0 385.277 3.091 10 30 GGEERN C=CCOc1c(Br)cc(CN2CCc3nccnc3C2)cc1OC ZINC000668735051 566260498 /nfs/dbraw/zinc/26/04/98/566260498.db2.gz FYMBZJQESZXSAV-UHFFFAOYSA-N 0 0 390.281 3.371 10 30 GGEERN C=C(CC)CN1C(=O)N[C@H](Cc2c[nH]c3cccc(Br)c23)C1=O ZINC000420058372 566262531 /nfs/dbraw/zinc/26/25/31/566262531.db2.gz IMUNMXAKLYKJMS-CQSZACIVSA-N 0 0 376.254 3.360 10 30 GGEERN Cc1oc(S(C)(=O)=O)cc1C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000599391351 566262717 /nfs/dbraw/zinc/26/27/17/566262717.db2.gz YMVRLFOBCKGTJL-LLVKDONJSA-N 0 0 378.475 3.496 10 30 GGEERN CC[C@@H](C#N)NC(=O)c1cc(Br)cc(I)c1 ZINC000509092530 566262845 /nfs/dbraw/zinc/26/28/45/566262845.db2.gz GGWIPPMYDSLSKB-JTQLQIEISA-N 0 0 393.022 3.086 10 30 GGEERN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](CO)C[C@H]1C ZINC000624978579 566265259 /nfs/dbraw/zinc/26/52/59/566265259.db2.gz RHJRJCNJHHQZDL-CHWSQXEVSA-N 0 0 394.317 3.209 10 30 GGEERN CC(C)(CC#N)CS(=O)(=O)NCc1ccc(Br)c(F)c1F ZINC000599446008 566265988 /nfs/dbraw/zinc/26/59/88/566265988.db2.gz XFCPILCHHXQHPL-UHFFFAOYSA-N 0 0 381.242 3.087 10 30 GGEERN CC(C)(CC#N)CS(=O)(=O)NCc1cc(F)c(Br)cc1F ZINC000599445453 566266138 /nfs/dbraw/zinc/26/61/38/566266138.db2.gz SOWZZWFIZXGESD-UHFFFAOYSA-N 0 0 381.242 3.087 10 30 GGEERN CN(C[C@@H](O)CC1(C#N)CCOCC1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000599470697 566268131 /nfs/dbraw/zinc/26/81/31/566268131.db2.gz TUFWUEGYVQVQSH-BBRMVZONSA-N 0 0 387.307 3.030 10 30 GGEERN C[C@H]1C[C@H](c2ccc(Br)cc2)CN1S(=O)(=O)c1ccc(C#N)o1 ZINC000599493849 566268650 /nfs/dbraw/zinc/26/86/50/566268650.db2.gz VNWTZFDQJWPUEL-AAEUAGOBSA-N 0 0 395.278 3.480 10 30 GGEERN C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1S(=O)(=O)CC1(C#N)CC1 ZINC000599493405 566269083 /nfs/dbraw/zinc/26/90/83/566269083.db2.gz ORCGRDYALOPZDL-TZMCWYRMSA-N 0 0 383.311 3.260 10 30 GGEERN C[C@H]1C[C@H](c2ccc(Br)cc2)CN1S(=O)(=O)CC1(C#N)CC1 ZINC000599493403 566269261 /nfs/dbraw/zinc/26/92/61/566269261.db2.gz ORCGRDYALOPZDL-JSGCOSHPSA-N 0 0 383.311 3.260 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@@H](CCO)c2cc(Cl)cc(Cl)c2)CCCC1 ZINC000599505442 566270647 /nfs/dbraw/zinc/27/06/47/566270647.db2.gz PJMQKDFRPVZZOZ-HNNXBMFYSA-N 0 0 391.320 3.420 10 30 GGEERN CN1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)c2ccc(Cl)cc21 ZINC000599527493 566271623 /nfs/dbraw/zinc/27/16/23/566271623.db2.gz BMKKQUFCQJXIAF-UHFFFAOYSA-N 0 0 375.881 3.192 10 30 GGEERN N#CCc1cccc2c1CCN(S(=O)(=O)Cc1ccc(Cl)c(F)c1)C2 ZINC000599513855 566272452 /nfs/dbraw/zinc/27/24/52/566272452.db2.gz VTLUJXPJDZCBRZ-UHFFFAOYSA-N 0 0 378.856 3.433 10 30 GGEERN C[C@H](CC#N)N(C)S(=O)(=O)N1CCc2cc(Cl)cc(Cl)c2[C@@H]1C ZINC000509184161 566272673 /nfs/dbraw/zinc/27/26/73/566272673.db2.gz IEQHWLAWJZWOSV-MNOVXSKESA-N 0 0 376.309 3.391 10 30 GGEERN C[C@@H](CC#N)N(C)S(=O)(=O)N1CCc2cc(Cl)cc(Cl)c2[C@H]1C ZINC000509184167 566272919 /nfs/dbraw/zinc/27/29/19/566272919.db2.gz IEQHWLAWJZWOSV-WDEREUQCSA-N 0 0 376.309 3.391 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CC(c3ccccc3F)C2)cc1Br ZINC000462288924 566275157 /nfs/dbraw/zinc/27/51/57/566275157.db2.gz HUWKEJBDNUVEAI-UHFFFAOYSA-N 0 0 395.253 3.248 10 30 GGEERN CCN(CCC#N)C(=O)CN1CCC[C@H]1c1ccc(Br)cc1OC ZINC000599573764 566275422 /nfs/dbraw/zinc/27/54/22/566275422.db2.gz XCPPUCXTNSBXPA-INIZCTEOSA-N 0 0 394.313 3.357 10 30 GGEERN CCN(CCOc1ccc(Br)cc1)C(=O)Cc1ccc(C#N)nc1 ZINC000599597173 566278682 /nfs/dbraw/zinc/27/86/82/566278682.db2.gz UYIMPCUOBVOYNJ-UHFFFAOYSA-N 0 0 388.265 3.186 10 30 GGEERN C=CCn1c(-c2cccc(Br)c2)nnc1N1C[C@H]2COC[C@@]2(C)C1 ZINC000669062261 566280567 /nfs/dbraw/zinc/28/05/67/566280567.db2.gz BVTBIAQVQXCJKW-KBXCAEBGSA-N 0 0 389.297 3.366 10 30 GGEERN Cn1cc(C#N)cc1-c1nc(-c2csc(I)c2)no1 ZINC000445299160 566281111 /nfs/dbraw/zinc/28/11/11/566281111.db2.gz JFNUDORICBOKJG-UHFFFAOYSA-N 0 0 382.186 3.280 10 30 GGEERN Cc1cc(Br)ccc1[C@H]1CCCN1CC(=O)NC1(C#N)CCC1 ZINC000599636038 566282043 /nfs/dbraw/zinc/28/20/43/566282043.db2.gz LTEANIYITUUVBZ-MRXNPFEDSA-N 0 0 376.298 3.457 10 30 GGEERN Cc1ccc(NC(=O)c2cscc2C#N)cc1S(=O)(=O)NC(C)(C)C ZINC000556286113 566282013 /nfs/dbraw/zinc/28/20/13/566282013.db2.gz YNAPIEMBQRVCCN-UHFFFAOYSA-N 0 0 377.491 3.257 10 30 GGEERN C=CCn1c(-c2ccccc2Br)nnc1N1CC[C@@H]2COC[C@@H]2C1 ZINC000669072444 566283605 /nfs/dbraw/zinc/28/36/05/566283605.db2.gz DAOKXVBQRGPEOT-KGLIPLIRSA-N 0 0 389.297 3.366 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)c1c(Cl)cccc1Br ZINC000509265854 566284532 /nfs/dbraw/zinc/28/45/32/566284532.db2.gz WQVCHGGLRZKBFZ-GXFFZTMASA-N 0 0 394.718 3.362 10 30 GGEERN CC(C)[C@@](C)(C#N)NC(=O)CN1CCc2cc(F)cc(Br)c2C1 ZINC000599682495 566285888 /nfs/dbraw/zinc/28/58/88/566285888.db2.gz KKPDMFHFHJLQHI-QGZVFWFLSA-N 0 0 382.277 3.001 10 30 GGEERN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCc2cc(F)cc(Br)c2C1 ZINC000599684575 566286265 /nfs/dbraw/zinc/28/62/65/566286265.db2.gz ZGBFBBDHHFFCDN-KZULUSFZSA-N 0 0 396.304 3.389 10 30 GGEERN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCc2cc(F)cc(Br)c2C1 ZINC000599684574 566286804 /nfs/dbraw/zinc/28/68/04/566286804.db2.gz ZGBFBBDHHFFCDN-KPZWWZAWSA-N 0 0 396.304 3.389 10 30 GGEERN N#CC1(C[C@@H](O)CN2CCc3cc(F)cc(Br)c3C2)CCOCC1 ZINC000599683257 566286931 /nfs/dbraw/zinc/28/69/31/566286931.db2.gz POMDBVKZHGELTA-OAHLLOKOSA-N 0 0 397.288 3.018 10 30 GGEERN COc1cc(-c2noc(-c3ccc(C#N)c(C)n3)n2)cc(Br)c1O ZINC000445402817 566288092 /nfs/dbraw/zinc/28/80/92/566288092.db2.gz MHBOVPJXKCPJBA-UHFFFAOYSA-N 0 0 387.193 3.455 10 30 GGEERN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)Cc1ccc(C#N)nc1 ZINC000599730993 566291164 /nfs/dbraw/zinc/29/11/64/566291164.db2.gz LTZVOVCNSCRLJF-SGTLLEGYSA-N 0 0 388.265 3.151 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)NCc2ccsc2Br)c(F)c1 ZINC000509335657 566291485 /nfs/dbraw/zinc/29/14/85/566291485.db2.gz GGNMJAWHZGTLSL-UHFFFAOYSA-N 0 0 389.271 3.141 10 30 GGEERN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)Cc1ccc(C#N)nc1 ZINC000599730994 566291571 /nfs/dbraw/zinc/29/15/71/566291571.db2.gz LTZVOVCNSCRLJF-XIKOKIGWSA-N 0 0 388.265 3.151 10 30 GGEERN C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599736396 566291646 /nfs/dbraw/zinc/29/16/46/566291646.db2.gz GAXNWQIBZAJHPS-NWKJVHKYSA-N 0 0 377.535 3.456 10 30 GGEERN COc1cc(Br)ccc1CCCNC(=O)Cc1ccc(C#N)nc1 ZINC000599751988 566292900 /nfs/dbraw/zinc/29/29/00/566292900.db2.gz LHZPZVDLTANJRS-UHFFFAOYSA-N 0 0 388.265 3.016 10 30 GGEERN CCCOc1ccc(Br)cc1Cn1nc(C)c(C)c(C#N)c1=O ZINC000462380925 566293243 /nfs/dbraw/zinc/29/32/43/566293243.db2.gz OBANJTOMWJRFQA-UHFFFAOYSA-N 0 0 376.254 3.331 10 30 GGEERN C=CCCOCCNC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000535308017 566294377 /nfs/dbraw/zinc/29/43/77/566294377.db2.gz RLWHLIZBAAOTNR-QGZVFWFLSA-N 0 0 387.307 3.076 10 30 GGEERN COC(=O)c1cc(Br)cc(C(=O)NCC2CCC(C#N)CC2)c1 ZINC000462388979 566294957 /nfs/dbraw/zinc/29/49/57/566294957.db2.gz AQLNTRSMXGTXCW-UHFFFAOYSA-N 0 0 379.254 3.295 10 30 GGEERN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2COC[C@]2(C)C1 ZINC000669311001 566295202 /nfs/dbraw/zinc/29/52/02/566295202.db2.gz NMNDXMRTPWTSLQ-PXAZEXFGSA-N 0 0 392.301 3.085 10 30 GGEERN C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H]2C[C@H]2C1 ZINC000669311315 566295229 /nfs/dbraw/zinc/29/52/29/566295229.db2.gz SSRHCDAWISUUEN-STQMWFEESA-N 0 0 376.302 3.468 10 30 GGEERN C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC000669311312 566295335 /nfs/dbraw/zinc/29/53/35/566295335.db2.gz SSRHCDAWISUUEN-CHWSQXEVSA-N 0 0 376.302 3.468 10 30 GGEERN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2COC[C@@]2(C)C1 ZINC000669311005 566295342 /nfs/dbraw/zinc/29/53/42/566295342.db2.gz NMNDXMRTPWTSLQ-SJKOYZFVSA-N 0 0 392.301 3.085 10 30 GGEERN COCc1nc(C)c(C(=O)N[C@H](C#N)c2ccc(Br)cc2)s1 ZINC000535332707 566295771 /nfs/dbraw/zinc/29/57/71/566295771.db2.gz OVCFRBMSRDFKHJ-GFCCVEGCSA-N 0 0 380.267 3.355 10 30 GGEERN N#Cc1cncc(S(=O)(=O)[N-]c2ncc(Cc3cccc(Cl)c3)s2)c1 ZINC000575963423 566301315 /nfs/dbraw/zinc/30/13/15/566301315.db2.gz WBYKJUVWZBHWOI-UHFFFAOYSA-N 0 0 390.877 3.455 10 30 GGEERN N#CC1CN(C(=O)Nc2cc(F)c(Cl)cc2I)C1 ZINC000599929128 566304451 /nfs/dbraw/zinc/30/44/51/566304451.db2.gz XBPJSAWMWCHJCQ-UHFFFAOYSA-N 0 0 379.560 3.071 10 30 GGEERN O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)N[C@H](CO)CC(F)(F)F ZINC000482379130 566304539 /nfs/dbraw/zinc/30/45/39/566304539.db2.gz MGNQTJFZUGWWPQ-QUBYGPBYSA-N 0 0 380.235 3.181 10 30 GGEERN O=C(NCC[C@H](O)C(F)(F)F)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000482421371 566305480 /nfs/dbraw/zinc/30/54/80/566305480.db2.gz CGFBYSRRMMSOHK-WCBMZHEXSA-N 0 0 380.235 3.181 10 30 GGEERN CSc1ccc(NC(=O)C(=O)N(C[C@@H](C)C#N)C2CC2)cc1Br ZINC000599974076 566305938 /nfs/dbraw/zinc/30/59/38/566305938.db2.gz ZPSJYIJTMOAETA-JTQLQIEISA-N 0 0 396.310 3.260 10 30 GGEERN C=CC(C)(C)CCNS(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000625328136 566306805 /nfs/dbraw/zinc/30/68/05/566306805.db2.gz RSXNLVIKIQTNGE-UHFFFAOYSA-N 0 0 392.315 3.347 10 30 GGEERN N#Cc1ccc(CC(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)cn1 ZINC000600071172 566311915 /nfs/dbraw/zinc/31/19/15/566311915.db2.gz KFZWNNDJRSNMSQ-UHFFFAOYSA-N 0 0 375.259 3.151 10 30 GGEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cc(OC)c(OC)cc2Br)C1 ZINC000625350361 566312083 /nfs/dbraw/zinc/31/20/83/566312083.db2.gz MRDDICLIYDMVSI-LLVKDONJSA-N 0 0 390.299 3.053 10 30 GGEERN C=CC[C@@H]1CCN(S(=O)(=O)c2cc(Br)c(OC)cc2OC)C1 ZINC000625349460 566312159 /nfs/dbraw/zinc/31/21/59/566312159.db2.gz BXJVLSKXDMYRQK-LLVKDONJSA-N 0 0 390.299 3.053 10 30 GGEERN C=CCn1cc(C(=O)N2CCCN(c3ccc(Cl)c(Cl)c3)CC2)nn1 ZINC000648846894 566320614 /nfs/dbraw/zinc/32/06/14/566320614.db2.gz GDDJMTDQGBMCTI-UHFFFAOYSA-N 0 0 380.279 3.123 10 30 GGEERN C=CCOc1c(Cl)cc(CN2CCSC[C@H](C(=O)OC)C2)cc1OC ZINC000600172312 566321692 /nfs/dbraw/zinc/32/16/92/566321692.db2.gz YTQBEIJGKGZAQM-CQSZACIVSA-N 0 0 385.913 3.251 10 30 GGEERN N#Cc1cnn2cc(CN3CC(Cc4ccccc4Br)C3)cnc12 ZINC000600216057 566325054 /nfs/dbraw/zinc/32/50/54/566325054.db2.gz RKYZKDWPPCQYAA-UHFFFAOYSA-N 0 0 382.265 3.038 10 30 GGEERN C=CC[C@H]1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000600212540 566325290 /nfs/dbraw/zinc/32/52/90/566325290.db2.gz GCKTVRJOWJPEMZ-JTQLQIEISA-N 0 0 386.189 3.238 10 30 GGEERN C=CC[C@H]1CCN(C(=O)c2n[nH]c3ccc(I)cc32)C1 ZINC000600212557 566325505 /nfs/dbraw/zinc/32/55/05/566325505.db2.gz GETUVECEWOQJDO-JTQLQIEISA-N 0 0 381.217 3.206 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000576221115 566326539 /nfs/dbraw/zinc/32/65/39/566326539.db2.gz VZMDLZDTLCISNX-HZMBPMFUSA-N 0 0 377.238 3.024 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)N2Cc3ccc(O)cc3C2)C1 ZINC000600229835 566326805 /nfs/dbraw/zinc/32/68/05/566326805.db2.gz ZLBXUQZKRBNFED-UHFFFAOYSA-N 0 0 398.260 3.005 10 30 GGEERN C=CCn1c([C@@H]2COCCO2)nnc1N(C)Cc1ccc(Cl)cc1Cl ZINC000669812776 566329249 /nfs/dbraw/zinc/32/92/49/566329249.db2.gz MRAIQLOLFVQKPS-HNNXBMFYSA-N 0 0 383.279 3.495 10 30 GGEERN N#Cc1c(Br)cccc1OCC(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000600272088 566329633 /nfs/dbraw/zinc/32/96/33/566329633.db2.gz PWUZVNBECVJZDH-NEPJUHHUSA-N 0 0 381.295 3.196 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CSc1nc(C)nc2sc(C)c(C)c21 ZINC000576271587 566329774 /nfs/dbraw/zinc/32/97/74/566329774.db2.gz DVDPFVZRLFMMSO-KBPBESRZSA-N 0 0 377.535 3.416 10 30 GGEERN COc1cc(CNc2cc(Br)cc(F)c2C(N)=O)ccc1C#N ZINC000576273737 566329895 /nfs/dbraw/zinc/32/98/95/566329895.db2.gz AUZCJRYACLLFJY-UHFFFAOYSA-N 0 0 378.201 3.179 10 30 GGEERN CN(C[C@@H]1OCCc2ccccc21)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000509697017 566330429 /nfs/dbraw/zinc/33/04/29/566330429.db2.gz IGGIDDXABQQMNQ-SFHVURJKSA-N 0 0 376.865 3.146 10 30 GGEERN N#Cc1cc(Br)ccc1Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2 ZINC000576278640 566332415 /nfs/dbraw/zinc/33/24/15/566332415.db2.gz OHFAJERNGAWWKQ-UHFFFAOYSA-N 0 0 388.221 3.318 10 30 GGEERN N#CCc1ccc(C(=O)N[C@@]2(CO)CCc3cc(Br)ccc3C2)cc1 ZINC000600305054 566332913 /nfs/dbraw/zinc/33/29/13/566332913.db2.gz QMTXHRACROBPAH-FQEVSTJZSA-N 0 0 399.288 3.165 10 30 GGEERN N#Cc1cc(S(=O)(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)ccc1F ZINC000462625154 566333687 /nfs/dbraw/zinc/33/36/87/566333687.db2.gz YJXXZXOJQZXINR-ZDUSSCGKSA-N 0 0 387.219 3.416 10 30 GGEERN N#Cc1cccc(CS(=O)(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)c1 ZINC000462618311 566333700 /nfs/dbraw/zinc/33/37/00/566333700.db2.gz LRKUGNGDFYSRPN-CQSZACIVSA-N 0 0 383.256 3.418 10 30 GGEERN N#C[C@@H](NC(=O)c1cccc(-n2ccnn2)c1)c1ccc(Br)cc1 ZINC000535894726 566335465 /nfs/dbraw/zinc/33/54/65/566335465.db2.gz FGWPTRHQFFTWRO-MRXNPFEDSA-N 0 0 382.221 3.024 10 30 GGEERN COC(=O)[C@]1(NC(=O)CCCCC#N)CCc2cc(Br)ccc2C1 ZINC000600357400 566335726 /nfs/dbraw/zinc/33/57/26/566335726.db2.gz RVUKQODRODLTEW-SFHVURJKSA-N 0 0 393.281 3.050 10 30 GGEERN C[C@@H]1[C@H](C(F)(F)F)OCCN1S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000625574598 566338574 /nfs/dbraw/zinc/33/85/74/566338574.db2.gz PYXJSGAKDCUPPZ-RDDDGLTNSA-N 0 0 395.296 3.185 10 30 GGEERN CC1(C#N)CCN(C(=O)[C@@H]2CC(=O)Nc3ccc(Br)cc32)CC1 ZINC000446278469 566340220 /nfs/dbraw/zinc/34/02/20/566340220.db2.gz SWQGBMVWSZKHFA-CYBMUJFWSA-N 0 0 376.254 3.027 10 30 GGEERN C[C@@H](CC#N)NC(=O)c1cc(Br)cc(I)c1 ZINC000509840560 566342863 /nfs/dbraw/zinc/34/28/63/566342863.db2.gz UHLCTXQQNXTVHW-ZETCQYMHSA-N 0 0 393.022 3.086 10 30 GGEERN Cc1cc(Br)ccc1[C@@H]1CCCN1C(=O)CNc1ccc(C#N)cn1 ZINC000600509659 566343092 /nfs/dbraw/zinc/34/30/92/566343092.db2.gz RUFHMJIREGSWBT-KRWDZBQOSA-N 0 0 399.292 3.222 10 30 GGEERN C=CCCO[C@@H](C)C(=O)N(CCOC)Cc1sccc1Br ZINC000482945763 566344081 /nfs/dbraw/zinc/34/40/81/566344081.db2.gz ONADGMLVHWBYJF-LBPRGKRZSA-N 0 0 376.316 3.467 10 30 GGEERN COc1cc(CNC(=O)[C@@H]2COc3ccc(Br)cc32)ccc1C#N ZINC000576437012 566345069 /nfs/dbraw/zinc/34/50/69/566345069.db2.gz IUUQMFUAOSGVRY-OAHLLOKOSA-N 0 0 387.233 3.122 10 30 GGEERN O=C(NC[C@H](O)C(F)(F)F)N[C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000446354053 566346421 /nfs/dbraw/zinc/34/64/21/566346421.db2.gz VWTVFURQXBFSHX-DTWKUNHWSA-N 0 0 382.663 3.305 10 30 GGEERN C[C@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)C1(C#N)CCOCC1 ZINC000600590485 566349190 /nfs/dbraw/zinc/34/91/90/566349190.db2.gz CYVOVRHIIYJACL-DZGCQCFKSA-N 0 0 377.282 3.474 10 30 GGEERN N#Cc1cnc(CS[C@@H]2CCc3cc(Br)ccc3NC2=O)nc1 ZINC000600632292 566352627 /nfs/dbraw/zinc/35/26/27/566352627.db2.gz HVGLUNKAYWDPGH-CQSZACIVSA-N 0 0 389.278 3.297 10 30 GGEERN N#Cc1cc(C(=O)N(CCO)Cc2cc(Br)cs2)ccc1F ZINC000557025922 566356038 /nfs/dbraw/zinc/35/60/38/566356038.db2.gz WMQJUFNTCVROQX-UHFFFAOYSA-N 0 0 383.242 3.156 10 30 GGEERN C=C(C)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCO1 ZINC000670302951 566357426 /nfs/dbraw/zinc/35/74/26/566357426.db2.gz KNLZFZHPJLOZAD-ZDUSSCGKSA-N 0 0 380.290 3.227 10 30 GGEERN N#Cc1ccsc1C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000446608602 566357864 /nfs/dbraw/zinc/35/78/64/566357864.db2.gz CUNTVFGYIDBICD-UHFFFAOYSA-N 0 0 387.262 3.498 10 30 GGEERN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N(C[C@@H](C)C#N)C1CC1 ZINC000510033538 566358465 /nfs/dbraw/zinc/35/84/65/566358465.db2.gz DXPRRUVUMNMYMU-VIFPVBQESA-N 0 0 391.276 3.093 10 30 GGEERN CC(C)(CC#N)CN1C(=O)N[C@]2(CCc3cc(Br)ccc3C2)C1=O ZINC000600699040 566359178 /nfs/dbraw/zinc/35/91/78/566359178.db2.gz FVLQUIMSHJAQTN-SFHVURJKSA-N 0 0 390.281 3.168 10 30 GGEERN N#CCc1cccc2c1CCN(C(=O)c1nc(C3CC3)ncc1Br)C2 ZINC000600702480 566359782 /nfs/dbraw/zinc/35/97/82/566359782.db2.gz RMBQMTUTSAXULJ-UHFFFAOYSA-N 0 0 397.276 3.381 10 30 GGEERN N#CC1(C[C@H](O)CNCc2c(F)c(F)c(Br)c(F)c2F)CC1 ZINC000600739367 566362736 /nfs/dbraw/zinc/36/27/36/566362736.db2.gz PIWMQQUXTYPUFK-ZETCQYMHSA-N 0 0 381.167 3.150 10 30 GGEERN Cc1c(I)cc(Br)cc1NC(=O)[C@H](C)C#N ZINC000600807278 566367538 /nfs/dbraw/zinc/36/75/38/566367538.db2.gz AEHXRFOEFQLMDO-ZCFIWIBFSA-N 0 0 393.022 3.460 10 30 GGEERN N#C[C@H](NC(=O)c1cccc(OCC(F)F)n1)c1ccc(Br)cc1 ZINC000536385563 566369637 /nfs/dbraw/zinc/36/96/37/566369637.db2.gz HGMVMUQKPKIZJX-ZDUSSCGKSA-N 0 0 396.191 3.483 10 30 GGEERN N#CCCCCNC(=O)C(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000510339579 566375888 /nfs/dbraw/zinc/37/58/88/566375888.db2.gz TWVXHWNKXOOFBI-UHFFFAOYSA-N 0 0 377.750 3.030 10 30 GGEERN COc1cc(C[S@](=O)Cc2ccc(C)c(C#N)c2)c(Br)cn1 ZINC000600915561 566376980 /nfs/dbraw/zinc/37/69/80/566376980.db2.gz MHNWLPNXYKAXOB-JOCHJYFZSA-N 0 0 379.279 3.482 10 30 GGEERN C=CCCn1cc(C[S@@](=O)Cc2ccc(Br)c(F)c2F)nn1 ZINC000600914053 566376997 /nfs/dbraw/zinc/37/69/97/566376997.db2.gz BJTONWNIOAKZSB-QFIPXVFZSA-N 0 0 390.253 3.344 10 30 GGEERN Cc1ccc(C[S@@](=O)CC(=O)N(C)Cc2ccc(Cl)s2)cc1C#N ZINC000600929074 566379709 /nfs/dbraw/zinc/37/97/09/566379709.db2.gz WQIGELKXEHIYKU-XMMPIXPASA-N 0 0 380.922 3.489 10 30 GGEERN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C1(C#N)CC2(CC2)C1 ZINC000600943186 566381941 /nfs/dbraw/zinc/38/19/41/566381941.db2.gz UFMKTLQWUINMMK-UHFFFAOYSA-N 0 0 390.281 3.238 10 30 GGEERN C=CCN(C(=O)c1cc2c(s1)CCOC2)c1nc(C(=O)OCC)cs1 ZINC000483418627 566382288 /nfs/dbraw/zinc/38/22/88/566382288.db2.gz SVRZDVXNYARFMH-UHFFFAOYSA-N 0 0 378.475 3.287 10 30 GGEERN Cc1c(Br)csc1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000600984493 566382796 /nfs/dbraw/zinc/38/27/96/566382796.db2.gz XNXBDJKGQUYNJF-UHFFFAOYSA-N 0 0 391.294 3.048 10 30 GGEERN N#CC1(C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)CC2(CC2)C1 ZINC000601023936 566383705 /nfs/dbraw/zinc/38/37/05/566383705.db2.gz IEGFCQSNIKAZSI-UHFFFAOYSA-N 0 0 386.253 3.111 10 30 GGEERN N#CC1(C(=O)NCCc2ccc(I)s2)CC2(CC2)C1 ZINC000601031433 566383995 /nfs/dbraw/zinc/38/39/95/566383995.db2.gz JOUDHYHSCUQVGE-UHFFFAOYSA-N 0 0 386.258 3.095 10 30 GGEERN N#CC1(C(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)CC2(CC2)C1 ZINC000601006069 566384043 /nfs/dbraw/zinc/38/40/43/566384043.db2.gz PALDKBSYELMODB-AWEZNQCLSA-N 0 0 388.309 3.476 10 30 GGEERN 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CC(C)CC[C@@](C)(O)CNC(=O)COc1cccc(Br)c1C#N ZINC000449959245 566619763 /nfs/dbraw/zinc/61/97/63/566619763.db2.gz KWHJHLKSBYSASE-QGZVFWFLSA-N 0 0 383.286 3.003 10 30 GGEERN CC(C)n1ncc2c1C[C@@H](NC(=O)c1ccc(Br)cc1C#N)CC2 ZINC000449968686 566620572 /nfs/dbraw/zinc/62/05/72/566620572.db2.gz YPIRIJUUBVOLOT-HNNXBMFYSA-N 0 0 387.281 3.385 10 30 GGEERN N#CCN1CCC(CNC(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC000449993821 566622651 /nfs/dbraw/zinc/62/26/51/566622651.db2.gz DZAOWCOAHBIOKT-UHFFFAOYSA-N 0 0 388.668 3.207 10 30 GGEERN C=CCn1cc(C(=O)N2C[C@@H](c3ccc(Br)cc3)C[C@H]2C)nn1 ZINC000629238457 566623861 /nfs/dbraw/zinc/62/38/61/566623861.db2.gz BPLHKHIKSKSGII-OCCSQVGLSA-N 0 0 375.270 3.245 10 30 GGEERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc(Br)cc1C#N ZINC000450003217 566624161 /nfs/dbraw/zinc/62/41/61/566624161.db2.gz LPAAUYMYSWZHDG-JTQLQIEISA-N 0 0 375.270 3.032 10 30 GGEERN C=CCn1cc(C(=O)N2C[C@H](c3ccc(Br)cc3)C[C@@H]2C)nn1 ZINC000629238455 566624210 /nfs/dbraw/zinc/62/42/10/566624210.db2.gz BPLHKHIKSKSGII-GXTWGEPZSA-N 0 0 375.270 3.245 10 30 GGEERN C=CCn1cc(C(=O)N2C[C@H](c3ccc(Br)cc3)C[C@H]2C)nn1 ZINC000629238458 566624776 /nfs/dbraw/zinc/62/47/76/566624776.db2.gz BPLHKHIKSKSGII-TZMCWYRMSA-N 0 0 375.270 3.245 10 30 GGEERN N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000450023384 566625130 /nfs/dbraw/zinc/62/51/30/566625130.db2.gz AHPZBSFIAZGCNA-GOSISDBHSA-N 0 0 393.281 3.119 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)cc1Cl ZINC000540068738 566625371 /nfs/dbraw/zinc/62/53/71/566625371.db2.gz HYGPNCNLBYCTCL-MAUKXSAKSA-N 0 0 376.865 3.268 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)cc1Cl ZINC000540068740 566626485 /nfs/dbraw/zinc/62/64/85/566626485.db2.gz HYGPNCNLBYCTCL-YJBOKZPZSA-N 0 0 376.865 3.268 10 30 GGEERN N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000540069616 566626577 /nfs/dbraw/zinc/62/65/77/566626577.db2.gz XNASSLIEASTTQI-KDOFPFPSSA-N 0 0 376.865 3.268 10 30 GGEERN Cc1c(C#N)cccc1C(=O)N[C@H]1CCO[C@@H]1c1cncc(Br)c1 ZINC000513825584 566627665 /nfs/dbraw/zinc/62/76/65/566627665.db2.gz FSLPAHATBOFPPC-DLBZAZTESA-N 0 0 386.249 3.284 10 30 GGEERN N#Cc1cc(S(=O)(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)ccc1Cl ZINC000540071631 566628416 /nfs/dbraw/zinc/62/84/16/566628416.db2.gz SOPYORGIFZGYKT-KSSFIOAISA-N 0 0 376.865 3.268 10 30 GGEERN Cc1noc(C)c1CO[C@H]1CCN(c2ncc(Br)cc2C#N)C1 ZINC000579674326 566629447 /nfs/dbraw/zinc/62/94/47/566629447.db2.gz PPXHTTPVXKRMHZ-AWEZNQCLSA-N 0 0 377.242 3.116 10 30 GGEERN COC1CCC(CNC(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000450067806 566630123 /nfs/dbraw/zinc/63/01/23/566630123.db2.gz QACIHULQPSNVJC-UHFFFAOYSA-N 0 0 381.270 3.021 10 30 GGEERN N#Cc1ccc(C(=O)NCc2ccc(Cl)cc2I)cn1 ZINC000486896453 566634543 /nfs/dbraw/zinc/63/45/43/566634543.db2.gz KQAVDVQSLYIXCR-UHFFFAOYSA-N 0 0 397.603 3.141 10 30 GGEERN C=CCOc1c(Br)cc(CN2CC[C@H](c3nnc[nH]3)C2)cc1OC ZINC000425361275 566635179 /nfs/dbraw/zinc/63/51/79/566635179.db2.gz XFZQLOODJMLHJO-ZDUSSCGKSA-N 0 0 393.285 3.130 10 30 GGEERN C=CCN(Cc1ccc(S(=O)(=O)N(C)C)s1)Cc1ccc(OC)cc1 ZINC000425400170 566640210 /nfs/dbraw/zinc/64/02/10/566640210.db2.gz CEZIXJQKUWXTFK-UHFFFAOYSA-N 0 0 380.535 3.195 10 30 GGEERN N#Cc1ccc(OCC(=O)NCCC[C@H]2CCCC[C@H]2O)cc1Br ZINC000450170531 566640981 /nfs/dbraw/zinc/64/09/81/566640981.db2.gz DSYYXZDMBJOFKZ-CXAGYDPISA-N 0 0 395.297 3.147 10 30 GGEERN N#Cc1c(Br)cccc1OCC(=O)NCCC[C@@H]1CCCC[C@@H]1O ZINC000450172528 566641544 /nfs/dbraw/zinc/64/15/44/566641544.db2.gz LQAXGDOKOYJTQW-BBRMVZONSA-N 0 0 395.297 3.147 10 30 GGEERN N#Cc1cc(Br)cnc1NCC1(N2CCOCC2)CCCCC1 ZINC000450211633 566643760 /nfs/dbraw/zinc/64/37/60/566643760.db2.gz AEBQSPCFQYWKOU-UHFFFAOYSA-N 0 0 379.302 3.163 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC000425494834 566648488 /nfs/dbraw/zinc/64/84/88/566648488.db2.gz TVDOZRMBWVMEAL-NQZOLGFYSA-N 0 0 397.313 3.415 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC000425494836 566648700 /nfs/dbraw/zinc/64/87/00/566648700.db2.gz TVDOZRMBWVMEAL-ZFZWDLNGSA-N 0 0 397.313 3.415 10 30 GGEERN CCC[C@H](C#N)NC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 ZINC000560669077 566649241 /nfs/dbraw/zinc/64/92/41/566649241.db2.gz GMFYWZZPMDCYIL-CYBMUJFWSA-N 0 0 388.269 3.329 10 30 GGEERN N#Cc1ccsc1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000487115429 566649445 /nfs/dbraw/zinc/64/94/45/566649445.db2.gz QZMNZCJVDAOWMD-ZDUSSCGKSA-N 0 0 376.279 3.391 10 30 GGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000653151229 566654348 /nfs/dbraw/zinc/65/43/48/566654348.db2.gz MQOLFWXKLVOYIA-KFWWJZLASA-N 0 0 381.270 3.306 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCc2c(F)ccc(Br)c2C1 ZINC000425564857 566656018 /nfs/dbraw/zinc/65/60/18/566656018.db2.gz MVEDNCAAELMLRR-ZBEGNZNMSA-N 0 0 383.261 3.247 10 30 GGEERN N#Cc1cnc(N[C@@H]2CCN(c3ccc(Br)cc3)C2)c([N+](=O)[O-])c1 ZINC000450317977 566657381 /nfs/dbraw/zinc/65/73/81/566657381.db2.gz UWJXWPPGRGIQAF-CYBMUJFWSA-N 0 0 388.225 3.315 10 30 GGEERN CN(Cc1ccc(Br)c(F)c1)S(=O)(=O)CC1(C#N)CCC1 ZINC000580007119 566657475 /nfs/dbraw/zinc/65/74/75/566657475.db2.gz ANKHMORFPJYADR-UHFFFAOYSA-N 0 0 375.263 3.044 10 30 GGEERN C=CCC1(C(=O)Nc2cc(C)c(I)cn2)CCOCC1 ZINC000425608850 566659756 /nfs/dbraw/zinc/65/97/56/566659756.db2.gz PHTVPGROMJQNMP-UHFFFAOYSA-N 0 0 386.233 3.306 10 30 GGEERN CCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000425630640 566661195 /nfs/dbraw/zinc/66/11/95/566661195.db2.gz OHSLJJOPHRDLKI-OAHLLOKOSA-N 0 0 378.270 3.359 10 30 GGEERN CC(=O)N[C@H](C(=O)Nc1ccc(Br)c(C#N)c1C)C1CCCC1 ZINC000425626941 566661332 /nfs/dbraw/zinc/66/13/32/566661332.db2.gz IDBBAWLODFXFAT-INIZCTEOSA-N 0 0 378.270 3.263 10 30 GGEERN Cc1nc(C)c(CCC(=O)Nc2ccc(Br)c(C#N)c2C)c(=O)[nH]1 ZINC000425625738 566661441 /nfs/dbraw/zinc/66/14/41/566661441.db2.gz GRSTZZFRYYKCCA-UHFFFAOYSA-N 0 0 389.253 3.313 10 30 GGEERN Cc1c(NC(=O)[C@H](C)NC(=O)C2CCCC2)ccc(Br)c1C#N ZINC000425634614 566661518 /nfs/dbraw/zinc/66/15/18/566661518.db2.gz URWQGSUDUPRBHI-NSHDSACASA-N 0 0 378.270 3.263 10 30 GGEERN Cc1sc(=O)n(CC(=O)Nc2ccc(Br)c(C#N)c2C)c1C ZINC000425626222 566661585 /nfs/dbraw/zinc/66/15/85/566661585.db2.gz HIXXCGJLJGXXDV-UHFFFAOYSA-N 0 0 380.267 3.108 10 30 GGEERN Cc1c(NC(=O)[C@H](C(C)C)N2CCCC2=O)ccc(Br)c1C#N ZINC000425637703 566663105 /nfs/dbraw/zinc/66/31/05/566663105.db2.gz YOQOSTLHWTXAGX-INIZCTEOSA-N 0 0 378.270 3.215 10 30 GGEERN N#Cc1cc(Br)cnc1N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000450373565 566663238 /nfs/dbraw/zinc/66/32/38/566663238.db2.gz ANQFFJGXPXDQCJ-GFCCVEGCSA-N 0 0 378.661 3.455 10 30 GGEERN N#Cc1cc(Br)cnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000450368488 566664222 /nfs/dbraw/zinc/66/42/22/566664222.db2.gz HMILVDBOEDARAT-AWEZNQCLSA-N 0 0 399.292 3.362 10 30 GGEERN COC[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000487363731 566667035 /nfs/dbraw/zinc/66/70/35/566667035.db2.gz GQFGDURTNMNVBE-KRWDZBQOSA-N 0 0 382.844 3.158 10 30 GGEERN C=CCCn1cc(CS(=O)(=O)[C@@H](C)c2cccc(Br)c2)nn1 ZINC000653488885 566671871 /nfs/dbraw/zinc/67/18/71/566671871.db2.gz SODKSSXXTJMFAL-LBPRGKRZSA-N 0 0 384.299 3.293 10 30 GGEERN Cc1c(C#N)c(Br)ccc1NC(=O)C(=O)NCCC1=CCCC1 ZINC000425743911 566672843 /nfs/dbraw/zinc/67/28/43/566672843.db2.gz NMRFLPULDUVWQP-UHFFFAOYSA-N 0 0 376.254 3.184 10 30 GGEERN CC[C@H](NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1C)C(F)(F)F ZINC000425744689 566673087 /nfs/dbraw/zinc/67/30/87/566673087.db2.gz AREFJMYYMZOGHO-NSHDSACASA-N 0 0 392.175 3.025 10 30 GGEERN COC(=O)[C@H](CC(F)(F)F)NC(=O)c1ccc(C(F)(F)F)c(F)c1C ZINC000467920021 566674757 /nfs/dbraw/zinc/67/47/57/566674757.db2.gz NIAXAAKVVCDVCN-VIFPVBQESA-N 0 0 375.240 3.377 10 30 GGEERN Cc1c(NC(=O)C(=O)NCCCC(F)(F)F)ccc(Br)c1C#N ZINC000425748876 566674831 /nfs/dbraw/zinc/67/48/31/566674831.db2.gz WXHSIAHUAMVADQ-UHFFFAOYSA-N 0 0 392.175 3.026 10 30 GGEERN CCc1onc(C)c1NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000425767328 566675507 /nfs/dbraw/zinc/67/55/07/566675507.db2.gz KVPADVYMCBYBEF-UHFFFAOYSA-N 0 0 391.225 3.065 10 30 GGEERN CCc1ccc([C@H](C#N)NC(=O)c2cnn3cc(Br)cnc23)cc1 ZINC000514886927 566676895 /nfs/dbraw/zinc/67/68/95/566676895.db2.gz IFKNXHHSHYJGLB-HNNXBMFYSA-N 0 0 384.237 3.049 10 30 GGEERN Cc1c(NC(=O)C(=O)NCCCC(C)(F)F)ccc(Br)c1C#N ZINC000425776476 566677378 /nfs/dbraw/zinc/67/73/78/566677378.db2.gz GWYWCTWOICKYFV-UHFFFAOYSA-N 0 0 388.212 3.119 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1SC(C)C ZINC000425795468 566678612 /nfs/dbraw/zinc/67/86/12/566678612.db2.gz IWJOUJODUAEAQG-WFASDCNBSA-N 0 0 382.913 3.486 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000425864918 566681518 /nfs/dbraw/zinc/68/15/18/566681518.db2.gz NXYAPGPZQVBQQK-YHAQOWFVSA-N 0 0 389.254 3.017 10 30 GGEERN C[C@H]1N(C(=O)COc2ccc(C#N)c(Br)c2)CCC12CCOCC2 ZINC000450590362 566687507 /nfs/dbraw/zinc/68/75/07/566687507.db2.gz MNVUKIODIWABCV-CYBMUJFWSA-N 0 0 393.281 3.117 10 30 GGEERN C[C@@H]1N(C(=O)COc2cccc(Br)c2C#N)CCC12CCOCC2 ZINC000450588433 566687587 /nfs/dbraw/zinc/68/75/87/566687587.db2.gz JVHHNPVWSIGYCH-ZDUSSCGKSA-N 0 0 393.281 3.117 10 30 GGEERN N#Cc1cnc(N2CC[C@@H](Cc3cccc(I)c3)C2)cn1 ZINC000450605162 566688640 /nfs/dbraw/zinc/68/86/40/566688640.db2.gz NRSVHBZNGZQYNU-ZDUSSCGKSA-N 0 0 390.228 3.022 10 30 GGEERN CC(C)c1ccc(-c2ncc(CN(CC#N)S(=O)(=O)N(C)C)s2)cc1 ZINC000515095375 566690755 /nfs/dbraw/zinc/69/07/55/566690755.db2.gz GZRDQKMUQOLCKC-UHFFFAOYSA-N 0 0 378.523 3.065 10 30 GGEERN N#CC[C@@H]1CC[C@H](N2C(=O)CN(Cc3cccc(Br)c3)C2=O)C1 ZINC000561261327 566691020 /nfs/dbraw/zinc/69/10/20/566691020.db2.gz FYOCDTMNYZNNTK-WFASDCNBSA-N 0 0 376.254 3.296 10 30 GGEERN COC(=O)CC1(NC(=O)Nc2ccc(C#N)c(Br)c2)CCCC1 ZINC000487876285 566694501 /nfs/dbraw/zinc/69/45/01/566694501.db2.gz ISMHSZVDZSCIIY-UHFFFAOYSA-N 0 0 380.242 3.318 10 30 GGEERN N#C[C@@H](NC(=O)Cn1ccc2ccccc2c1=O)c1ccc(Br)cc1 ZINC000468266491 566694442 /nfs/dbraw/zinc/69/44/42/566694442.db2.gz OQYRBDNJKVXLMG-QGZVFWFLSA-N 0 0 396.244 3.145 10 30 GGEERN N#Cc1cc(Br)cnc1N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000450657087 566694717 /nfs/dbraw/zinc/69/47/17/566694717.db2.gz XAPRBPLHWJEKBX-DOTOQJQBSA-N 0 0 376.229 3.020 10 30 GGEERN C[C@@H]1SCCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@H]1C ZINC000541098452 566695756 /nfs/dbraw/zinc/69/57/56/566695756.db2.gz MCLGFFVGYAGFFQ-RYUDHWBXSA-N 0 0 375.885 3.177 10 30 GGEERN Cc1nn(C)c(C)c1CCCNC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487895212 566696499 /nfs/dbraw/zinc/69/64/99/566696499.db2.gz JWZQLUVAGRHTRL-UHFFFAOYSA-N 0 0 390.285 3.425 10 30 GGEERN CCC1(CC)C(=O)N(C)C(=O)N(Cc2cc(C#N)ccc2Br)C1=O ZINC000487929153 566697288 /nfs/dbraw/zinc/69/72/88/566697288.db2.gz KFNPKPIEFPJQJR-UHFFFAOYSA-N 0 0 392.253 3.048 10 30 GGEERN N#Cc1ccc(NC(=O)NC[C@@H]2COc3ccccc3O2)cc1Br ZINC000487937460 566697852 /nfs/dbraw/zinc/69/78/52/566697852.db2.gz YKCHUWFQHMJSQN-CYBMUJFWSA-N 0 0 388.221 3.282 10 30 GGEERN CO[C@H](CCNC(=O)NCCSCc1ccccc1C#N)C(F)(F)F ZINC000468373736 566698348 /nfs/dbraw/zinc/69/83/48/566698348.db2.gz NGORPMAXZNPSBB-CQSZACIVSA-N 0 0 375.416 3.058 10 30 GGEERN COCC[C@H]1CCCCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000450686457 566698578 /nfs/dbraw/zinc/69/85/78/566698578.db2.gz VWEFUJZPCLBSEA-CQSZACIVSA-N 0 0 395.297 3.365 10 30 GGEERN Cc1ccc2c(ncc(C#N)c2N2CC[C@@](O)(C(F)F)C2)c1Br ZINC000450710418 566699536 /nfs/dbraw/zinc/69/95/36/566699536.db2.gz UCCIOICTFBZKSW-INIZCTEOSA-N 0 0 382.208 3.384 10 30 GGEERN C=CCCCNC(=O)[C@H](CCC)NC(=O)NCc1ccc(Br)cc1 ZINC000468400606 566699647 /nfs/dbraw/zinc/69/96/47/566699647.db2.gz DBYOHAAGZBRRTC-INIZCTEOSA-N 0 0 396.329 3.499 10 30 GGEERN C=CCCS(=O)(=O)N[C@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541190650 566703428 /nfs/dbraw/zinc/70/34/28/566703428.db2.gz TXSCDHXIGHIMAC-RDJZCZTQSA-N 0 0 388.892 3.025 10 30 GGEERN COC(=O)c1n[nH]c2c1CN(c1c(Br)cc(Cl)cc1C#N)CC2 ZINC000450822187 566708950 /nfs/dbraw/zinc/70/89/50/566708950.db2.gz SDYSTTZQTIFXAJ-UHFFFAOYSA-N 0 0 395.644 3.047 10 30 GGEERN N#Cc1ccc(-c2nc(Cc3cc(Br)c4c(c3)OCCO4)no2)o1 ZINC000426390976 566709094 /nfs/dbraw/zinc/70/90/94/566709094.db2.gz REPAGTCZIKPBFP-UHFFFAOYSA-N 0 0 388.177 3.326 10 30 GGEERN N#Cc1ccc(N(CCO)Cc2cc(Br)cs2)cc1[N+](=O)[O-] ZINC000515446077 566712867 /nfs/dbraw/zinc/71/28/67/566712867.db2.gz OGBJMGXQKXPMKI-UHFFFAOYSA-N 0 0 382.239 3.289 10 30 GGEERN COc1cc(OC)c(S(=O)(=O)Nc2cc(C#N)ccc2Cl)c(OC)c1 ZINC000488238241 566716214 /nfs/dbraw/zinc/71/62/14/566716214.db2.gz ULSVZLLPIUQOMP-UHFFFAOYSA-N 0 0 382.825 3.038 10 30 GGEERN CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NCc2nc(C#N)cs2)c1 ZINC000515479629 566716527 /nfs/dbraw/zinc/71/65/27/566716527.db2.gz YLTNZWVMVKQNSQ-UHFFFAOYSA-N 0 0 378.523 3.274 10 30 GGEERN COc1cc(OC)c(S(=O)(=O)Nc2ccc(C#N)cc2Cl)c(OC)c1 ZINC000488277696 566720034 /nfs/dbraw/zinc/72/00/34/566720034.db2.gz LICVDPHLQIJBFA-UHFFFAOYSA-N 0 0 382.825 3.038 10 30 GGEERN Cc1ccc([C@H](NC(=O)NCCOCC(F)(F)C(F)F)C(F)(F)F)o1 ZINC000654246487 566722940 /nfs/dbraw/zinc/72/29/40/566722940.db2.gz JDNKAJCOICWEJJ-VIFPVBQESA-N 0 0 380.260 3.408 10 30 GGEERN O=C(CCOCC(F)(F)C(F)(F)F)N[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000654237782 566723210 /nfs/dbraw/zinc/72/32/10/566723210.db2.gz MCSNGACAVAQEQU-BDAKNGLRSA-N 0 0 387.267 3.207 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](c3ccccc3)O2)c(Cl)c1 ZINC000580780773 566723495 /nfs/dbraw/zinc/72/34/95/566723495.db2.gz DEFAMOPSEGBVCX-NVXWUHKLSA-N 0 0 376.865 3.410 10 30 GGEERN Cc1c(I)cn(C[C@H]2CCC(F)(F)C2)c(=O)c1C#N ZINC000450947651 566723899 /nfs/dbraw/zinc/72/38/99/566723899.db2.gz ZFAPUOJACOSCRN-VIFPVBQESA-N 0 0 378.160 3.068 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCCCCOc2ccc(F)cc2)ccc1Cl ZINC000515707528 566728671 /nfs/dbraw/zinc/72/86/71/566728671.db2.gz NVUQGCKZXJTPRY-UHFFFAOYSA-N 0 0 382.844 3.488 10 30 GGEERN O=C(NCC[C@@H](O)C(F)(F)F)N[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000515819053 566734184 /nfs/dbraw/zinc/73/41/84/566734184.db2.gz ANYNXIMVPBEQPN-WDEREUQCSA-N 0 0 376.272 3.432 10 30 GGEERN COc1cc(Br)ccc1[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000468849448 566737557 /nfs/dbraw/zinc/73/75/57/566737557.db2.gz GOBBSVQDBAKVQL-LLVKDONJSA-N 0 0 395.278 3.369 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCCCc2nc3c(s2)CCCC3)ccc1Cl ZINC000608913373 566742131 /nfs/dbraw/zinc/74/21/31/566742131.db2.gz CLTGLXULLJJLFV-UHFFFAOYSA-N 0 0 395.937 3.458 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCc2cc(F)ccc2Br)ccc1F ZINC000488720838 566742688 /nfs/dbraw/zinc/74/26/88/566742688.db2.gz AYZKAMFMRSCVCU-UHFFFAOYSA-N 0 0 387.205 3.077 10 30 GGEERN N#Cc1cc(Br)ccc1CN1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000561849750 566743386 /nfs/dbraw/zinc/74/33/86/566743386.db2.gz IRZYHIMGZSWWRF-GOSISDBHSA-N 0 0 384.277 3.384 10 30 GGEERN N#Cc1ccc(NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)nc1N ZINC000581021975 566744846 /nfs/dbraw/zinc/74/48/46/566744846.db2.gz HEUQAFOBMQDMLU-UHFFFAOYSA-N 0 0 376.291 3.341 10 30 GGEERN COc1cc(Br)ccc1[C@H](C)N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000468931489 566745662 /nfs/dbraw/zinc/74/56/62/566745662.db2.gz IUGUUXNVFRAPSG-APPDUMDISA-N 0 0 388.265 3.207 10 30 GGEERN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@@H]1C1CC1 ZINC000609130108 566750236 /nfs/dbraw/zinc/75/02/36/566750236.db2.gz GKVKZPVJDWAHPE-OAHLLOKOSA-N 0 0 393.281 3.499 10 30 GGEERN N#Cc1cc(S(=O)(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)ccc1F ZINC000609134517 566750694 /nfs/dbraw/zinc/75/06/94/566750694.db2.gz JJWTWPYWJXJSPK-HOCLYGCPSA-N 0 0 395.253 3.294 10 30 GGEERN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)N(C[C@H](C)C#N)C1CC1 ZINC000468999130 566751711 /nfs/dbraw/zinc/75/17/11/566751711.db2.gz MWJKWOHJKGUFEJ-CHWSQXEVSA-N 0 0 386.901 3.066 10 30 GGEERN C=C[C@H]1CCCCN1C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000488858282 566752836 /nfs/dbraw/zinc/75/28/36/566752836.db2.gz RKGYITLLIKUGNX-ZDUSSCGKSA-N 0 0 391.265 3.002 10 30 GGEERN Cc1cc(Br)c2c(c1)CN(S(=O)(=O)CC1(C#N)CCC1)CC2 ZINC000561996179 566755969 /nfs/dbraw/zinc/75/59/69/566755969.db2.gz IFAZLPVXVGYANG-UHFFFAOYSA-N 0 0 383.311 3.139 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCCO[C@@H](c3ccccc3)C2)ccc1Cl ZINC000609234301 566756290 /nfs/dbraw/zinc/75/62/90/566756290.db2.gz SDSQVBHNTVXSJK-GOSISDBHSA-N 0 0 376.865 3.364 10 30 GGEERN C[C@@H](c1ccc(Br)cc1)N1CCN(c2ccc(C#N)c(N)n2)CC1 ZINC000516312406 566757740 /nfs/dbraw/zinc/75/77/40/566757740.db2.gz FDLIZPZSDOLUQS-ZDUSSCGKSA-N 0 0 386.297 3.181 10 30 GGEERN N#CCN1CCC(NC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000609337304 566759369 /nfs/dbraw/zinc/75/93/69/566759369.db2.gz WOOPWSUGHHIYLK-QGZVFWFLSA-N 0 0 391.313 3.284 10 30 GGEERN COc1cc(CNS(=O)(=O)c2cccc(Br)c2C)ccc1C#N ZINC000562071091 566762106 /nfs/dbraw/zinc/76/21/06/566762106.db2.gz ZZYLOUDJJJOEBM-UHFFFAOYSA-N 0 0 395.278 3.116 10 30 GGEERN C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc[nH]c(=O)c1Br ZINC000469107613 566762157 /nfs/dbraw/zinc/76/21/57/566762157.db2.gz XFVIJHCUXZCUTK-UHFFFAOYSA-N 0 0 377.238 3.387 10 30 GGEERN COc1cc(CNS(=O)(=O)c2ccc(C)c(Br)c2)ccc1C#N ZINC000581280474 566764528 /nfs/dbraw/zinc/76/45/28/566764528.db2.gz CSBAMIBWKXYUSK-UHFFFAOYSA-N 0 0 395.278 3.116 10 30 GGEERN N#Cc1ccc(S(=O)(=O)CCN2CCc3c(Cl)cc(F)cc3C2)cc1 ZINC000451156511 566767620 /nfs/dbraw/zinc/76/76/20/566767620.db2.gz DYZUGNZOMKUAGV-UHFFFAOYSA-N 0 0 378.856 3.183 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)cc1F ZINC000489098680 566769408 /nfs/dbraw/zinc/76/94/08/566769408.db2.gz HHTAVXYNWRSXLY-KRWDZBQOSA-N 0 0 380.828 3.113 10 30 GGEERN COCCN(Cc1cc(Br)cs1)C(=O)c1ccc(C#N)n1C ZINC000451170645 566770651 /nfs/dbraw/zinc/77/06/51/566770651.db2.gz KMLAKUASONPEHO-UHFFFAOYSA-N 0 0 382.283 3.010 10 30 GGEERN CCSCC[C@@H](C)NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000542028377 566770866 /nfs/dbraw/zinc/77/08/66/566770866.db2.gz QFMHJNDEUQLHOE-GFCCVEGCSA-N 0 0 377.901 3.472 10 30 GGEERN N#C[C@@H](NC(=O)C[C@H]1C(=O)Nc2ccccc21)c1ccc(Br)cc1 ZINC000609588600 566771614 /nfs/dbraw/zinc/77/16/14/566771614.db2.gz DJDIBAXDVLMVMQ-GDBMZVCRSA-N 0 0 384.233 3.256 10 30 GGEERN CCN(c1cccc(Br)c1)S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000489120512 566772752 /nfs/dbraw/zinc/77/27/52/566772752.db2.gz UBJWNQWCHJYNOQ-UHFFFAOYSA-N 0 0 380.267 3.239 10 30 GGEERN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2coc(Br)c2)n1 ZINC000542072553 566773326 /nfs/dbraw/zinc/77/33/26/566773326.db2.gz HAQCQRUGTLPMCA-UHFFFAOYSA-N 0 0 391.612 3.427 10 30 GGEERN N#Cc1cc(F)ccc1CS(=O)(=O)N1CCSC[C@@H]1c1ccccc1 ZINC000451210634 566776691 /nfs/dbraw/zinc/77/66/91/566776691.db2.gz RLJNNJLHJJKIQS-GOSISDBHSA-N 0 0 376.478 3.317 10 30 GGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(Cl)c(I)c1 ZINC000581425857 566777012 /nfs/dbraw/zinc/77/70/12/566777012.db2.gz NZDUKCKXRYQXAE-SECBINFHSA-N 0 0 380.613 3.003 10 30 GGEERN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000427514923 566777237 /nfs/dbraw/zinc/77/72/37/566777237.db2.gz QGVTWDQJVCGZOG-AWEZNQCLSA-N 0 0 390.193 3.361 10 30 GGEERN N#CC1(CS(=O)(=O)N(Cc2csc(Br)c2)C2CC2)CCC1 ZINC000581456336 566778376 /nfs/dbraw/zinc/77/83/76/566778376.db2.gz AKVYIHHWEZXHKO-UHFFFAOYSA-N 0 0 389.340 3.499 10 30 GGEERN N#C[C@@H](NC(=O)c1cccc(-n2cncn2)c1)c1ccccc1Br ZINC000609663361 566780151 /nfs/dbraw/zinc/78/01/51/566780151.db2.gz XDLVIEPCTCWEJF-MRXNPFEDSA-N 0 0 382.221 3.024 10 30 GGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1 ZINC000581472641 566780471 /nfs/dbraw/zinc/78/04/71/566780471.db2.gz JZVOGNAJOASCDN-WBVHZDCISA-N 0 0 390.281 3.407 10 30 GGEERN N#C[C@H](NC(=O)c1cccc(-n2cncn2)c1)c1ccccc1Br ZINC000609663360 566780825 /nfs/dbraw/zinc/78/08/25/566780825.db2.gz XDLVIEPCTCWEJF-INIZCTEOSA-N 0 0 382.221 3.024 10 30 GGEERN CO[C@@H](CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000469315657 566780916 /nfs/dbraw/zinc/78/09/16/566780916.db2.gz YYFVWZBLFYUNPQ-JTQLQIEISA-N 0 0 383.285 3.090 10 30 GGEERN N#CCc1ccc(C(=O)N(CCO)Cc2cc(Br)cs2)cc1 ZINC000427583003 566781251 /nfs/dbraw/zinc/78/12/51/566781251.db2.gz KVJYTWYCPYVHKL-UHFFFAOYSA-N 0 0 379.279 3.211 10 30 GGEERN COC(=O)c1cc(I)cc(NCc2nc(C#N)cs2)c1 ZINC000516822735 566785222 /nfs/dbraw/zinc/78/52/22/566785222.db2.gz FAPOBQKXGIOXPC-UHFFFAOYSA-N 0 0 399.213 3.018 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000469393023 566787406 /nfs/dbraw/zinc/78/74/06/566787406.db2.gz JJQITEVVVRDNQM-CKEIUWERSA-N 0 0 379.298 3.125 10 30 GGEERN O=S(=O)(C[C@H]1CCCC1(F)F)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000451279539 566788738 /nfs/dbraw/zinc/78/87/38/566788738.db2.gz XPZDGJWOCSLGSA-CQSZACIVSA-N 0 0 381.366 3.412 10 30 GGEERN C=CCCCN(C)S(=O)(=O)c1ccc(C)c(I)c1 ZINC000489446372 566789160 /nfs/dbraw/zinc/78/91/60/566789160.db2.gz NOTXXDJKMMYHQP-UHFFFAOYSA-N 0 0 379.263 3.186 10 30 GGEERN N#Cc1cc(F)ccc1CS(=O)(=O)NC[C@@H]1SCCc2ccccc21 ZINC000451291350 566789532 /nfs/dbraw/zinc/78/95/32/566789532.db2.gz ZYUQSXYSNQZIPL-SFHVURJKSA-N 0 0 376.478 3.147 10 30 GGEERN Cc1ncc(S(=O)(=O)N(C)c2nc3ccc(Cl)cc3s2)cc1C#N ZINC000427747421 566792492 /nfs/dbraw/zinc/79/24/92/566792492.db2.gz UIPNKYBHIBPAKR-UHFFFAOYSA-N 0 0 378.866 3.350 10 30 GGEERN COCCN(Cc1cc(Br)cs1)C(=O)c1ccc(C#N)nc1 ZINC000427740333 566792925 /nfs/dbraw/zinc/79/29/25/566792925.db2.gz JUOQQTAUCNHWRL-UHFFFAOYSA-N 0 0 380.267 3.066 10 30 GGEERN N#Cc1cc(F)ccc1CS(=O)(=O)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000451306479 566793258 /nfs/dbraw/zinc/79/32/58/566793258.db2.gz SBRHPDFPZKYICX-FZMZJTMJSA-N 0 0 378.391 3.485 10 30 GGEERN N#Cc1cc(NCCNC(=O)c2cccc(Br)c2)nc2ccccc12 ZINC000609892783 566793625 /nfs/dbraw/zinc/79/36/25/566793625.db2.gz VEQCEXLLESAGGH-UHFFFAOYSA-N 0 0 395.260 3.133 10 30 GGEERN Cc1ncc(S(=O)(=O)N2CCc3cc(Cl)cc(Cl)c3C2)cc1C#N ZINC000489555112 566795449 /nfs/dbraw/zinc/79/54/49/566795449.db2.gz QOVJZCNKKRURML-UHFFFAOYSA-N 0 0 382.272 3.316 10 30 GGEERN Cc1ccc(N(C)S(=O)(=O)c2cnc(C)c(C#N)c2)c(Br)c1 ZINC000427765620 566795583 /nfs/dbraw/zinc/79/55/83/566795583.db2.gz MPIARGKWCQXFOS-UHFFFAOYSA-N 0 0 380.267 3.158 10 30 GGEERN Cn1c(CNc2c(C#N)cnc3c(Br)cccc32)nnc1C1CC1 ZINC000562511241 566797419 /nfs/dbraw/zinc/79/74/19/566797419.db2.gz DKLBQTFBWVSMPH-UHFFFAOYSA-N 0 0 383.253 3.487 10 30 GGEERN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cncc(Cl)c2)CC1 ZINC000451331315 566797475 /nfs/dbraw/zinc/79/74/75/566797475.db2.gz CYXWVMJDLCSRHZ-QGZVFWFLSA-N 0 0 375.259 3.411 10 30 GGEERN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000451337044 566798972 /nfs/dbraw/zinc/79/89/72/566798972.db2.gz WXEZPNFDKYLMRR-JOYOIKCWSA-N 0 0 391.187 3.499 10 30 GGEERN CCOc1cc(Cl)ccc1CNCCS(=O)(=O)c1cccc(C#N)c1 ZINC000517025014 566801158 /nfs/dbraw/zinc/80/11/58/566801158.db2.gz HHQZBDHEXISVQI-UHFFFAOYSA-N 0 0 378.881 3.174 10 30 GGEERN C=CCCCS(=O)(=O)N[C@H]1CCN(CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000489648918 566801305 /nfs/dbraw/zinc/80/13/05/566801305.db2.gz QSYHCAQNSGXRLO-RDJZCZTQSA-N 0 0 376.444 3.125 10 30 GGEERN CCc1nnc(C2CCN(C(=O)c3ccc(Br)cc3C#N)CC2)[nH]1 ZINC000451354377 566801778 /nfs/dbraw/zinc/80/17/78/566801778.db2.gz MXCAKIJRTBOJNN-UHFFFAOYSA-N 0 0 388.269 3.021 10 30 GGEERN Cc1ncc(S(=O)(=O)N[C@H]2CCCOc3c(Cl)cccc32)cc1C#N ZINC000489704946 566805027 /nfs/dbraw/zinc/80/50/27/566805027.db2.gz MCXYXSKRABFMQZ-INIZCTEOSA-N 0 0 377.853 3.107 10 30 GGEERN C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(I)cc1Cl ZINC000451378344 566807123 /nfs/dbraw/zinc/80/71/23/566807123.db2.gz RVVGOOLOFBUDFD-YPMHNXCESA-N 0 0 391.636 3.152 10 30 GGEERN CC(C)c1nn(C)cc1NC(=O)COc1cccc(Br)c1C#N ZINC000451382583 566808129 /nfs/dbraw/zinc/80/81/29/566808129.db2.gz IEQLQGPIPHAHII-UHFFFAOYSA-N 0 0 377.242 3.195 10 30 GGEERN CC(C)c1nn(C)cc1NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000451386513 566809473 /nfs/dbraw/zinc/80/94/73/566809473.db2.gz WYMNZLKOVZPKLW-UHFFFAOYSA-N 0 0 377.242 3.195 10 30 GGEERN Cn1c(C#N)ccc1C(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000451389137 566809791 /nfs/dbraw/zinc/80/97/91/566809791.db2.gz QFSMKKLFHKBOIQ-HAQNSBGRSA-N 0 0 376.229 3.474 10 30 GGEERN Cc1ncc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)cc1C#N ZINC000489808079 566810970 /nfs/dbraw/zinc/81/09/70/566810970.db2.gz NLNMCYOVDCMPKI-XJKSGUPXSA-N 0 0 382.272 3.403 10 30 GGEERN CC(C)(C)OC(=O)CSCC(=O)N[C@@H](C#N)c1ccccc1Br ZINC000610158058 566811677 /nfs/dbraw/zinc/81/16/77/566811677.db2.gz JRXOIQCRASFBOL-ZDUSSCGKSA-N 0 0 399.310 3.205 10 30 GGEERN Cc1ncc(S(=O)(=O)NC2CC(F)(c3cccc(Cl)c3)C2)cc1C#N ZINC000489819921 566812319 /nfs/dbraw/zinc/81/23/19/566812319.db2.gz MLSUPQWTWWVXPQ-UHFFFAOYSA-N 0 0 379.844 3.221 10 30 GGEERN N#Cc1cc(Cl)cc(Br)c1NCC1CCS(=O)(=O)CC1 ZINC000517212325 566812729 /nfs/dbraw/zinc/81/27/29/566812729.db2.gz OWNNGBYPRPGCNN-UHFFFAOYSA-N 0 0 377.691 3.211 10 30 GGEERN C[C@]12CCN(C(=O)COc3ccc(C#N)c(Br)c3)C[C@H]1C2(F)F ZINC000517217154 566813051 /nfs/dbraw/zinc/81/30/51/566813051.db2.gz LEPVAIWUACJRNJ-HIFRSBDPSA-N 0 0 385.208 3.203 10 30 GGEERN Cc1nc(NC(=O)c2ccc(Br)cc2C)n(-c2ccc(C#N)cc2)n1 ZINC000610233072 566817141 /nfs/dbraw/zinc/81/71/41/566817141.db2.gz UBUGWJMJQUGMCD-UHFFFAOYSA-N 0 0 396.248 3.193 10 30 GGEERN COc1cc(Br)ccc1[C@H](C)NS(=O)(=O)CC1(CC#N)CC1 ZINC000451445075 566818988 /nfs/dbraw/zinc/81/89/88/566818988.db2.gz KOMKRHASMSVMOB-NSHDSACASA-N 0 0 387.299 3.132 10 30 GGEERN CCc1ccc([C@@H](C#N)NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000489958027 566819445 /nfs/dbraw/zinc/81/94/45/566819445.db2.gz VUYTXYFOVSUARD-QGZVFWFLSA-N 0 0 376.865 3.057 10 30 GGEERN Cc1cc(Br)c(S(=O)(=O)NCc2ccc(C#N)cc2F)s1 ZINC000610262951 566820828 /nfs/dbraw/zinc/82/08/28/566820828.db2.gz JXUFZZJEFQXIIW-UHFFFAOYSA-N 0 0 389.271 3.308 10 30 GGEERN C=CCn1c(-c2ccccc2Br)nnc1N(C[C@@H](C)O)C1CC1 ZINC000655617918 566822684 /nfs/dbraw/zinc/82/26/84/566822684.db2.gz DDUNPEUSGNZUKA-GFCCVEGCSA-N 0 0 377.286 3.243 10 30 GGEERN N#Cc1c(F)cc(CNC(=O)c2ccccc2I)cc1F ZINC000582016046 566823448 /nfs/dbraw/zinc/82/34/48/566823448.db2.gz CKAWNYCGMWDIJN-UHFFFAOYSA-N 0 0 398.150 3.371 10 30 GGEERN COc1cc(Br)ccc1CNC(=O)COc1ccc(C#N)cc1 ZINC000490025071 566825818 /nfs/dbraw/zinc/82/58/18/566825818.db2.gz YLGVVKNEJDXALZ-UHFFFAOYSA-N 0 0 375.222 3.025 10 30 GGEERN C=CCCCCCNS(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C ZINC000655634745 566825999 /nfs/dbraw/zinc/82/59/99/566825999.db2.gz KIRJTZLVNBYZKE-UHFFFAOYSA-N 0 0 388.555 3.008 10 30 GGEERN O=S(=O)(C[C@@H]1CCC1(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000631786017 566826013 /nfs/dbraw/zinc/82/60/13/566826013.db2.gz URENIVAMCAFWJO-CIUDSAMLSA-N 0 0 389.308 3.424 10 30 GGEERN O=S(=O)(C[C@@H]1CCC1(F)F)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000631786018 566826021 /nfs/dbraw/zinc/82/60/21/566826021.db2.gz URENIVAMCAFWJO-DJLDLDEBSA-N 0 0 389.308 3.424 10 30 GGEERN N#CC1CCC(CNS(=O)(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000451500287 566829222 /nfs/dbraw/zinc/82/92/22/566829222.db2.gz FSODXEGKMPAOIO-UHFFFAOYSA-N 0 0 389.290 3.338 10 30 GGEERN COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)NCC2CCC(C#N)CC2)c1 ZINC000451513761 566830332 /nfs/dbraw/zinc/83/03/32/566830332.db2.gz URXPGHPQKFRZQY-UHFFFAOYSA-N 0 0 384.885 3.043 10 30 GGEERN Cn1cc(-c2ncc(C(=O)Nc3ccc(C#N)c(Br)c3)s2)cn1 ZINC000562896204 566832023 /nfs/dbraw/zinc/83/20/23/566832023.db2.gz ZENLXWPMKSCTRZ-UHFFFAOYSA-N 0 0 388.250 3.430 10 30 GGEERN CCOC(=O)c1csc(C2CCN(C(=O)c3ccc(C#N)s3)CC2)n1 ZINC000469981989 566833463 /nfs/dbraw/zinc/83/34/63/566833463.db2.gz MCVBUUAUPXSNCY-UHFFFAOYSA-N 0 0 375.475 3.273 10 30 GGEERN COc1cc(CNS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)ccc1C#N ZINC000517631859 566835996 /nfs/dbraw/zinc/83/59/96/566835996.db2.gz ZFAQTALIGHAXOR-UHFFFAOYSA-N 0 0 385.272 3.493 10 30 GGEERN C=CCOc1c(Br)cc(CN2C[C@@H](O)C3(CC3)C2)cc1OCC ZINC000428419292 566841104 /nfs/dbraw/zinc/84/11/04/566841104.db2.gz MIIHBZGITJAPSJ-MRXNPFEDSA-N 0 0 382.298 3.369 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 ZINC000470087388 566844654 /nfs/dbraw/zinc/84/46/54/566844654.db2.gz QMJABGPVMPTKNH-QMTHXVAHSA-N 0 0 386.217 3.295 10 30 GGEERN COc1ccc(Cl)cc1CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000490402448 566847134 /nfs/dbraw/zinc/84/71/34/566847134.db2.gz BQGGGRBADPMXJJ-UHFFFAOYSA-N 0 0 378.215 3.129 10 30 GGEERN C[C@@H]1C[C@]2(CCO1)CN(C(=O)c1ccc(Br)cc1C#N)C[C@H](C)O2 ZINC000451595634 566847332 /nfs/dbraw/zinc/84/73/32/566847332.db2.gz KKNPHVRNYRXPOW-FHSNZYRGSA-N 0 0 393.281 3.119 10 30 GGEERN N#Cc1c(Cl)cccc1SCC(=O)N1CCN(Cc2ccco2)CC1 ZINC000543031472 566847273 /nfs/dbraw/zinc/84/72/73/566847273.db2.gz GUMVKGQCZSYBJQ-UHFFFAOYSA-N 0 0 375.881 3.241 10 30 GGEERN CN(Cc1ccc(OCC(F)(F)F)cc1)S(=O)(=O)CC1(C#N)CCC1 ZINC000517783435 566847677 /nfs/dbraw/zinc/84/76/77/566847677.db2.gz PGSXOWPRYUVAJK-UHFFFAOYSA-N 0 0 376.400 3.083 10 30 GGEERN C[C@H](CNS(=O)(=O)Cc1ccc(CC#N)cc1)Oc1cccc(Cl)c1 ZINC000563051910 566848479 /nfs/dbraw/zinc/84/84/79/566848479.db2.gz JHHNCQSHNRCFCG-CQSZACIVSA-N 0 0 378.881 3.293 10 30 GGEERN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cnc2c(Br)cccn12 ZINC000582292447 566849588 /nfs/dbraw/zinc/84/95/88/566849588.db2.gz VMYNDEGJDPOHRI-NSHDSACASA-N 0 0 385.221 3.374 10 30 GGEERN C=CC[C@@H](CO)NC(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000470154594 566851577 /nfs/dbraw/zinc/85/15/77/566851577.db2.gz IZLITECUFJNPDT-VIFPVBQESA-N 0 0 383.164 3.406 10 30 GGEERN C=CC[C@H](CO)NC(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC000470154593 566851959 /nfs/dbraw/zinc/85/19/59/566851959.db2.gz IZLITECUFJNPDT-SECBINFHSA-N 0 0 383.164 3.406 10 30 GGEERN C=CCN1CC[C@@H](N(C)C(=O)c2c(Cl)cc(F)cc2Br)C1=O ZINC000451638214 566854708 /nfs/dbraw/zinc/85/47/08/566854708.db2.gz ZPKCNNDOHZJOPO-GFCCVEGCSA-N 0 0 389.652 3.101 10 30 GGEERN CC(C)(NS(=O)(=O)c1ccc(C#N)cc1Cl)c1cc(C(F)(F)F)on1 ZINC000490472645 566855279 /nfs/dbraw/zinc/85/52/79/566855279.db2.gz TYFQMAYFDYPLSN-UHFFFAOYSA-N 0 0 393.774 3.432 10 30 GGEERN C=CCOCCNC(=O)c1ccc(OCc2cc(C)no2)c(Br)c1 ZINC000679516523 566859150 /nfs/dbraw/zinc/85/91/50/566859150.db2.gz FZUQYQWUOOCCIS-UHFFFAOYSA-N 0 0 395.253 3.257 10 30 GGEERN C=CCOCCNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000679497361 566859778 /nfs/dbraw/zinc/85/97/78/566859778.db2.gz DXMVCNCCIYIXAI-UHFFFAOYSA-N 0 0 390.281 3.056 10 30 GGEERN C=CCOCCNC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000679493655 566860232 /nfs/dbraw/zinc/86/02/32/566860232.db2.gz CWVTXQWMNHMAIY-UHFFFAOYSA-N 0 0 393.237 3.227 10 30 GGEERN C=CCOCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000679493803 566860359 /nfs/dbraw/zinc/86/03/59/566860359.db2.gz FVRAGXWALNHOAU-CQSZACIVSA-N 0 0 385.291 3.164 10 30 GGEERN C=CCOCCNC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000679505230 566860409 /nfs/dbraw/zinc/86/04/09/566860409.db2.gz UUUCICRAYBWEOY-UHFFFAOYSA-N 0 0 386.323 3.460 10 30 GGEERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000518039610 566861352 /nfs/dbraw/zinc/86/13/52/566861352.db2.gz TYNBDKMLHOXPMU-SMDDNHRTSA-N 0 0 377.535 3.385 10 30 GGEERN C=CCOCCNC(=O)C(=O)Nc1cc(Cl)ccc1SCC(F)(F)F ZINC000679533609 566861843 /nfs/dbraw/zinc/86/18/43/566861843.db2.gz WANQCDOQHASPKU-UHFFFAOYSA-N 0 0 396.818 3.252 10 30 GGEERN C=CCCCC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000470373899 566868076 /nfs/dbraw/zinc/86/80/76/566868076.db2.gz GIMQXGPJJHICOD-UHFFFAOYSA-N 0 0 385.291 3.399 10 30 GGEERN N#CCCCCS(=O)(=O)NCc1cc2cccnc2cc1Br ZINC000610915822 566874095 /nfs/dbraw/zinc/87/40/95/566874095.db2.gz WEOABRIESASLEY-UHFFFAOYSA-N 0 0 382.283 3.111 10 30 GGEERN C=CCCCCCNC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000563355260 566878319 /nfs/dbraw/zinc/87/83/19/566878319.db2.gz JDSJQNHRMCCLOJ-UHFFFAOYSA-N 0 0 388.327 3.227 10 30 GGEERN N#Cc1cc(CN2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)ccn1 ZINC000610992099 566879154 /nfs/dbraw/zinc/87/91/54/566879154.db2.gz YSDYAFXLGKBELM-UHFFFAOYSA-N 0 0 375.259 3.218 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)Nc1cc(I)ccc1O ZINC000610987090 566879475 /nfs/dbraw/zinc/87/94/75/566879475.db2.gz DKIKSHSMKWVGTR-UHFFFAOYSA-N 0 0 378.169 3.429 10 30 GGEERN C=CCCn1cc(CS(=O)(=O)Cc2nc(C3CCCCC3)cs2)nn1 ZINC000656175305 566880211 /nfs/dbraw/zinc/88/02/11/566880211.db2.gz XIVKBJJUVWASQX-UHFFFAOYSA-N 0 0 380.539 3.473 10 30 GGEERN CC[C@@H](NS(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1)[C@H](O)C(F)F ZINC000632391133 566881428 /nfs/dbraw/zinc/88/14/28/566881428.db2.gz SZFMXLJMGYEPOT-ZJUUUORDSA-N 0 0 397.312 3.024 10 30 GGEERN N#Cc1cc(F)c(N2CCC(Oc3cnccn3)CC2)cc1Br ZINC000518564002 566892040 /nfs/dbraw/zinc/89/20/40/566892040.db2.gz CQRCAMDZEQDOTJ-UHFFFAOYSA-N 0 0 377.217 3.298 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC23CCSCC3)c(C(F)(F)F)c1 ZINC000582778752 566892572 /nfs/dbraw/zinc/89/25/72/566892572.db2.gz ZXMAFJMUXRNVPA-LBPRGKRZSA-N 0 0 390.452 3.389 10 30 GGEERN C=CCOCCNC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000680101780 566893814 /nfs/dbraw/zinc/89/38/14/566893814.db2.gz MBTBGSVBAWPAEH-UHFFFAOYSA-N 0 0 386.323 3.460 10 30 GGEERN N#Cc1cncc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)c1 ZINC000563573672 566896916 /nfs/dbraw/zinc/89/69/16/566896916.db2.gz QPBUCJOTKWEOTQ-ZDUSSCGKSA-N 0 0 375.759 3.189 10 30 GGEERN C=CCN(C(=O)Nc1cccc(C(F)F)c1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000543652970 566897285 /nfs/dbraw/zinc/89/72/85/566897285.db2.gz QLBCSJJXQFQMAP-SNVBAGLBSA-N 0 0 378.828 3.485 10 30 GGEERN CSc1cc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)ccn1 ZINC000611230998 566901682 /nfs/dbraw/zinc/90/16/82/566901682.db2.gz RSQVKWUKXNDJIO-UHFFFAOYSA-N 0 0 375.475 3.133 10 30 GGEERN CC(C)C[C@@H](C#N)NC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000611251764 566903662 /nfs/dbraw/zinc/90/36/62/566903662.db2.gz YPKFSSUTKIJRHS-DLBZAZTESA-N 0 0 384.307 3.421 10 30 GGEERN CC(C)C[C@@H](C#N)NC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000611251766 566903925 /nfs/dbraw/zinc/90/39/25/566903925.db2.gz YPKFSSUTKIJRHS-IRXDYDNUSA-N 0 0 384.307 3.421 10 30 GGEERN N#Cc1ccc(N2CCC[C@H]2c2ccccc2I)nn1 ZINC000611240839 566904107 /nfs/dbraw/zinc/90/41/07/566904107.db2.gz HCKBZLOSSISXOJ-AWEZNQCLSA-N 0 0 376.201 3.294 10 30 GGEERN N#Cc1cccc(CNC(=O)CNc2cc(F)cc(Br)c2F)c1 ZINC000582944160 566907636 /nfs/dbraw/zinc/90/76/36/566907636.db2.gz PJSMWFQQLZWLGY-UHFFFAOYSA-N 0 0 380.192 3.327 10 30 GGEERN C[C@@H](C#N)CNC(=O)N1CCC[C@@H]1c1ccccc1I ZINC000543805213 566911084 /nfs/dbraw/zinc/91/10/84/566911084.db2.gz ZLRDCSCTOVIZIV-SMDDNHRTSA-N 0 0 383.233 3.297 10 30 GGEERN C[C@H](C#N)CNC(=O)N1CCC[C@H]1c1ccccc1I ZINC000543805212 566911862 /nfs/dbraw/zinc/91/18/62/566911862.db2.gz ZLRDCSCTOVIZIV-RISCZKNCSA-N 0 0 383.233 3.297 10 30 GGEERN CC(C)(C)[C@H](C#N)NS(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000582987755 566912173 /nfs/dbraw/zinc/91/21/73/566912173.db2.gz QRJYGKKPCZAXPH-ZDUSSCGKSA-N 0 0 382.283 3.214 10 30 GGEERN N#Cc1ccc(N(CCO)Cc2cc(Br)cs2)c([N+](=O)[O-])c1 ZINC000491612061 566912702 /nfs/dbraw/zinc/91/27/02/566912702.db2.gz FYUGBUAPPSTSKI-UHFFFAOYSA-N 0 0 382.239 3.289 10 30 GGEERN CCOc1cccc(CS(=O)(=O)Cc2cc(C#N)ccc2Br)n1 ZINC000491612990 566912876 /nfs/dbraw/zinc/91/28/76/566912876.db2.gz NIMJLMNWOWMAIA-UHFFFAOYSA-N 0 0 395.278 3.229 10 30 GGEERN CSCC[C@@H](C)N(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000543887332 566919329 /nfs/dbraw/zinc/91/93/29/566919329.db2.gz NORMEOJSQXHMIX-GFCCVEGCSA-N 0 0 377.901 3.425 10 30 GGEERN CC1(C)CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCS1 ZINC000543888633 566919416 /nfs/dbraw/zinc/91/94/16/566919416.db2.gz VYNLKTMZKJOOQI-UHFFFAOYSA-N 0 0 375.885 3.179 10 30 GGEERN C[C@@H](Oc1cccc(CO)c1)C(=O)N[C@H](C#N)c1ccccc1Br ZINC000611478720 566920635 /nfs/dbraw/zinc/92/06/35/566920635.db2.gz YLEFTIHPRFQDDD-SJKOYZFVSA-N 0 0 389.249 3.090 10 30 GGEERN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@H](C)[C@H](F)C1 ZINC000611506069 566921741 /nfs/dbraw/zinc/92/17/41/566921741.db2.gz YFTXQDJJCCXIFC-SMDDNHRTSA-N 0 0 399.260 3.305 10 30 GGEERN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@H](C)[C@@H](F)C1 ZINC000611506066 566922417 /nfs/dbraw/zinc/92/24/17/566922417.db2.gz YFTXQDJJCCXIFC-FZMZJTMJSA-N 0 0 399.260 3.305 10 30 GGEERN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@@H](C)[C@H](F)C1 ZINC000611506058 566922541 /nfs/dbraw/zinc/92/25/41/566922541.db2.gz YFTXQDJJCCXIFC-BXUZGUMPSA-N 0 0 399.260 3.305 10 30 GGEERN COc1ccc(N2CCN(Cc3cc(C#N)ccc3Br)CC2)nc1 ZINC000452057436 566928037 /nfs/dbraw/zinc/92/80/37/566928037.db2.gz LLWIKBZFKMVPMP-UHFFFAOYSA-N 0 0 387.281 3.047 10 30 GGEERN COc1ccc(N2CCN(Cc3ccc(C#N)cc3Br)CC2)nc1 ZINC000452060185 566930357 /nfs/dbraw/zinc/93/03/57/566930357.db2.gz QNQGUYIVGKPFRL-UHFFFAOYSA-N 0 0 387.281 3.047 10 30 GGEERN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cscc2C#N)c1 ZINC000492305664 566932175 /nfs/dbraw/zinc/93/21/75/566932175.db2.gz VCNHUSPOHIJNGE-GFCCVEGCSA-N 0 0 377.491 3.090 10 30 GGEERN N#Cc1cc(S(=O)(=O)N[C@@H](c2cccs2)C2(CO)CCC2)ccc1Cl ZINC000452096796 566935046 /nfs/dbraw/zinc/93/50/46/566935046.db2.gz XRCSALACGJPXHV-INIZCTEOSA-N 0 0 396.921 3.455 10 30 GGEERN COC(=O)[C@H](NCc1cc(C#N)ccc1Br)c1cccc(O)c1 ZINC000492819857 566939632 /nfs/dbraw/zinc/93/96/32/566939632.db2.gz UGSDNQAEOXZZJA-MRXNPFEDSA-N 0 0 375.222 3.030 10 30 GGEERN CC[C@@H](CSC)N(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000611842080 566941482 /nfs/dbraw/zinc/94/14/82/566941482.db2.gz XRBIWSVZEHVDIG-AWEZNQCLSA-N 0 0 377.901 3.425 10 30 GGEERN C=CCNC(=O)CN1CCN(CCSc2cc(Cl)ccc2Cl)CC1 ZINC000680939115 566942094 /nfs/dbraw/zinc/94/20/94/566942094.db2.gz RQSXXYNKTGXBGO-UHFFFAOYSA-N 0 0 388.364 3.005 10 30 GGEERN N#Cc1ccc(C2(C(=O)NCCCCn3cc(Br)cn3)CC2)cc1 ZINC000471282096 566942049 /nfs/dbraw/zinc/94/20/49/566942049.db2.gz JLABJLLBZXTORJ-UHFFFAOYSA-N 0 0 387.281 3.145 10 30 GGEERN Cn1c(Cn2cc(C#N)c(=O)c3cc(Br)ccc32)nnc1C1CCC1 ZINC000611912952 566942635 /nfs/dbraw/zinc/94/26/35/566942635.db2.gz ZWHOPBGBQVORIH-UHFFFAOYSA-N 0 0 398.264 3.080 10 30 GGEERN COCCN(Cc1cc(Br)cs1)C(=O)c1cc(C#N)cn1C ZINC000493310856 566945906 /nfs/dbraw/zinc/94/59/06/566945906.db2.gz ORHPNAQEIPGVSX-UHFFFAOYSA-N 0 0 382.283 3.010 10 30 GGEERN N#CCc1ccc(CS(=O)(=O)N[C@H]2CCOc3c(Cl)cccc32)cc1 ZINC000519546615 566946631 /nfs/dbraw/zinc/94/66/31/566946631.db2.gz VDORFKQKHGSLII-KRWDZBQOSA-N 0 0 376.865 3.349 10 30 GGEERN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@](C)(F)C1 ZINC000452194965 566950104 /nfs/dbraw/zinc/95/01/04/566950104.db2.gz NAGUWHKKEGMCCG-KRWDZBQOSA-N 0 0 399.260 3.449 10 30 GGEERN N#Cc1c(Br)cccc1OCC(=O)NCCCC1CCOCC1 ZINC000452195979 566950555 /nfs/dbraw/zinc/95/05/55/566950555.db2.gz CENXNAZQVZYQKK-UHFFFAOYSA-N 0 0 381.270 3.023 10 30 GGEERN CCN(C[C@H](C)C#N)C(=O)CNc1cc(Br)cc([N+](=O)[O-])c1C ZINC000429791923 566951151 /nfs/dbraw/zinc/95/11/51/566951151.db2.gz QBARWXJBZMESLL-SNVBAGLBSA-N 0 0 383.246 3.086 10 30 GGEERN Cc1c(NCC(=O)N[C@](C)(C#N)C(C)C)cc(Br)cc1[N+](=O)[O-] ZINC000429802743 566951265 /nfs/dbraw/zinc/95/12/65/566951265.db2.gz ZEOLNBBWVZHWIW-OAHLLOKOSA-N 0 0 383.246 3.132 10 30 GGEERN C[C@H](C#N)CN(C1CC1)S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429829767 566954943 /nfs/dbraw/zinc/95/49/43/566954943.db2.gz MJESRCZSHCGAJH-SECBINFHSA-N 0 0 377.691 3.415 10 30 GGEERN N#Cc1c(F)cc(CNC(=O)COc2ccc(Br)cc2)cc1F ZINC000564231911 566956915 /nfs/dbraw/zinc/95/69/15/566956915.db2.gz RODSZAMBBSIHGI-UHFFFAOYSA-N 0 0 381.176 3.294 10 30 GGEERN N#CC1(CS(=O)(=O)N(Cc2cccc(Br)c2)C2CC2)CCC1 ZINC000564251959 566958608 /nfs/dbraw/zinc/95/86/08/566958608.db2.gz LWUJOUHRVMTFPC-UHFFFAOYSA-N 0 0 383.311 3.437 10 30 GGEERN COc1cc(Br)ccc1CNS(=O)(=O)c1cc(C#N)ccc1C ZINC000493896792 566959260 /nfs/dbraw/zinc/95/92/60/566959260.db2.gz JIXIZXKHPVYHNB-UHFFFAOYSA-N 0 0 395.278 3.116 10 30 GGEERN C=CCn1c(C2CC2)nnc1N(CCO)Cc1cc(Br)cs1 ZINC000519695554 566959635 /nfs/dbraw/zinc/95/96/35/566959635.db2.gz VCYRYQCSQRXYGF-UHFFFAOYSA-N 0 0 383.315 3.164 10 30 GGEERN C[C@H](C#N)CN(C1CC1)S(=O)(=O)c1cccc(Cl)c1Br ZINC000493945432 566964223 /nfs/dbraw/zinc/96/42/23/566964223.db2.gz RATGSPRNRSLXGN-SECBINFHSA-N 0 0 377.691 3.415 10 30 GGEERN C[C@@H](C#N)CN(C1CC1)S(=O)(=O)c1cccc(Cl)c1Br ZINC000493945433 566964336 /nfs/dbraw/zinc/96/43/36/566964336.db2.gz RATGSPRNRSLXGN-VIFPVBQESA-N 0 0 377.691 3.415 10 30 GGEERN CN(Cc1ccc(F)cc1Br)S(=O)(=O)CC1(C#N)CCC1 ZINC000564340270 566965870 /nfs/dbraw/zinc/96/58/70/566965870.db2.gz BTUAEKYAVLZDAL-UHFFFAOYSA-N 0 0 375.263 3.044 10 30 GGEERN N#C[C@H](NC(=O)[C@@H]1Cc2cc(Br)ccc2O1)c1ccc(F)cc1 ZINC000471641655 566967929 /nfs/dbraw/zinc/96/79/29/566967929.db2.gz GCBOHSBIAZEIEW-HOCLYGCPSA-N 0 0 375.197 3.273 10 30 GGEERN Cc1csc([C@H](C)NC(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)n1 ZINC000429944464 566968772 /nfs/dbraw/zinc/96/87/72/566968772.db2.gz NJUCUCKVWYTDRR-RYUDHWBXSA-N 0 0 378.479 3.020 10 30 GGEERN Cc1csc([C@@H](C)NC(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)n1 ZINC000429944475 566969293 /nfs/dbraw/zinc/96/92/93/566969293.db2.gz NJUCUCKVWYTDRR-VXGBXAGGSA-N 0 0 378.479 3.020 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]1c1ccc(Br)cn1 ZINC000583627508 566969589 /nfs/dbraw/zinc/96/95/89/566969589.db2.gz GAVHJWKJVUJODR-MAZHCROVSA-N 0 0 380.286 3.282 10 30 GGEERN O=C(NCC[C@H](O)C(F)(F)F)Nc1cc(F)ccc1OCC(F)(F)F ZINC000494098286 566971466 /nfs/dbraw/zinc/97/14/66/566971466.db2.gz MMLSZHAYZARIOD-JTQLQIEISA-N 0 0 378.244 3.202 10 30 GGEERN C[C@@H](Cc1ccc(F)c(Br)c1)NS(=O)(=O)CC1(C#N)CCC1 ZINC000583661300 566971630 /nfs/dbraw/zinc/97/16/30/566971630.db2.gz JMPUEMZAFYRGDX-NSHDSACASA-N 0 0 389.290 3.132 10 30 GGEERN N#CC1(C(=O)N2CC[C@H](Cc3cccc(I)c3)C2)CCC1 ZINC000452373640 566971828 /nfs/dbraw/zinc/97/18/28/566971828.db2.gz WKWNURVEALACHQ-CQSZACIVSA-N 0 0 394.256 3.376 10 30 GGEERN Cc1nc(CNC(=O)c2cc(C#N)cc(N(C)C)c2)sc1Br ZINC000452396954 566974267 /nfs/dbraw/zinc/97/42/67/566974267.db2.gz JQLMDDZREMAXII-UHFFFAOYSA-N 0 0 379.283 3.082 10 30 GGEERN N#Cc1cc(Br)cc(S(=O)(=O)N[C@H]2C[C@H]2c2ccccc2)c1 ZINC000430005593 566974235 /nfs/dbraw/zinc/97/42/35/566974235.db2.gz VULWJMYXNMTSEY-HOTGVXAUSA-N 0 0 377.263 3.155 10 30 GGEERN N#Cc1cc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccccc2Br)ccc1F ZINC000430017940 566976721 /nfs/dbraw/zinc/97/67/21/566976721.db2.gz KLWALVBXQQPUQJ-XJKSGUPXSA-N 0 0 395.253 3.294 10 30 GGEERN COCCN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000519890620 566977543 /nfs/dbraw/zinc/97/75/43/566977543.db2.gz ISBIKXUODAICQW-UHFFFAOYSA-N 0 0 378.881 3.091 10 30 GGEERN C=CCN(CC(F)(F)F)C(=O)COc1ccc(I)cc1 ZINC000519903157 566977604 /nfs/dbraw/zinc/97/76/04/566977604.db2.gz CLZZONREWAGISE-UHFFFAOYSA-N 0 0 399.150 3.247 10 30 GGEERN COc1cc(CNC(=O)COc2ccccc2Br)ccc1C#N ZINC000564514623 566981305 /nfs/dbraw/zinc/98/13/05/566981305.db2.gz WTMYJECMBDHASS-UHFFFAOYSA-N 0 0 375.222 3.025 10 30 GGEERN N#CC1(CNC(=O)NCc2ccc(I)cc2Cl)CC1 ZINC000583789425 566983944 /nfs/dbraw/zinc/98/39/44/566983944.db2.gz NZXOKZFJIGLYOB-UHFFFAOYSA-N 0 0 389.624 3.048 10 30 GGEERN C[C@@H](Cc1ccccc1Br)NS(=O)(=O)CC1(C#N)CCCC1 ZINC000544714712 566986450 /nfs/dbraw/zinc/98/64/50/566986450.db2.gz NTJXLTGDKNFVGR-ZDUSSCGKSA-N 0 0 385.327 3.383 10 30 GGEERN COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)c1 ZINC000471926270 566986737 /nfs/dbraw/zinc/98/67/37/566986737.db2.gz BDKSAEWRNKXZFD-UHFFFAOYSA-N 0 0 382.800 3.247 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)CCCC1 ZINC000544721536 566986978 /nfs/dbraw/zinc/98/69/78/566986978.db2.gz MAPGPMPPSFLTQG-GJZGRUSLSA-N 0 0 383.311 3.308 10 30 GGEERN C[C@](CNC(=O)CCC(F)(F)F)(NC(=O)CCC(F)(F)F)C(F)(F)F ZINC000583820036 566987121 /nfs/dbraw/zinc/98/71/21/566987121.db2.gz QNSMGZLMXRLRHR-SECBINFHSA-N 0 0 390.246 3.225 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)CCCC1 ZINC000544721535 566987185 /nfs/dbraw/zinc/98/71/85/566987185.db2.gz MAPGPMPPSFLTQG-CABCVRRESA-N 0 0 383.311 3.308 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CCCC1 ZINC000544721538 566987323 /nfs/dbraw/zinc/98/73/23/566987323.db2.gz MAPGPMPPSFLTQG-LSDHHAIUSA-N 0 0 383.311 3.308 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000430133169 566987748 /nfs/dbraw/zinc/98/77/48/566987748.db2.gz PEBZHSSHUHPKSW-INIZCTEOSA-N 0 0 387.277 3.210 10 30 GGEERN N#CC1(CS(=O)(=O)N2CCN(c3ccc(F)cc3Cl)CC2)CCCC1 ZINC000544725700 566988073 /nfs/dbraw/zinc/98/80/73/566988073.db2.gz JFDRCBVZLXGKCD-UHFFFAOYSA-N 0 0 385.892 3.015 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCCc1cc(Cl)ccc1Br ZINC000612699120 566989516 /nfs/dbraw/zinc/98/95/16/566989516.db2.gz KFTRJTCALRYDCE-HNNXBMFYSA-N 0 0 387.705 3.232 10 30 GGEERN C[C@H](Cc1cccc(Br)c1)NS(=O)(=O)CC1(C#N)CCCC1 ZINC000544747298 566990671 /nfs/dbraw/zinc/99/06/71/566990671.db2.gz ZIRJXTPSDJISKE-CYBMUJFWSA-N 0 0 385.327 3.383 10 30 GGEERN COc1ccc(Br)c(C(=O)NCc2ccc(C#N)c(OC)c2)c1 ZINC000520295866 566995970 /nfs/dbraw/zinc/99/59/70/566995970.db2.gz ADFMPTHITHGNKR-UHFFFAOYSA-N 0 0 375.222 3.268 10 30 GGEERN COc1cc(Br)ccc1CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430180341 566996924 /nfs/dbraw/zinc/99/69/24/566996924.db2.gz SIHQGDLJGOXOGS-INIZCTEOSA-N 0 0 388.265 3.378 10 30 GGEERN N#Cc1ccccc1OCC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000564672388 566997754 /nfs/dbraw/zinc/99/77/54/566997754.db2.gz SQXZUXOSRQCADG-UHFFFAOYSA-N 0 0 376.166 3.246 10 30 GGEERN N#Cc1cccc(N2CCN(C(=O)Cc3c(Cl)cccc3Cl)CC2)n1 ZINC000544831702 566999349 /nfs/dbraw/zinc/99/93/49/566999349.db2.gz KGJVAVXBOPKBBF-UHFFFAOYSA-N 0 0 375.259 3.151 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1cnn(-c2ccc(Br)cc2)c1 ZINC000564727901 567002527 /nfs/dbraw/zinc/00/25/27/567002527.db2.gz OVLQYFRXCFJOFX-IAGOWNOFSA-N 0 0 390.281 3.232 10 30 GGEERN N#Cc1cccc(N2CCN(Cc3ccc(F)cc3Br)CC2)n1 ZINC000544876627 567003938 /nfs/dbraw/zinc/00/39/38/567003938.db2.gz BJIKZNQHSBILCX-UHFFFAOYSA-N 0 0 375.245 3.177 10 30 GGEERN C=CC[C@H](CO)CNC(=O)NCc1ccc(Br)cc1C(F)(F)F ZINC000564744974 567004421 /nfs/dbraw/zinc/00/44/21/567004421.db2.gz HKJGRRQRVMDHAF-JTQLQIEISA-N 0 0 395.219 3.452 10 30 GGEERN C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000657036567 567005505 /nfs/dbraw/zinc/00/55/05/567005505.db2.gz JTMKUCGEXHXIFF-ZBFHGGJFSA-N 0 0 382.551 3.066 10 30 GGEERN C=CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000657036566 567005590 /nfs/dbraw/zinc/00/55/90/567005590.db2.gz JTMKUCGEXHXIFF-HOCLYGCPSA-N 0 0 382.551 3.066 10 30 GGEERN CC(C)(C)Oc1ccc(NC(=O)c2cc(S(C)(=O)=O)cs2)cc1C#N ZINC000452691201 567005726 /nfs/dbraw/zinc/00/57/26/567005726.db2.gz YZGSLFTVZTWNRI-UHFFFAOYSA-N 0 0 378.475 3.453 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)Cc1cc(Br)ccc1F ZINC000612988538 567009160 /nfs/dbraw/zinc/00/91/60/567009160.db2.gz PZOGYCVPIWMXHW-BZNIZROVSA-N 0 0 385.277 3.106 10 30 GGEERN C=CCCC1(CNS(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)CCCC1 ZINC000657064569 567009140 /nfs/dbraw/zinc/00/91/40/567009140.db2.gz LFXRTPNYKVLTKY-UHFFFAOYSA-N 0 0 385.551 3.036 10 30 GGEERN C=CCN([C@H](C)COC)S(=O)(=O)c1c(Cl)cccc1Br ZINC000657073615 567010199 /nfs/dbraw/zinc/01/01/99/567010199.db2.gz OZZLSPSIGBJYES-SNVBAGLBSA-N 0 0 382.707 3.314 10 30 GGEERN CCCS(=O)(=O)Nc1cc(NC(=O)c2cscc2C#N)c(F)cc1F ZINC000584119996 567013539 /nfs/dbraw/zinc/01/35/39/567013539.db2.gz SMDINBMEJUDASN-UHFFFAOYSA-N 0 0 385.417 3.302 10 30 GGEERN CO[C@H](C(=O)N[C@@H](C#N)c1ccc(Br)cc1)c1ccc(O)cc1 ZINC000494614659 567013722 /nfs/dbraw/zinc/01/37/22/567013722.db2.gz URWLNSWOSIJPEA-HOTGVXAUSA-N 0 0 375.222 3.223 10 30 GGEERN C[C@@](O)(CNC(=O)c1c(F)c(F)c(Br)c(F)c1F)C(F)(F)F ZINC000613108836 567014852 /nfs/dbraw/zinc/01/48/52/567014852.db2.gz XHPYIQXTZBLVFF-SNVBAGLBSA-N 0 0 398.072 3.049 10 30 GGEERN CCOc1cc(C#N)cc(Br)c1OCc1nc(-c2ccon2)no1 ZINC000545071957 567018685 /nfs/dbraw/zinc/01/86/85/567018685.db2.gz ZOCYNWVRGINABO-UHFFFAOYSA-N 0 0 391.181 3.336 10 30 GGEERN CC(C)[C@@H]1C[C@@H](CNC(=O)COc2cccc(Br)c2C#N)CCO1 ZINC000452823881 567020827 /nfs/dbraw/zinc/02/08/27/567020827.db2.gz RGLVLOWDAPBCLV-GUYCJALGSA-N 0 0 395.297 3.267 10 30 GGEERN C=CCC1(NS(=O)(=O)c2cc(OC)cc(C(F)(F)F)c2)CCOCC1 ZINC000657129588 567021031 /nfs/dbraw/zinc/02/10/31/567021031.db2.gz ULLMCEZSYHLQER-UHFFFAOYSA-N 0 0 379.400 3.118 10 30 GGEERN CC(C)[C@@H]1C[C@H](CNC(=O)COc2cccc(Br)c2C#N)CCO1 ZINC000452823878 567021216 /nfs/dbraw/zinc/02/12/16/567021216.db2.gz RGLVLOWDAPBCLV-DYVFJYSZSA-N 0 0 395.297 3.267 10 30 GGEERN N#Cc1ccc(NC(=O)c2c(F)cccc2I)cc1C#N ZINC000472360058 567022319 /nfs/dbraw/zinc/02/23/19/567022319.db2.gz ODMQZXMZJOEMPD-UHFFFAOYSA-N 0 0 391.143 3.426 10 30 GGEERN C=CCN(C(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000494810678 567023232 /nfs/dbraw/zinc/02/32/32/567023232.db2.gz MSNPWEAEFGZSEV-INIZCTEOSA-N 0 0 378.881 3.150 10 30 GGEERN CC(=O)c1cc(Br)ccc1OCC(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000634197129 567024555 /nfs/dbraw/zinc/02/45/55/567024555.db2.gz GNOLGUUVTVQCBR-SWLSCSKDSA-N 0 0 379.254 3.181 10 30 GGEERN C=CCOCCCNS(=O)(=O)c1ccc2ccccc2c1Br ZINC000657149039 567025041 /nfs/dbraw/zinc/02/50/41/567025041.db2.gz IOFOJKGUMPMCOV-UHFFFAOYSA-N 0 0 384.295 3.473 10 30 GGEERN C=CCn1c(SCC(=O)NC2COC2)nnc1-c1ccc(Cl)cc1Cl ZINC000634251641 567027065 /nfs/dbraw/zinc/02/70/65/567027065.db2.gz JBPYKTXHIHDYCQ-UHFFFAOYSA-N 0 0 399.303 3.045 10 30 GGEERN CN(Cc1cnc2c(C#N)cnn2c1)[C@H]1CCOc2ccc(Br)cc21 ZINC000564984809 567027520 /nfs/dbraw/zinc/02/75/20/567027520.db2.gz BUNRIGAPPKBTSB-INIZCTEOSA-N 0 0 398.264 3.319 10 30 GGEERN CN(Cc1cnc2c(C#N)cnn2c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000564984812 567027962 /nfs/dbraw/zinc/02/79/62/567027962.db2.gz BUNRIGAPPKBTSB-MRXNPFEDSA-N 0 0 398.264 3.319 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000613305489 567029923 /nfs/dbraw/zinc/02/99/23/567029923.db2.gz RJWQPVOMELVYBD-SUMWQHHRSA-N 0 0 384.307 3.159 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000613305486 567030073 /nfs/dbraw/zinc/03/00/73/567030073.db2.gz RJWQPVOMELVYBD-DYVFJYSZSA-N 0 0 384.307 3.159 10 30 GGEERN N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C2(CF)CCC2)CC1 ZINC000565013544 567031227 /nfs/dbraw/zinc/03/12/27/567031227.db2.gz IANROHRGTGFSRW-INIZCTEOSA-N 0 0 394.288 3.298 10 30 GGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cnn(C)c1C(F)F ZINC000682115815 567032382 /nfs/dbraw/zinc/03/23/82/567032382.db2.gz GNMHLNLAWQROPO-UHFFFAOYSA-N 0 0 388.827 3.226 10 30 GGEERN C[C@@H](Oc1ccccc1C#N)C(=O)NCCOc1ccc(Br)cc1 ZINC000520961397 567033397 /nfs/dbraw/zinc/03/33/97/567033397.db2.gz SFQMQRMCACOGCG-CYBMUJFWSA-N 0 0 389.249 3.283 10 30 GGEERN N#Cc1ccc(CN2CCN(Cc3ccc(Cl)s3)CC2)c([N+](=O)[O-])c1 ZINC000565049390 567034684 /nfs/dbraw/zinc/03/46/84/567034684.db2.gz ZWLZSSLVZWWYRN-UHFFFAOYSA-N 0 0 376.869 3.499 10 30 GGEERN C=C(C)C[C@@H](C)C(=O)N1Cc2cccc(Br)c2C[C@@H]1C(=O)OC ZINC000452961349 567037123 /nfs/dbraw/zinc/03/71/23/567037123.db2.gz UHKYGQZNWJGHTA-MLGOLLRUSA-N 0 0 380.282 3.478 10 30 GGEERN C=CCn1c(SC[C@H](OC)[C@@H]2CCOC2)nc2sc(C)c(C)c2c1=O ZINC000657229253 567037865 /nfs/dbraw/zinc/03/78/65/567037865.db2.gz FIIIEKDPSOUHSG-KGLIPLIRSA-N 0 0 380.535 3.404 10 30 GGEERN N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC(F)(c2ccccn2)CC1 ZINC000565084309 567038206 /nfs/dbraw/zinc/03/82/06/567038206.db2.gz UIRNAQYQEUXFKP-UHFFFAOYSA-N 0 0 379.844 3.256 10 30 GGEERN C=CCn1c(SC[C@H](OC)[C@H]2CCOC2)nc2cc(Cl)ccc2c1=O ZINC000657223282 567038388 /nfs/dbraw/zinc/03/83/88/567038388.db2.gz QDMURLDDMCNEBC-LRDDRELGSA-N 0 0 380.897 3.380 10 30 GGEERN O=S(=O)(NCc1c(F)c(F)cc(F)c1F)c1cnccc1C(F)(F)F ZINC000682369920 567039651 /nfs/dbraw/zinc/03/96/51/567039651.db2.gz LRBJZHXNBIAMOE-UHFFFAOYSA-N 0 0 388.264 3.135 10 30 GGEERN N#CCC1(CNC(=O)NCc2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000430961220 567041680 /nfs/dbraw/zinc/04/16/80/567041680.db2.gz CFFJCRGFVMHDLQ-UHFFFAOYSA-N 0 0 388.269 3.128 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)CCCC1 ZINC000545363647 567043166 /nfs/dbraw/zinc/04/31/66/567043166.db2.gz LFURVWWALKDZMV-HNNXBMFYSA-N 0 0 381.929 3.312 10 30 GGEERN COc1ccccc1SC[C@@H](C)CNS(=O)(=O)CC1(C#N)CCCC1 ZINC000545357379 567043389 /nfs/dbraw/zinc/04/33/89/567043389.db2.gz DUDBRIPYHOBUIW-HNNXBMFYSA-N 0 0 382.551 3.427 10 30 GGEERN COCCSc1ccc([C@H](C)NS(=O)(=O)CC2(C#N)CCCC2)cc1 ZINC000545356540 567043463 /nfs/dbraw/zinc/04/34/63/567043463.db2.gz CXAFIRAJAZSQMT-HNNXBMFYSA-N 0 0 382.551 3.489 10 30 GGEERN C=CCN(Cc1cccs1)S(=O)(=O)c1cc(C(=O)OC)cc(F)c1C ZINC000472665188 567043393 /nfs/dbraw/zinc/04/33/93/567043393.db2.gz VXINATXZCSRJJS-UHFFFAOYSA-N 0 0 383.466 3.359 10 30 GGEERN COc1ccccc1SC[C@H](C)CNS(=O)(=O)CC1(C#N)CCCC1 ZINC000545357380 567043640 /nfs/dbraw/zinc/04/36/40/567043640.db2.gz DUDBRIPYHOBUIW-OAHLLOKOSA-N 0 0 382.551 3.427 10 30 GGEERN CN1CC[C@H](NS(=O)(=O)CC2(C#N)CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000545370115 567045112 /nfs/dbraw/zinc/04/51/12/567045112.db2.gz RRIVSCXVOIJTJG-IRXDYDNUSA-N 0 0 381.929 3.089 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000613570949 567045759 /nfs/dbraw/zinc/04/57/59/567045759.db2.gz KCIMXXFLZXABGV-MRXNPFEDSA-N 0 0 384.307 3.113 10 30 GGEERN N#CC1(CS(=O)(=O)NCCOc2ccc(C(F)(F)F)cc2)CCCC1 ZINC000545386448 567046097 /nfs/dbraw/zinc/04/60/97/567046097.db2.gz SHTOXWPYLXYFDW-UHFFFAOYSA-N 0 0 376.400 3.088 10 30 GGEERN CC(C)(C)c1nn(CCS(=O)(=O)c2cccc(C#N)c2)cc1Br ZINC000453030640 567046233 /nfs/dbraw/zinc/04/62/33/567046233.db2.gz YGTCHESHPQRFOT-UHFFFAOYSA-N 0 0 396.310 3.289 10 30 GGEERN COc1ccc(C(=O)NCc2ccc(C#N)c(OC)c2)c(Br)c1 ZINC000584503307 567049083 /nfs/dbraw/zinc/04/90/83/567049083.db2.gz KVAWREWGPRCCJZ-UHFFFAOYSA-N 0 0 375.222 3.268 10 30 GGEERN COC(=O)[C@@H](CF)NCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000584534407 567050418 /nfs/dbraw/zinc/05/04/18/567050418.db2.gz OPZXXFDATYDANF-PWSUYJOCSA-N 0 0 377.256 3.159 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000613702255 567055144 /nfs/dbraw/zinc/05/51/44/567055144.db2.gz PKTQOSZZQNZGHU-CQSZACIVSA-N 0 0 378.885 3.192 10 30 GGEERN C=CCOc1c(Br)cc(CN2C[C@@H](O)CC(F)(F)C2)cc1OC ZINC000682559854 567059517 /nfs/dbraw/zinc/05/95/17/567059517.db2.gz KYBFFMWIDCTUFQ-LBPRGKRZSA-N 0 0 392.240 3.224 10 30 GGEERN C[C@@H]1COCC[C@H]1c1noc(COc2cccc(Br)c2C#N)n1 ZINC000453169155 567059633 /nfs/dbraw/zinc/05/96/33/567059633.db2.gz GFHZFSYKENBFSJ-GHMZBOCLSA-N 0 0 378.226 3.423 10 30 GGEERN C[C@H]1COCC[C@@H]1c1noc(COc2cccc(Br)c2C#N)n1 ZINC000453169159 567059817 /nfs/dbraw/zinc/05/98/17/567059817.db2.gz GFHZFSYKENBFSJ-QWRGUYRKSA-N 0 0 378.226 3.423 10 30 GGEERN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NCC1(CC#N)CC1 ZINC000431159564 567060273 /nfs/dbraw/zinc/06/02/73/567060273.db2.gz IDLXXKBDEOYSAX-AWEZNQCLSA-N 0 0 380.535 3.161 10 30 GGEERN COc1cc(Br)ccc1CN1CCN(c2cccc(C#N)n2)CC1 ZINC000545552828 567061556 /nfs/dbraw/zinc/06/15/56/567061556.db2.gz CYWAQMHPOZRKLR-UHFFFAOYSA-N 0 0 387.281 3.047 10 30 GGEERN COC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1Cl ZINC000431181323 567063755 /nfs/dbraw/zinc/06/37/55/567063755.db2.gz JRDUJYJKNTVAIQ-UHFFFAOYSA-N 0 0 385.228 3.452 10 30 GGEERN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](CO)c1ccsc1 ZINC000473153180 567065907 /nfs/dbraw/zinc/06/59/07/567065907.db2.gz UCQZLJJJUXQQDK-CZUORRHYSA-N 0 0 375.519 3.262 10 30 GGEERN N#Cc1cc(S(=O)(=O)NC[C@H]2CC23CCSCC3)ccc1C(F)(F)F ZINC000584773638 567069159 /nfs/dbraw/zinc/06/91/59/567069159.db2.gz QKJNMOLWUNMKFL-GFCCVEGCSA-N 0 0 390.452 3.389 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000613901231 567069517 /nfs/dbraw/zinc/06/95/17/567069517.db2.gz GZIXLRKOFVPZBR-GOEBONIOSA-N 0 0 384.307 3.159 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000613901233 567069733 /nfs/dbraw/zinc/06/97/33/567069733.db2.gz GZIXLRKOFVPZBR-HOCLYGCPSA-N 0 0 384.307 3.159 10 30 GGEERN C=CCn1c(SCCC2CS(=O)(=O)C2)nnc1-c1cccc(Cl)c1 ZINC000584819837 567073393 /nfs/dbraw/zinc/07/33/93/567073393.db2.gz TYZYOOLQKFDBIW-UHFFFAOYSA-N 0 0 383.926 3.311 10 30 GGEERN N#Cc1ccnc(N2CCN(C(=O)c3c(Cl)cc(F)cc3Cl)CC2)c1 ZINC000431352188 567076442 /nfs/dbraw/zinc/07/64/42/567076442.db2.gz PFOPRFPYZFQMIR-UHFFFAOYSA-N 0 0 379.222 3.362 10 30 GGEERN Cc1cc(C#N)cc(N2CCN(Cc3ccc(Br)s3)CC2)n1 ZINC000585702273 567080149 /nfs/dbraw/zinc/08/01/49/567080149.db2.gz LSJSQYLFJQJHRO-UHFFFAOYSA-N 0 0 377.311 3.408 10 30 GGEERN CS(=O)(=O)[C@@H]1CCCCN(c2c(Br)cc(Cl)cc2C#N)C1 ZINC000521924529 567086677 /nfs/dbraw/zinc/08/66/77/567086677.db2.gz YCJCBBOMINIDSY-GFCCVEGCSA-N 0 0 391.718 3.378 10 30 GGEERN CN(CC(C)(C)C#N)C(=O)c1ccc2cc(I)ccc2n1 ZINC000497260839 567087048 /nfs/dbraw/zinc/08/70/48/567087048.db2.gz KFADFXRUYUROCY-UHFFFAOYSA-N 0 0 393.228 3.461 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000614150189 567089696 /nfs/dbraw/zinc/08/96/96/567089696.db2.gz JEGXOZZHNXGSHU-KGLIPLIRSA-N 0 0 383.311 3.183 10 30 GGEERN CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000614248176 567098880 /nfs/dbraw/zinc/09/88/80/567098880.db2.gz ROANYYXCQLVSCB-RYUDHWBXSA-N 0 0 385.247 3.048 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000565808969 567101467 /nfs/dbraw/zinc/10/14/67/567101467.db2.gz ZEUJLTSNNMDLLH-PSTGCABASA-N 0 0 396.281 3.379 10 30 GGEERN COc1ccc(CNS(=O)(=O)CC2(C#N)CCCC2)c(C(F)(F)F)c1 ZINC000546073178 567101637 /nfs/dbraw/zinc/10/16/37/567101637.db2.gz WFYHESSIVBAEST-UHFFFAOYSA-N 0 0 376.400 3.217 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000565808970 567101813 /nfs/dbraw/zinc/10/18/13/567101813.db2.gz ZEUJLTSNNMDLLH-XWCIJXRUSA-N 0 0 396.281 3.379 10 30 GGEERN COCCN(Cc1ccc(F)cc1Cl)S(=O)(=O)CC1(C#N)CCCC1 ZINC000546073408 567102294 /nfs/dbraw/zinc/10/22/94/567102294.db2.gz PZKCVSACTIYZLP-UHFFFAOYSA-N 0 0 388.892 3.341 10 30 GGEERN N#CC1(CS(=O)(=O)NC2(c3ccc(Br)cc3)CC2)CCCC1 ZINC000546092752 567103448 /nfs/dbraw/zinc/10/34/48/567103448.db2.gz MEHYPUYBKXEGJV-UHFFFAOYSA-N 0 0 383.311 3.442 10 30 GGEERN N#C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(Br)cc1 ZINC000522202313 567104661 /nfs/dbraw/zinc/10/46/61/567104661.db2.gz WBGZRXMNJMEIRV-PBHICJAKSA-N 0 0 398.260 3.183 10 30 GGEERN N#C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(Br)cc1 ZINC000522202314 567105567 /nfs/dbraw/zinc/10/55/67/567105567.db2.gz WBGZRXMNJMEIRV-RHSMWYFYSA-N 0 0 398.260 3.183 10 30 GGEERN N#CC1(CS(=O)(=O)NCc2ccccc2OCC(F)(F)F)CCCC1 ZINC000546092935 567105945 /nfs/dbraw/zinc/10/59/45/567105945.db2.gz SJVGXSKIIUJGCX-UHFFFAOYSA-N 0 0 376.400 3.131 10 30 GGEERN N#Cc1ccc(OCCNS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1 ZINC000473851739 567108008 /nfs/dbraw/zinc/10/80/08/567108008.db2.gz HNYKMASKNCQQDW-UHFFFAOYSA-N 0 0 389.235 3.361 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cc(F)c(F)cc1Br ZINC000565888472 567108122 /nfs/dbraw/zinc/10/81/22/567108122.db2.gz YYMUINQBJMFZBO-XPTSAGLGSA-N 0 0 375.213 3.118 10 30 GGEERN Cc1cc(C#N)cc(N2CCN(Cc3ccc(Br)c(F)c3)CC2)n1 ZINC000588001047 567108407 /nfs/dbraw/zinc/10/84/07/567108407.db2.gz DBTWWMZJOZUCKV-UHFFFAOYSA-N 0 0 389.272 3.486 10 30 GGEERN CCS(=O)(=O)C1CCN(c2c(Br)cc(Cl)cc2C#N)CC1 ZINC000588035026 567109897 /nfs/dbraw/zinc/10/98/97/567109897.db2.gz UXWOKAMSWMENIV-UHFFFAOYSA-N 0 0 391.718 3.378 10 30 GGEERN N#CCC1CCN(C(=O)c2ncc(Br)cc2Br)CC1 ZINC000546158226 567110754 /nfs/dbraw/zinc/11/07/54/567110754.db2.gz WKBHFUUDQFEUES-UHFFFAOYSA-N 0 0 387.075 3.372 10 30 GGEERN N#Cc1c(Br)cccc1S(=O)(=O)NCc1ccc(Cl)o1 ZINC000588109815 567114399 /nfs/dbraw/zinc/11/43/99/567114399.db2.gz PHFSAUCURWBXEO-UHFFFAOYSA-N 0 0 375.631 3.046 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/nfs/dbraw/zinc/28/59/90/567285990.db2.gz HAVZEYNKUJQHLA-UHFFFAOYSA-N 0 0 396.159 3.319 10 30 GGEERN N#Cc1ccc(I)c(OCc2nc(-c3ccoc3)no2)c1 ZINC000499996004 567288786 /nfs/dbraw/zinc/28/87/86/567288786.db2.gz LOOSNRKCZRVIQJ-UHFFFAOYSA-N 0 0 393.140 3.385 10 30 GGEERN CNC(=O)c1cccc(COc2cc(C#N)ccc2I)c1 ZINC000499993809 567289150 /nfs/dbraw/zinc/28/91/50/567289150.db2.gz BSSCNQRWFNYFLA-UHFFFAOYSA-N 0 0 392.196 3.101 10 30 GGEERN O=C(Cc1ccc(OC(F)(F)F)cc1)NCCOCC(F)(F)C(F)F ZINC000434041189 567291201 /nfs/dbraw/zinc/29/12/01/567291201.db2.gz HPTJNOFJFLFQLJ-UHFFFAOYSA-N 0 0 377.256 3.161 10 30 GGEERN CC(C)[C@]1(C2CC2)NC(=O)N(Cc2ccc(C#N)cc2Br)C1=O ZINC000500023800 567291686 /nfs/dbraw/zinc/29/16/86/567291686.db2.gz JMXRVPKXNSIKIJ-QGZVFWFLSA-N 0 0 376.254 3.177 10 30 GGEERN CC(C)[C@@]1(C2CC2)NC(=O)N(Cc2ccc(C#N)cc2Br)C1=O ZINC000500023799 567292071 /nfs/dbraw/zinc/29/20/71/567292071.db2.gz JMXRVPKXNSIKIJ-KRWDZBQOSA-N 0 0 376.254 3.177 10 30 GGEERN CCOC(=O)C1(CC(=O)N[C@H](C#N)c2ccc(Br)cc2)CCC1 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/nfs/dbraw/zinc/31/13/48/567311348.db2.gz CGWRCENTEYLXCW-UHFFFAOYSA-N 0 0 375.259 3.218 10 30 GGEERN Cn1cc(Br)c2ccc(S(=O)(=O)N3CCC[C@](C)(C#N)C3)cc21 ZINC000592046132 567311806 /nfs/dbraw/zinc/31/18/06/567311806.db2.gz PJUCHVNJLVXALA-MRXNPFEDSA-N 0 0 396.310 3.255 10 30 GGEERN C[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H]1Oc2ccccc2[C@H]1C ZINC000476312020 567313522 /nfs/dbraw/zinc/31/35/22/567313522.db2.gz RBMBXXUFRRZWDT-FTLABTOESA-N 0 0 376.865 3.443 10 30 GGEERN N#Cc1cnccc1CN1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000592106641 567314246 /nfs/dbraw/zinc/31/42/46/567314246.db2.gz JFWVQQHIGYFWLX-QGZVFWFLSA-N 0 0 376.229 3.428 10 30 GGEERN Cc1cc(Br)ccc1CN(C)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000434612253 567315629 /nfs/dbraw/zinc/31/56/29/567315629.db2.gz PVRIBYADZBDZDW-UHFFFAOYSA-N 0 0 386.249 3.226 10 30 GGEERN COC(=O)CCN(Cc1cccc(Br)c1)Cc1ccncc1C#N ZINC000592115266 567316032 /nfs/dbraw/zinc/31/60/32/567316032.db2.gz XHAROLBHOZXYLM-UHFFFAOYSA-N 0 0 388.265 3.281 10 30 GGEERN COc1ccccc1[C@]1(C)C[C@H]1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476337135 567315925 /nfs/dbraw/zinc/31/59/25/567315925.db2.gz JWWAPKTVMNOQEA-MSOLQXFVSA-N 0 0 376.865 3.229 10 30 GGEERN C[C@@H](NCc1ccncc1C#N)c1ccc(Br)cc1OCCCO ZINC000592121667 567316553 /nfs/dbraw/zinc/31/65/53/567316553.db2.gz ADKOBBVXJAOUKK-CYBMUJFWSA-N 0 0 390.281 3.328 10 30 GGEERN COc1ccc(COc2ccc(Cl)cc2S(=O)(=O)N(C)C)cc1C#N ZINC000434644927 567318927 /nfs/dbraw/zinc/31/89/27/567318927.db2.gz INVHANSCGWJAGL-UHFFFAOYSA-N 0 0 380.853 3.050 10 30 GGEERN C=CCN(C(=O)c1ncc(Br)cc1Br)[C@H](C)COC ZINC000617580827 567323639 /nfs/dbraw/zinc/32/36/39/567323639.db2.gz GGKADZJRDHXFQS-SECBINFHSA-N 0 0 392.091 3.270 10 30 GGEERN CN(Cc1cc(Cl)ccc1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000434774604 567327116 /nfs/dbraw/zinc/32/71/16/567327116.db2.gz KYQXYYMRCRELDB-UHFFFAOYSA-N 0 0 383.788 3.080 10 30 GGEERN N#Cc1ccc(NC(=O)N2CCO[C@]3(CCSC3)C2)cc1Br ZINC000592258767 567327074 /nfs/dbraw/zinc/32/70/74/567327074.db2.gz 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ZINC000592384931 567335124 /nfs/dbraw/zinc/33/51/24/567335124.db2.gz IXGIKHZNMOCXFD-UHFFFAOYSA-N 0 0 388.333 3.399 10 30 GGEERN CCOC(=O)C1(COC)CCN(c2cc(Br)c(C#N)cc2F)CC1 ZINC000568531988 567336017 /nfs/dbraw/zinc/33/60/17/567336017.db2.gz VNOAPCLEYGBUAU-UHFFFAOYSA-N 0 0 399.260 3.256 10 30 GGEERN C=CCOCCCNC(=O)N[C@@H](C)[C@@H](OC)c1ccc(Br)cc1 ZINC000660987156 567338449 /nfs/dbraw/zinc/33/84/49/567338449.db2.gz RAZHGBKYKOLCIF-XJKSGUPXSA-N 0 0 385.302 3.417 10 30 GGEERN COc1ccc(Br)c([C@@H](CO)N(C)C(=O)c2sccc2C#N)c1 ZINC000456107379 567341895 /nfs/dbraw/zinc/34/18/95/567341895.db2.gz RMJURUGCUMGIEY-CQSZACIVSA-N 0 0 395.278 3.196 10 30 GGEERN N#CC[C@]1(O)CCN(Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000592522551 567343680 /nfs/dbraw/zinc/34/36/80/567343680.db2.gz OMRDMDGYYIERMJ-INIZCTEOSA-N 0 0 378.295 3.423 10 30 GGEERN O=C(NCCOCC(F)(F)C(F)F)NCC(F)(F)c1ccc(F)cc1 ZINC000661068746 567344358 /nfs/dbraw/zinc/34/43/58/567344358.db2.gz DBJGIKAVHWQQNP-UHFFFAOYSA-N 0 0 376.272 3.134 10 30 GGEERN COC(=O)c1cc(NC(=O)N(C[C@H](C)C#N)C2CC2)ccc1Br ZINC000548737177 567347064 /nfs/dbraw/zinc/34/70/64/567347064.db2.gz HTJIHJOKGQCYDB-SNVBAGLBSA-N 0 0 380.242 3.392 10 30 GGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCOc2cc(Br)ccc2C1 ZINC000661119794 567350117 /nfs/dbraw/zinc/35/01/17/567350117.db2.gz KCQBKQOZYRDMIF-CXAGYDPISA-N 0 0 395.297 3.334 10 30 GGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCOc2cc(Br)ccc2C1 ZINC000661119796 567350142 /nfs/dbraw/zinc/35/01/42/567350142.db2.gz KCQBKQOZYRDMIF-GUYCJALGSA-N 0 0 395.297 3.334 10 30 GGEERN Cc1c(C#N)c(NC(=O)CCSc2ccccc2Br)nn1C ZINC000592648381 567353161 /nfs/dbraw/zinc/35/31/61/567353161.db2.gz YUKGKKOOJMSJLV-UHFFFAOYSA-N 0 0 379.283 3.484 10 30 GGEERN C[C@@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1ccccn1 ZINC000592746355 567359237 /nfs/dbraw/zinc/35/92/37/567359237.db2.gz WUIGDXWLSZFMCI-GFCCVEGCSA-N 0 0 385.265 3.029 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@@H]2c2ccc[nH]2)C1 ZINC000592751886 567360500 /nfs/dbraw/zinc/36/05/00/567360500.db2.gz ZKAXCRSRBPIXEB-GOSISDBHSA-N 0 0 399.292 3.449 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)NCC2CCSCC2)C1 ZINC000592764593 567360619 /nfs/dbraw/zinc/36/06/19/567360619.db2.gz UPKMRRDTEVNIIR-UHFFFAOYSA-N 0 0 394.338 3.016 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2ccc(Cl)o2)C1 ZINC000592749753 567360684 /nfs/dbraw/zinc/36/06/84/567360684.db2.gz WBPCJUPVCIMLCQ-UHFFFAOYSA-N 0 0 394.656 3.320 10 30 GGEERN Cc1csc(N(C)C(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1 ZINC000592763540 567360952 /nfs/dbraw/zinc/36/09/52/567360952.db2.gz UEAVYSQAMSQVNA-UHFFFAOYSA-N 0 0 391.294 3.185 10 30 GGEERN C[C@@H](c1ccncc1)N(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592754631 567361067 /nfs/dbraw/zinc/36/10/67/567361067.db2.gz CNQHLCNEFCYWBA-ZDUSSCGKSA-N 0 0 399.292 3.372 10 30 GGEERN CCc1onc(C)c1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592779625 567362115 /nfs/dbraw/zinc/36/21/15/567362115.db2.gz VDIXIEGSRJRRGN-UHFFFAOYSA-N 0 0 389.253 3.255 10 30 GGEERN COC(C)(C)C[C@@H](C)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592767114 567362280 /nfs/dbraw/zinc/36/22/80/567362280.db2.gz OTGXYEBKTFKCMO-GFCCVEGCSA-N 0 0 394.313 3.077 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)NCCCC(F)(F)F)C1 ZINC000592768637 567362332 /nfs/dbraw/zinc/36/23/32/567362332.db2.gz KNNUYLTYTZWAOG-UHFFFAOYSA-N 0 0 390.203 3.216 10 30 GGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCOc2cc(Br)ccc2C1 ZINC000661276846 567363318 /nfs/dbraw/zinc/36/33/18/567363318.db2.gz CAJWPSWZIHEUTE-CABCVRRESA-N 0 0 381.270 3.087 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H]2CCCC2(F)F)C1 ZINC000592801852 567364047 /nfs/dbraw/zinc/36/40/47/567364047.db2.gz QZVOFCCFDCRFTP-ZDUSSCGKSA-N 0 0 398.251 3.309 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NC2(c3ccc(Cl)cc3)CCOCC2)s1 ZINC000435434678 567366734 /nfs/dbraw/zinc/36/67/34/567366734.db2.gz ZKADIAKRZDJTMW-UHFFFAOYSA-N 0 0 382.894 3.257 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@H]2CCc3c2ccc(F)c3Br)CCC1 ZINC000568958300 567369112 /nfs/dbraw/zinc/36/91/12/567369112.db2.gz JDTZBBLQRFJLJL-ZDUSSCGKSA-N 0 0 387.274 3.189 10 30 GGEERN CCOC(=O)c1csc(CSc2nc(C(=O)OCC)ccc2C#N)n1 ZINC000549036710 567369371 /nfs/dbraw/zinc/36/93/71/567369371.db2.gz YNWFRCFVQVJFSP-UHFFFAOYSA-N 0 0 377.447 3.055 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)N[C@@H]2C[C@H]2c2c(F)cccc2Cl)c(F)c1 ZINC000435443179 567369824 /nfs/dbraw/zinc/36/98/24/567369824.db2.gz MLMVLFJFRAVBGW-MLGOLLRUSA-N 0 0 382.819 3.465 10 30 GGEERN N#Cc1cc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)ccc1F ZINC000435447063 567370064 /nfs/dbraw/zinc/37/00/64/567370064.db2.gz NKSSJNWGUJEBCG-GOEBONIOSA-N 0 0 395.253 3.294 10 30 GGEERN N#Cc1ccc(C(=O)N2CCC[C@H]2c2ccc(I)cc2)[nH]1 ZINC000501170656 567371110 /nfs/dbraw/zinc/37/11/10/567371110.db2.gz CBDWJCZKQZESPS-HNNXBMFYSA-N 0 0 391.212 3.468 10 30 GGEERN NC(=O)CSCC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000592949432 567374530 /nfs/dbraw/zinc/37/45/30/567374530.db2.gz PNTWVXCPOWGHKQ-UHFFFAOYSA-N 0 0 392.296 3.133 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC000618359969 567377491 /nfs/dbraw/zinc/37/74/91/567377491.db2.gz ITLGFPGHLBEOKM-HOTGVXAUSA-N 0 0 397.338 3.324 10 30 GGEERN C=CCCn1cc(C(=O)N[C@H]2CSCc3ccc(Br)cc32)nn1 ZINC000618360314 567377794 /nfs/dbraw/zinc/37/77/94/567377794.db2.gz OMNULZWNTVDGCG-HNNXBMFYSA-N 0 0 393.310 3.335 10 30 GGEERN C[C@@](CO)(NC(=O)Nc1ccc(F)cc1C#N)c1ccc(Br)cc1 ZINC000477186422 567378678 /nfs/dbraw/zinc/37/86/78/567378678.db2.gz LFBNZTFHAKCPQA-KRWDZBQOSA-N 0 0 392.228 3.489 10 30 GGEERN COCCN(Cc1ccco1)C(=O)Cc1ccc(Br)cc1C#N ZINC000593027721 567379029 /nfs/dbraw/zinc/37/90/29/567379029.db2.gz ZTQNSWPKGZYHBE-UHFFFAOYSA-N 0 0 377.238 3.131 10 30 GGEERN CCOC(=O)c1ccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)nc1 ZINC000549223327 567379754 /nfs/dbraw/zinc/37/97/54/567379754.db2.gz LYRSYNPRSJOKHG-OAHLLOKOSA-N 0 0 388.221 3.015 10 30 GGEERN Cc1cc(NC(=O)[C@@H]2CCOc3ccc(Br)cc32)n(CCC#N)n1 ZINC000593040634 567380689 /nfs/dbraw/zinc/38/06/89/567380689.db2.gz XDSUTRFQVZKZDG-CYBMUJFWSA-N 0 0 389.253 3.373 10 30 GGEERN N#Cc1ccc(S(=O)(=O)CCNC2(c3ccccc3Cl)CCC2)nc1 ZINC000593040416 567381301 /nfs/dbraw/zinc/38/13/01/567381301.db2.gz RWOZNRCHNBUAGC-UHFFFAOYSA-N 0 0 375.881 3.049 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCCC[C@@H]1c1ncon1 ZINC000593066947 567382504 /nfs/dbraw/zinc/38/25/04/567382504.db2.gz JJMUXCBVJMKRKD-CQSZACIVSA-N 0 0 375.226 3.000 10 30 GGEERN N#Cc1ccc(OC2CCN(C(=O)c3nscc3Br)CC2)cc1 ZINC000593052024 567382572 /nfs/dbraw/zinc/38/25/72/567382572.db2.gz VDZXKFHCHSYVNS-UHFFFAOYSA-N 0 0 392.278 3.461 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)Nc1ccc(N2CCCC2)cn1 ZINC000593059686 567382785 /nfs/dbraw/zinc/38/27/85/567382785.db2.gz UZYGAHOFLXMBBG-UHFFFAOYSA-N 0 0 385.265 3.497 10 30 GGEERN Cc1nc([C@@H]2CCCCN2C(=O)Cc2ccc(Br)cc2C#N)no1 ZINC000593071123 567384489 /nfs/dbraw/zinc/38/44/89/567384489.db2.gz YUBSUDNEJBOOCE-HNNXBMFYSA-N 0 0 389.253 3.309 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NCc1ccn(C2CCCC2)n1 ZINC000593099779 567385111 /nfs/dbraw/zinc/38/51/11/567385111.db2.gz DHDUHKKXFGIFML-UHFFFAOYSA-N 0 0 387.281 3.491 10 30 GGEERN Cc1nc(CCNC(=O)Cc2ccc(Br)cc2C#N)sc1C ZINC000593093984 567385698 /nfs/dbraw/zinc/38/56/98/567385698.db2.gz HOJHEOYIYUWYOJ-UHFFFAOYSA-N 0 0 378.295 3.296 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CC[C@@H](C2CCOCC2)C1 ZINC000593105529 567386832 /nfs/dbraw/zinc/38/68/32/567386832.db2.gz BFPOJLMEHQHFRX-OAHLLOKOSA-N 0 0 377.282 3.138 10 30 GGEERN Cc1noc(C)c1[C@H](C)CNC(=O)Cc1ccc(Br)cc1C#N ZINC000593105302 567386872 /nfs/dbraw/zinc/38/68/72/567386872.db2.gz OZONFSXZRWYAPB-SNVBAGLBSA-N 0 0 376.254 3.388 10 30 GGEERN Cc1noc(C)c1[C@@H](C)CNC(=O)Cc1ccc(Br)cc1C#N ZINC000593105301 567387056 /nfs/dbraw/zinc/38/70/56/567387056.db2.gz OZONFSXZRWYAPB-JTQLQIEISA-N 0 0 376.254 3.388 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000593104895 567387147 /nfs/dbraw/zinc/38/71/47/567387147.db2.gz LNSAYNABOJYVTR-LSDHHAIUSA-N 0 0 377.282 3.138 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000593104894 567387267 /nfs/dbraw/zinc/38/72/67/567387267.db2.gz LNSAYNABOJYVTR-HUUCEWRRSA-N 0 0 377.282 3.138 10 30 GGEERN CC[C@H](C)n1[nH]c(=NC(=O)Cc2ccc(Br)cc2C#N)cc1C ZINC000593118519 567387375 /nfs/dbraw/zinc/38/73/75/567387375.db2.gz XLDHCMJOVBHNQP-NSHDSACASA-N 0 0 375.270 3.400 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000593103579 567387395 /nfs/dbraw/zinc/38/73/95/567387395.db2.gz SHWNUNPNAXGFDI-JQHSSLGASA-N 0 0 389.293 3.327 10 30 GGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1cc(F)c(Br)cc1F ZINC000527989320 567387639 /nfs/dbraw/zinc/38/76/39/567387639.db2.gz XTTIKFBTINFZOJ-KGLIPLIRSA-N 0 0 375.213 3.260 10 30 GGEERN COCC[C@@H](NC(=O)Cc1ccc(Br)cc1C#N)c1ccco1 ZINC000593125665 567387805 /nfs/dbraw/zinc/38/78/05/567387805.db2.gz ZBNAJDMNZWHUSS-OAHLLOKOSA-N 0 0 377.238 3.350 10 30 GGEERN CCOC(=O)C[C@](C)(NC(=O)Cc1ccc(Br)cc1C#N)C(C)C ZINC000593133715 567388061 /nfs/dbraw/zinc/38/80/61/567388061.db2.gz BOKUGJOGPUWYFP-SFHVURJKSA-N 0 0 395.297 3.347 10 30 GGEERN C[C@@]1(CNC(=O)Cc2ccc(Br)cc2C#N)CCO[C@@H]1C1CC1 ZINC000593133238 567388343 /nfs/dbraw/zinc/38/83/43/567388343.db2.gz SMYBJVWILLENKR-MSOLQXFVSA-N 0 0 377.282 3.185 10 30 GGEERN COC(=O)C1(CNC(=O)Cc2ccc(Br)cc2C#N)CCCCC1 ZINC000593122091 567388347 /nfs/dbraw/zinc/38/83/47/567388347.db2.gz HFFGCLGSYSPLEH-UHFFFAOYSA-N 0 0 393.281 3.103 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000569216157 567388533 /nfs/dbraw/zinc/38/85/33/567388533.db2.gz XKVKZXRJSSZLFV-NHYWBVRUSA-N 0 0 381.263 3.314 10 30 GGEERN N#Cc1cccc2c1CN([C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000593125228 567388679 /nfs/dbraw/zinc/38/86/79/567388679.db2.gz BXYDDBQQVXQMHD-GOSISDBHSA-N 0 0 382.261 3.442 10 30 GGEERN CCOC(=O)CN(C(=O)Cc1ccc(Br)cc1C#N)C(C)(C)C ZINC000593134603 567388807 /nfs/dbraw/zinc/38/88/07/567388807.db2.gz ALOLKWDFLHEUTL-UHFFFAOYSA-N 0 0 381.270 3.053 10 30 GGEERN CC(C)[C@H](CNC(=O)Cc1ccc(Br)cc1C#N)c1ccnn1C ZINC000593140712 567389350 /nfs/dbraw/zinc/38/93/50/567389350.db2.gz TYXPEBHYTOOVOJ-INIZCTEOSA-N 0 0 389.297 3.153 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cc(F)c(Br)cc1F ZINC000528027598 567389948 /nfs/dbraw/zinc/38/99/48/567389948.db2.gz SXYRWZBMMYAHHJ-XPTSAGLGSA-N 0 0 375.213 3.118 10 30 GGEERN CC1(C)CN(C(=O)Cc2ccc(Br)cc2C#N)[C@@H]1[C@@H]1CCCO1 ZINC000593158475 567390862 /nfs/dbraw/zinc/39/08/62/567390862.db2.gz XXTLOWIEHJXJEM-DOTOQJQBSA-N 0 0 377.282 3.279 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCOC[C@H](C2CCC2)C1 ZINC000593162582 567391046 /nfs/dbraw/zinc/39/10/46/567391046.db2.gz KXYABNKKUHKMNF-MRXNPFEDSA-N 0 0 377.282 3.138 10 30 GGEERN CCOC1CC2(C1)CCN(C(=O)Cc1ccc(Br)cc1C#N)C2 ZINC000593156854 567391811 /nfs/dbraw/zinc/39/18/11/567391811.db2.gz GSRGVBJWBOWZNQ-UHFFFAOYSA-N 0 0 377.282 3.281 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1NC[C@@H](CO)c1cccnc1 ZINC000569284306 567392409 /nfs/dbraw/zinc/39/24/09/567392409.db2.gz CMUQNHMCHFCBTK-AWEZNQCLSA-N 0 0 383.249 3.452 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NC[C@H]1CCOC2(CCC2)C1 ZINC000593168085 567392487 /nfs/dbraw/zinc/39/24/87/567392487.db2.gz SUAUDFVQVJDLOK-ZDUSSCGKSA-N 0 0 377.282 3.329 10 30 GGEERN CO[C@@H](CNC(=O)Cc1ccc(Br)cc1C#N)Cc1ccccc1 ZINC000593166913 567392561 /nfs/dbraw/zinc/39/25/61/567392561.db2.gz RVOZPYXGYSXNQY-GOSISDBHSA-N 0 0 387.277 3.237 10 30 GGEERN CO[C@@H]1C[C@H](N(C)C(=O)Cc2ccc(Br)cc2C#N)C12CCC2 ZINC000593169282 567392679 /nfs/dbraw/zinc/39/26/79/567392679.db2.gz QQGJSNMOKHPONY-JKSUJKDBSA-N 0 0 377.282 3.279 10 30 GGEERN CN(C)Cc1csc(NC(=O)Cc2ccc(Br)cc2C#N)n1 ZINC000593171670 567392793 /nfs/dbraw/zinc/39/27/93/567392793.db2.gz PWSAWVQXSMTUJB-UHFFFAOYSA-N 0 0 379.283 3.020 10 30 GGEERN C=CCOCCCNC(=O)N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000661791169 567392896 /nfs/dbraw/zinc/39/28/96/567392896.db2.gz CXKIIGORDIZFGN-CQSZACIVSA-N 0 0 380.794 3.284 10 30 GGEERN N#Cc1ccc(NC(=O)CN[C@@H]2CCOc3c(Br)cccc32)cc1 ZINC000501494159 567392950 /nfs/dbraw/zinc/39/29/50/567392950.db2.gz FTTSNXIFFDVRBJ-MRXNPFEDSA-N 0 0 386.249 3.373 10 30 GGEERN C=CC[C@@H](C)NS(=O)(=O)c1cc(Br)ccc1OCCOCC ZINC000501526466 567394687 /nfs/dbraw/zinc/39/46/87/567394687.db2.gz YSCPCSQBZDPJLV-GFCCVEGCSA-N 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/nfs/dbraw/zinc/39/64/37/567396437.db2.gz SPVHVDJNJJNZMS-SUMWQHHRSA-N 0 0 385.291 3.222 10 30 GGEERN C=C(C)CS(=O)(=O)N[C@H]1CC(=O)N(C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000477469656 567396768 /nfs/dbraw/zinc/39/67/68/567396768.db2.gz PJBAPOULIWZTOM-DOTOQJQBSA-N 0 0 388.892 3.025 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)Cc2nccn2CC(F)(F)F)c(Cl)c1 ZINC000593203026 567396776 /nfs/dbraw/zinc/39/67/76/567396776.db2.gz FFUITPQBNSWBAK-UHFFFAOYSA-N 0 0 377.775 3.085 10 30 GGEERN CNC(=O)c1cccc(NC(=O)NCC2(C#N)CCCC2)c1Br ZINC000593210752 567397836 /nfs/dbraw/zinc/39/78/36/567397836.db2.gz MOHLZQVLSDWMRJ-UHFFFAOYSA-N 0 0 379.258 3.014 10 30 GGEERN Cc1cc(N2C[C@H](C(=O)Nc3cc(C#N)ccn3)CC2=O)ccc1Br ZINC000436004925 567401122 /nfs/dbraw/zinc/40/11/22/567401122.db2.gz FLWXJQVIRXYTIW-CYBMUJFWSA-N 0 0 399.248 3.016 10 30 GGEERN N#Cc1c(Br)cccc1OCC(=O)N[C@@H](C1CC1)C1CCOCC1 ZINC000593280507 567403696 /nfs/dbraw/zinc/40/36/96/567403696.db2.gz YDEWGFFKMVNNIC-SFHVURJKSA-N 0 0 393.281 3.021 10 30 GGEERN C[S@@](=O)c1ccc(CC(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc1 ZINC000436081555 567404760 /nfs/dbraw/zinc/40/47/60/567404760.db2.gz YKHCUNGVPLSZCV-QMHKHESXSA-N 0 0 391.290 3.110 10 30 GGEERN N#Cc1cc(Cl)ccc1Cn1cc(Br)c2ncncc2c1=O ZINC000618644878 567404910 /nfs/dbraw/zinc/40/49/10/567404910.db2.gz LSIZMQFZYKYVCO-UHFFFAOYSA-N 0 0 375.613 3.127 10 30 GGEERN N#Cc1ccsc1C(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000456706952 567405373 /nfs/dbraw/zinc/40/53/73/567405373.db2.gz CQXZIMWRJBVXLO-LLVKDONJSA-N 0 0 397.269 3.102 10 30 GGEERN COc1cc(Br)c(CNC(=O)NCC2(C#N)CCCC2)cc1OC ZINC000593341621 567407194 /nfs/dbraw/zinc/40/71/94/567407194.db2.gz ZEQVVNHKAUSBIL-UHFFFAOYSA-N 0 0 396.285 3.349 10 30 GGEERN O=C(c1c(F)cc(C(F)(F)F)cc1F)N1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000456712434 567407768 /nfs/dbraw/zinc/40/77/68/567407768.db2.gz VRXRYORNCVCTMG-KGFZYKRKSA-N 0 0 377.231 3.369 10 30 GGEERN N#Cc1c(F)cc(CNC(=O)[C@H]2COc3ccc(Br)cc32)cc1F ZINC000549727851 567407951 /nfs/dbraw/zinc/40/79/51/567407951.db2.gz 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/nfs/dbraw/zinc/41/02/96/567410296.db2.gz ATSDXFFAQKOYDP-UHFFFAOYSA-N 0 0 385.265 3.497 10 30 GGEERN CC(C)(COc1ncccc1Br)NC(=O)NCC1(C#N)CCCC1 ZINC000593428619 567411525 /nfs/dbraw/zinc/41/15/25/567411525.db2.gz IHXCDGKBDMIVTE-UHFFFAOYSA-N 0 0 395.301 3.385 10 30 GGEERN N#CC1(CNC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CCCC1 ZINC000593402106 567412424 /nfs/dbraw/zinc/41/24/24/567412424.db2.gz HLNKTYNKCPTWEB-CYBMUJFWSA-N 0 0 382.233 3.405 10 30 GGEERN N#CC1(CNC(=O)N2CCOc3ccc(Br)cc3C2)CCCC1 ZINC000593432729 567414248 /nfs/dbraw/zinc/41/42/48/567414248.db2.gz UZMUJHSHZGZULS-UHFFFAOYSA-N 0 0 378.270 3.437 10 30 GGEERN C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1ccc(Br)cn1 ZINC000477769746 567414899 /nfs/dbraw/zinc/41/48/99/567414899.db2.gz WGQNPIIUSCGUBW-DIFFPNOSSA-N 0 0 396.285 3.283 10 30 GGEERN C=CCC[C@@H](CO)NC(=O)CSCc1ccc(Br)cc1F ZINC000456754024 567415764 /nfs/dbraw/zinc/41/57/64/567415764.db2.gz BHDRRWUCYGKFOE-ZDUSSCGKSA-N 0 0 376.291 3.265 10 30 GGEERN CO[C@H](C(=O)N[C@@H](C#N)c1ccccc1Br)c1ccc(O)cc1 ZINC000618833675 567416962 /nfs/dbraw/zinc/41/69/62/567416962.db2.gz JRRJRHKSOFHYTH-HOTGVXAUSA-N 0 0 375.222 3.223 10 30 GGEERN CC(C)(C#N)CCS(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000569608716 567417152 /nfs/dbraw/zinc/41/71/52/567417152.db2.gz GKWDKMPAWAYIIU-UHFFFAOYSA-N 0 0 376.232 3.039 10 30 GGEERN C[C@@H](O)CN(Cc1ccccc1)C(=O)Cc1ccc(Br)cc1C#N ZINC000593481043 567418444 /nfs/dbraw/zinc/41/84/44/567418444.db2.gz BTVPOPGADVDUPX-CQSZACIVSA-N 0 0 387.277 3.273 10 30 GGEERN N#Cc1cc(Cl)c(C(=O)N2CCC(Oc3cnccn3)CC2)c(Cl)c1 ZINC000618871732 567418855 /nfs/dbraw/zinc/41/88/55/567418855.db2.gz DAAXSYDJGVLTFA-UHFFFAOYSA-N 0 0 377.231 3.339 10 30 GGEERN N#Cc1cnc(N2CCN(c3cc(Cl)ccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000593487434 567419065 /nfs/dbraw/zinc/41/90/65/567419065.db2.gz YOECYSMJVHWAAA-UHFFFAOYSA-N 0 0 378.219 3.495 10 30 GGEERN CN(C)[C@@H](CNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)c1ccsc1 ZINC000593528743 567420583 /nfs/dbraw/zinc/42/05/83/567420583.db2.gz FYJOFUKHHXRQDX-KRWDZBQOSA-N 0 0 377.535 3.130 10 30 GGEERN N#Cc1sccc1S(=O)(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000593527453 567420747 /nfs/dbraw/zinc/42/07/47/567420747.db2.gz WASWEEKROZLYST-UHFFFAOYSA-N 0 0 395.937 3.216 10 30 GGEERN CN(C)[C@H](CNS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)c1ccsc1 ZINC000593528744 567420857 /nfs/dbraw/zinc/42/08/57/567420857.db2.gz FYJOFUKHHXRQDX-QGZVFWFLSA-N 0 0 377.535 3.130 10 30 GGEERN COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccsc2C#N)cc1OC ZINC000593528065 567421023 /nfs/dbraw/zinc/42/10/23/567421023.db2.gz YRAXBGPVPXJXSS-CYBMUJFWSA-N 0 0 378.475 3.163 10 30 GGEERN Cc1ccc([C@H](CNS(=O)(=O)c2ccsc2C#N)N2CCCC2)cc1 ZINC000593539578 567422270 /nfs/dbraw/zinc/42/22/70/567422270.db2.gz XPOGTNWGFQCBFC-INIZCTEOSA-N 0 0 375.519 3.044 10 30 GGEERN COc1cc(CNC(=O)c2cscc2C#N)cc(Br)c1OC ZINC000549963531 567422384 /nfs/dbraw/zinc/42/23/84/567422384.db2.gz GWGRZWYQLXYYDT-UHFFFAOYSA-N 0 0 381.251 3.329 10 30 GGEERN Cc1ccc([C@@H]2OCCC[C@H]2CNS(=O)(=O)c2ccsc2C#N)cc1 ZINC000593552706 567423497 /nfs/dbraw/zinc/42/34/97/567423497.db2.gz HONFTZVXCKPGPD-YJBOKZPZSA-N 0 0 376.503 3.374 10 30 GGEERN COc1cc(CN(C)S(=O)(=O)c2ccsc2C#N)c(SC)cc1OC ZINC000593551330 567423958 /nfs/dbraw/zinc/42/39/58/567423958.db2.gz YPBRYIYBISCTHO-UHFFFAOYSA-N 0 0 398.531 3.180 10 30 GGEERN Cc1ccc([C@@H]2OCCC[C@@H]2CNS(=O)(=O)c2ccsc2C#N)cc1 ZINC000593552705 567424430 /nfs/dbraw/zinc/42/44/30/567424430.db2.gz HONFTZVXCKPGPD-QAPCUYQASA-N 0 0 376.503 3.374 10 30 GGEERN N#Cc1cccc(N2CCN(Cc3ccc(Br)c(F)c3F)CC2)n1 ZINC000528450197 567424938 /nfs/dbraw/zinc/42/49/38/567424938.db2.gz OMKWQGYLCGYOID-UHFFFAOYSA-N 0 0 393.235 3.316 10 30 GGEERN Cc1cc(Br)cc2c1CN(S(=O)(=O)c1ccsc1C#N)CC2 ZINC000593573913 567424999 /nfs/dbraw/zinc/42/49/99/567424999.db2.gz IPZPILBZDAVTGO-UHFFFAOYSA-N 0 0 397.319 3.438 10 30 GGEERN CC(C)(C)c1nnc(CNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)s1 ZINC000593563658 567425217 /nfs/dbraw/zinc/42/52/17/567425217.db2.gz QOVPFILXGPZTSF-UHFFFAOYSA-N 0 0 378.523 3.115 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N1CCC(OCc2ccccc2F)CC1 ZINC000593572687 567425470 /nfs/dbraw/zinc/42/54/70/567425470.db2.gz QOPBBOGNXPOEKY-UHFFFAOYSA-N 0 0 380.466 3.129 10 30 GGEERN C[C@H](c1ccccc1)[C@H](CO)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593576181 567425973 /nfs/dbraw/zinc/42/59/73/567425973.db2.gz RLZHSSXXDXFANO-ACJLOTCBSA-N 0 0 387.277 3.144 10 30 GGEERN CC(C)Oc1cc(CN(C2CC2)S(=O)(=O)c2ccsc2C#N)ccn1 ZINC000593567329 567425996 /nfs/dbraw/zinc/42/59/96/567425996.db2.gz QEPYEVTTWRVYIA-UHFFFAOYSA-N 0 0 377.491 3.155 10 30 GGEERN N#Cc1sccc1S(=O)(=O)NCCc1cccc(OCC(F)(F)F)c1 ZINC000593592934 567426614 /nfs/dbraw/zinc/42/66/14/567426614.db2.gz ZHSANRCYEIZAOE-UHFFFAOYSA-N 0 0 390.408 3.082 10 30 GGEERN CC(C)(C#N)c1ccc(S(=O)(=O)NCc2cc(Br)ccn2)cc1 ZINC000593601092 567426920 /nfs/dbraw/zinc/42/69/20/567426920.db2.gz QCCOGVBMXHPTLL-UHFFFAOYSA-N 0 0 394.294 3.124 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC([C@@H]2CCOC2)CC1 ZINC000593596032 567426995 /nfs/dbraw/zinc/42/69/95/567426995.db2.gz LTGXBPRKMGDUIS-OAHLLOKOSA-N 0 0 377.282 3.138 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCCCC[C@@H]1c1ncon1 ZINC000593596927 567427137 /nfs/dbraw/zinc/42/71/37/567427137.db2.gz FPNMDYJMJGHKIP-OAHLLOKOSA-N 0 0 389.253 3.390 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000593583659 567427322 /nfs/dbraw/zinc/42/73/22/567427322.db2.gz WPKQHRNZMCWCHC-INIZCTEOSA-N 0 0 375.519 3.125 10 30 GGEERN CC(C)(C#N)c1ccc(S(=O)(=O)NCCCSc2ccccn2)cc1 ZINC000593616966 567428061 /nfs/dbraw/zinc/42/80/61/567428061.db2.gz GMCDNNIWQAJOAI-UHFFFAOYSA-N 0 0 375.519 3.343 10 30 GGEERN C[C@]1(Cc2cccc(Cl)c2)CCCN1S(=O)(=O)c1cncc(C#N)c1 ZINC000593621326 567428315 /nfs/dbraw/zinc/42/83/15/567428315.db2.gz JNGOQGYHHCIZNN-GOSISDBHSA-N 0 0 375.881 3.393 10 30 GGEERN C[C@]1(Cc2cccc(Cl)c2)CCCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000593620568 567428622 /nfs/dbraw/zinc/42/86/22/567428622.db2.gz BRGWXYMLKINCRL-GOSISDBHSA-N 0 0 375.881 3.393 10 30 GGEERN N#CC1(CNS(=O)(=O)c2ccc(Br)cc2Cl)CCCC1 ZINC000593620501 567428626 /nfs/dbraw/zinc/42/86/26/567428626.db2.gz IYLGUOBQHVVPGV-UHFFFAOYSA-N 0 0 377.691 3.465 10 30 GGEERN CC(C)(C)OC(=O)CC[C@H]1CCCN(S(=O)(=O)c2ccsc2C#N)C1 ZINC000593606726 567428718 /nfs/dbraw/zinc/42/87/18/567428718.db2.gz ABGNDXBDLHCCRN-CYBMUJFWSA-N 0 0 384.523 3.142 10 30 GGEERN N#Cc1ccncc1N1CCN(Cc2ccc(Br)c(F)c2F)CC1 ZINC000528504471 567430462 /nfs/dbraw/zinc/43/04/62/567430462.db2.gz BCBDAHDYBOOCEZ-UHFFFAOYSA-N 0 0 393.235 3.316 10 30 GGEERN N#CC1(CS(=O)(=O)N2CC3(CC3)c3ccc(Br)cc32)CCC1 ZINC000528497423 567430691 /nfs/dbraw/zinc/43/06/91/567430691.db2.gz LRGUEVAWPWBNJD-UHFFFAOYSA-N 0 0 381.295 3.324 10 30 GGEERN CC(C)C[C@]1(CO)CCCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593645216 567430910 /nfs/dbraw/zinc/43/09/10/567430910.db2.gz FXZIEGMBKAFIFC-SFHVURJKSA-N 0 0 379.298 3.263 10 30 GGEERN CC[C@@H](C)c1nnc([C@@H](C)NC(=O)Cc2ccc(Br)cc2C#N)[nH]1 ZINC000593651008 567431303 /nfs/dbraw/zinc/43/13/03/567431303.db2.gz OTMQECFJIRZONY-GHMZBOCLSA-N 0 0 390.285 3.372 10 30 GGEERN CC[C@H](C)c1nnc([C@H](C)NC(=O)Cc2ccc(Br)cc2C#N)[nH]1 ZINC000593651010 567431577 /nfs/dbraw/zinc/43/15/77/567431577.db2.gz OTMQECFJIRZONY-QWRGUYRKSA-N 0 0 390.285 3.372 10 30 GGEERN CC[C@H](C)c1nnc([C@@H](C)NC(=O)Cc2ccc(Br)cc2C#N)[nH]1 ZINC000593651011 567431865 /nfs/dbraw/zinc/43/18/65/567431865.db2.gz OTMQECFJIRZONY-WDEREUQCSA-N 0 0 390.285 3.372 10 30 GGEERN COc1ccc(Cl)c2c1CCC[C@H]2N(C)S(=O)(=O)N(C)[C@@H](C)CC#N ZINC000593660187 567432622 /nfs/dbraw/zinc/43/26/22/567432622.db2.gz COPBQJZRLDAGEA-SWLSCSKDSA-N 0 0 385.917 3.137 10 30 GGEERN N#CC1(CNC(=O)C(=O)Nc2ccc(Br)c(Cl)c2)CCCC1 ZINC000593671086 567432853 /nfs/dbraw/zinc/43/28/53/567432853.db2.gz DRCTXJUDGJDYFJ-UHFFFAOYSA-N 0 0 384.661 3.241 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NCc1ccc2c(n1)CCCC2 ZINC000593658286 567433022 /nfs/dbraw/zinc/43/30/22/567433022.db2.gz SCYXQLUUGSLQHR-UHFFFAOYSA-N 0 0 384.277 3.453 10 30 GGEERN Cc1c(Br)ccc(NC(=O)C(=O)NCC2(C#N)CCCC2)c1F ZINC000593673545 567434276 /nfs/dbraw/zinc/43/42/76/567434276.db2.gz BXWMEBXSPWSGSY-UHFFFAOYSA-N 0 0 382.233 3.035 10 30 GGEERN Cc1ccc(F)c(NC(=O)C(=O)NCC2(C#N)CCCC2)c1Br ZINC000593674253 567434688 /nfs/dbraw/zinc/43/46/88/567434688.db2.gz XICUGKVZKKOKBB-UHFFFAOYSA-N 0 0 382.233 3.035 10 30 GGEERN N#CC1(CNC(=O)C(=O)Nc2cc(Cl)ccc2Br)CCCC1 ZINC000593671771 567435008 /nfs/dbraw/zinc/43/50/08/567435008.db2.gz OUWGTYZSNBXPCF-UHFFFAOYSA-N 0 0 384.661 3.241 10 30 GGEERN CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC=C(c2ccc(Cl)cc2C)CC1 ZINC000528537359 567435250 /nfs/dbraw/zinc/43/52/50/567435250.db2.gz CBTOSMIDPHKJNB-AWEZNQCLSA-N 0 0 381.929 3.464 10 30 GGEERN C[C@@H](O)C[C@H]1CCCCCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593699220 567436334 /nfs/dbraw/zinc/43/63/34/567436334.db2.gz BXLSTXFBDKZDSH-CXAGYDPISA-N 0 0 379.298 3.405 10 30 GGEERN C[C@H](O)C[C@@H]1CCCCCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593699222 567436450 /nfs/dbraw/zinc/43/64/50/567436450.db2.gz BXLSTXFBDKZDSH-GUYCJALGSA-N 0 0 379.298 3.405 10 30 GGEERN C[C@@H](O)C[C@@H]1CCCCCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593699221 567436535 /nfs/dbraw/zinc/43/65/35/567436535.db2.gz BXLSTXFBDKZDSH-DYVFJYSZSA-N 0 0 379.298 3.405 10 30 GGEERN CC[C@H](C#N)C(=O)N1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000593733048 567437449 /nfs/dbraw/zinc/43/74/49/567437449.db2.gz VSNNDRFGHLNOHO-UONOGXRCSA-N 0 0 382.245 3.232 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000593740339 567437513 /nfs/dbraw/zinc/43/75/13/567437513.db2.gz KWUUYBVSUMEWOA-ZACQAIPSSA-N 0 0 377.282 3.015 10 30 GGEERN Cc1c(NC(=O)C(=O)NC2CC3(CCC3)C2)ccc(Br)c1C#N ZINC000593723574 567437531 /nfs/dbraw/zinc/43/75/31/567437531.db2.gz YPKFLWMJADMZRV-UHFFFAOYSA-N 0 0 376.254 3.017 10 30 GGEERN C=CCC[C@@H](NC(=O)[C@H]1CCOc2ccc(Br)cc21)C(=O)OCC ZINC000593738840 567437574 /nfs/dbraw/zinc/43/75/74/567437574.db2.gz MAZQMSDEQIEXJT-DZGCQCFKSA-N 0 0 396.281 3.329 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC2(CCC(O)CC2)CC1 ZINC000593731189 567437587 /nfs/dbraw/zinc/43/75/87/567437587.db2.gz BCADHPGSSYYGEM-UHFFFAOYSA-N 0 0 391.309 3.407 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC(OC2CCC2)CC1 ZINC000593744012 567437753 /nfs/dbraw/zinc/43/77/53/567437753.db2.gz GYPHCXHDMGNDBP-UHFFFAOYSA-N 0 0 377.282 3.423 10 30 GGEERN C[C@@H](NC(=O)Cc1ccc(Br)cc1C#N)c1noc(C(F)F)n1 ZINC000593739660 567437814 /nfs/dbraw/zinc/43/78/14/567437814.db2.gz GHWBBHUECGGWTO-SSDOTTSWSA-N 0 0 385.168 3.061 10 30 GGEERN CC[C@@H](C#N)C(=O)N1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000593733046 567437824 /nfs/dbraw/zinc/43/78/24/567437824.db2.gz VSNNDRFGHLNOHO-KBPBESRZSA-N 0 0 382.245 3.232 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N[C@@H](CO)CC1CCCCC1 ZINC000593743747 567437852 /nfs/dbraw/zinc/43/78/52/567437852.db2.gz CMAAVCGPBZNMJS-QGZVFWFLSA-N 0 0 379.298 3.311 10 30 GGEERN CC(C)[C@@]1(CO)CCCN(C(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593731945 567437857 /nfs/dbraw/zinc/43/78/57/567437857.db2.gz IEPUEVQQHKZZKV-SFHVURJKSA-N 0 0 379.298 3.120 10 30 GGEERN CC(C)[C@]1(CO)CCCN(C(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593731944 567437909 /nfs/dbraw/zinc/43/79/09/567437909.db2.gz IEPUEVQQHKZZKV-GOSISDBHSA-N 0 0 379.298 3.120 10 30 GGEERN CC(C)[C@@H](CO)[C@H](NC(=O)Cc1ccc(Br)cc1C#N)C(C)C ZINC000593739987 567437974 /nfs/dbraw/zinc/43/79/74/567437974.db2.gz DZRLGNLJXNLNQO-SJLPKXTDSA-N 0 0 381.314 3.269 10 30 GGEERN C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)C[C@@H]1C(C)(C)C1(F)F ZINC000641491098 567439224 /nfs/dbraw/zinc/43/92/24/567439224.db2.gz MQKBLKGEQNPUTH-OAHLLOKOSA-N 0 0 375.485 3.463 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@H]1[C@H]1CCCOC1 ZINC000593753169 567439234 /nfs/dbraw/zinc/43/92/34/567439234.db2.gz QXSJSQCCWUBJRT-YOEHRIQHSA-N 0 0 377.282 3.281 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)NCCCSc2ccc(F)cc2)c(F)c1 ZINC000478157343 567439774 /nfs/dbraw/zinc/43/97/74/567439774.db2.gz ZGOSSSHEFRRZLJ-UHFFFAOYSA-N 0 0 382.457 3.438 10 30 GGEERN N#CC1(CNC(=O)c2ccc([N+](=O)[O-])cc2I)CCCC1 ZINC000593778076 567440258 /nfs/dbraw/zinc/44/02/58/567440258.db2.gz JWELUDBRLMKPND-UHFFFAOYSA-N 0 0 399.188 3.013 10 30 GGEERN N#CC1(CNC(=O)c2cc(F)c(F)cc2I)CCCC1 ZINC000593776264 567440431 /nfs/dbraw/zinc/44/04/31/567440431.db2.gz YKFMFLZZQSJSAI-UHFFFAOYSA-N 0 0 390.171 3.383 10 30 GGEERN N#CC1(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CCCC1 ZINC000593779391 567440437 /nfs/dbraw/zinc/44/04/37/567440437.db2.gz IZTNOCOLIQELFC-CYBMUJFWSA-N 0 0 390.281 3.002 10 30 GGEERN COc1ccc(C(=O)NCC2(C#N)CCCC2)cc1I ZINC000593775200 567440450 /nfs/dbraw/zinc/44/04/50/567440450.db2.gz KMRSPEOKMIGQOL-UHFFFAOYSA-N 0 0 384.217 3.114 10 30 GGEERN N#CC1(CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)CCCC1 ZINC000593784837 567440648 /nfs/dbraw/zinc/44/06/48/567440648.db2.gz DHGUQQQEVPANGD-UHFFFAOYSA-N 0 0 375.881 3.485 10 30 GGEERN N#CC1(CNC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CCCC1 ZINC000593782189 567440720 /nfs/dbraw/zinc/44/07/20/567440720.db2.gz HXDNNNLWDPQNHJ-CYBMUJFWSA-N 0 0 390.281 3.002 10 30 GGEERN CC(=O)N[C@H](CC(=O)NCC1(C#N)CCCC1)c1ccc(Br)cc1 ZINC000593781502 567440810 /nfs/dbraw/zinc/44/08/10/567440810.db2.gz HEYDOAUFXLWONS-MRXNPFEDSA-N 0 0 392.297 3.217 10 30 GGEERN N#CC1(CNC(=O)c2cc(I)cc([N+](=O)[O-])c2)CCCC1 ZINC000593774675 567440868 /nfs/dbraw/zinc/44/08/68/567440868.db2.gz GRHRTUMQCWQBQV-UHFFFAOYSA-N 0 0 399.188 3.013 10 30 GGEERN Cc1c(C(=O)NCC2(C#N)CCCC2)nnn1-c1cccc(Br)c1 ZINC000593782857 567440915 /nfs/dbraw/zinc/44/09/15/567440915.db2.gz UEJMRCNRNDTTCZ-UHFFFAOYSA-N 0 0 388.269 3.152 10 30 GGEERN N#CC1(CNC(=O)c2cc(I)c(F)cc2F)CCCC1 ZINC000593773849 567440956 /nfs/dbraw/zinc/44/09/56/567440956.db2.gz COSDTJWXTSSPER-UHFFFAOYSA-N 0 0 390.171 3.383 10 30 GGEERN N#Cc1cc(Cl)c(C(=O)N2CCn3c(CC4CC4)nnc3C2)c(Cl)c1 ZINC000593784834 567440978 /nfs/dbraw/zinc/44/09/78/567440978.db2.gz CVDXLVSQIPFZDF-UHFFFAOYSA-N 0 0 376.247 3.065 10 30 GGEERN COc1ccc([C@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)C2CC2)cn1 ZINC000528593151 567442021 /nfs/dbraw/zinc/44/20/21/567442021.db2.gz QRSYBZIKXSWBLK-QGZVFWFLSA-N 0 0 377.853 3.045 10 30 GGEERN CN(CC1(c2ccc(Br)cc2)CC1)C(=O)Cc1ccc(C#N)nc1 ZINC000528648254 567444810 /nfs/dbraw/zinc/44/48/10/567444810.db2.gz YNIWULQMNVEQSQ-UHFFFAOYSA-N 0 0 384.277 3.448 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC2(CCCC2=O)CC1 ZINC000619337278 567446804 /nfs/dbraw/zinc/44/68/04/567446804.db2.gz VWMQXKNDEQBLCV-UHFFFAOYSA-N 0 0 375.266 3.225 10 30 GGEERN N#C[C@@H](NC(=O)c1cc(I)ccc1O)c1ccc(F)cc1 ZINC000436736340 567447400 /nfs/dbraw/zinc/44/74/00/567447400.db2.gz GJKJUBYYUJAOQZ-CYBMUJFWSA-N 0 0 396.159 3.131 10 30 GGEERN C=CCCn1cc(C[S@](=O)[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)nn1 ZINC000593937979 567447786 /nfs/dbraw/zinc/44/77/86/567447786.db2.gz FOZMNQVVYDEEMU-CANCMXDXSA-N 0 0 380.901 3.092 10 30 GGEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1cccc(Br)c1 ZINC000502704141 567448393 /nfs/dbraw/zinc/44/83/93/567448393.db2.gz XSBMAXUFMMVUBZ-KRWDZBQOSA-N 0 0 381.270 3.327 10 30 GGEERN NCC(F)(F)CNC(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000662554594 567448399 /nfs/dbraw/zinc/44/83/99/567448399.db2.gz QHVXZCMRUJEHIE-UHFFFAOYSA-N 0 0 382.226 3.300 10 30 GGEERN C=CCCn1cc(C[S@@](=O)[C@H](C)C(=O)Nc2ccc(Cl)cc2C)nn1 ZINC000593943315 567449644 /nfs/dbraw/zinc/44/96/44/567449644.db2.gz XEQNONSFBRPLBF-YMXBGEKHSA-N 0 0 380.901 3.092 10 30 GGEERN C=C[C@@H](C)NC(=O)Cc1cc(Br)cc(I)c1 ZINC000593988344 567450636 /nfs/dbraw/zinc/45/06/36/567450636.db2.gz LGEKVTUXTJOCQN-MRVPVSSYSA-N 0 0 394.050 3.287 10 30 GGEERN N#Cc1cc(C(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)ccn1 ZINC000619430831 567452033 /nfs/dbraw/zinc/45/20/33/567452033.db2.gz YYWSZQHUUHXTJD-UHFFFAOYSA-N 0 0 381.233 3.396 10 30 GGEERN N#Cc1ccc2ncc(CN3CCOc4c(Br)cccc4C3)n2c1 ZINC000619431645 567452187 /nfs/dbraw/zinc/45/21/87/567452187.db2.gz PJWQNENWKCLDAV-UHFFFAOYSA-N 0 0 383.249 3.363 10 30 GGEERN CCOC(=O)[C@H](NC(=O)CCCCC#N)c1ccc(OC)c(Br)c1 ZINC000594000374 567452550 /nfs/dbraw/zinc/45/25/50/567452550.db2.gz BUOGGOHORUOREA-MRXNPFEDSA-N 0 0 397.269 3.262 10 30 GGEERN C[C@@H](NC(=O)NCc1ccc(C#N)cc1F)c1ccc(Br)cn1 ZINC000619426951 567452662 /nfs/dbraw/zinc/45/26/62/567452662.db2.gz CXLZJDRSHIHWRD-SNVBAGLBSA-N 0 0 377.217 3.415 10 30 GGEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccc(Br)s1 ZINC000502811279 567453306 /nfs/dbraw/zinc/45/33/06/567453306.db2.gz BZKOVIQAORZJRL-OAHLLOKOSA-N 0 0 387.299 3.388 10 30 GGEERN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000502818709 567454148 /nfs/dbraw/zinc/45/41/48/567454148.db2.gz SPUBFHGZVGCXBR-UHFFFAOYSA-N 0 0 376.503 3.322 10 30 GGEERN C=CCCOCC(=O)NCc1ccc(I)cc1Cl ZINC000619458495 567454471 /nfs/dbraw/zinc/45/44/71/567454471.db2.gz PVTIBARLGYYZGP-UHFFFAOYSA-N 0 0 379.625 3.154 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000594071317 567457232 /nfs/dbraw/zinc/45/72/32/567457232.db2.gz YVRCEEMTKNZZII-WMZOPIPTSA-N 0 0 377.282 3.327 10 30 GGEERN N#Cc1c(Br)cccc1OCC(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000594068577 567457239 /nfs/dbraw/zinc/45/72/39/567457239.db2.gz JMBDWJIKYPWIDX-WMZOPIPTSA-N 0 0 393.281 3.163 10 30 GGEERN N#Cc1c(Br)cccc1OCC(=O)N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC000594068575 567457353 /nfs/dbraw/zinc/45/73/53/567457353.db2.gz JMBDWJIKYPWIDX-FUHWJXTLSA-N 0 0 393.281 3.163 10 30 GGEERN N#Cc1c(Br)cccc1OCC(=O)N[C@@H](C1CC1)[C@H]1CCCCO1 ZINC000594068574 567457677 /nfs/dbraw/zinc/45/76/77/567457677.db2.gz JMBDWJIKYPWIDX-AEFFLSMTSA-N 0 0 393.281 3.163 10 30 GGEERN N#CC1(CNC(=O)N2CCC[C@H]2c2ccccc2I)CC1 ZINC000570116797 567458991 /nfs/dbraw/zinc/45/89/91/567458991.db2.gz WTLVCFIFAYCMCO-AWEZNQCLSA-N 0 0 395.244 3.441 10 30 GGEERN N#CCc1cccc(S(=O)(=O)NCCc2ccccc2Br)c1 ZINC000619480237 567458972 /nfs/dbraw/zinc/45/89/72/567458972.db2.gz UWEYYSWMXHXGDT-UHFFFAOYSA-N 0 0 379.279 3.036 10 30 GGEERN N#CCc1cccc(S(=O)(=O)N2CCc3cccc(Br)c3C2)c1 ZINC000619484469 567459271 /nfs/dbraw/zinc/45/92/71/567459271.db2.gz AICUEYCPHCXIGE-UHFFFAOYSA-N 0 0 391.290 3.262 10 30 GGEERN N#CC1(CS(=O)(=O)N2CCOc3c(Br)cccc3C2)CCCC1 ZINC000619501873 567460577 /nfs/dbraw/zinc/46/05/77/567460577.db2.gz KXABAUJAPBSZCC-UHFFFAOYSA-N 0 0 399.310 3.057 10 30 GGEERN CC[C@@H](NC(=O)COc1cccc(Br)c1C#N)[C@@H]1CCCCO1 ZINC000594173532 567463139 /nfs/dbraw/zinc/46/31/39/567463139.db2.gz BMXITUVPOHYEGV-ZBFHGGJFSA-N 0 0 381.270 3.163 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CCC2(CCCC2)O1 ZINC000594206727 567466109 /nfs/dbraw/zinc/46/61/09/567466109.db2.gz QMMMOBGMOWAJHJ-INIZCTEOSA-N 0 0 377.282 3.471 10 30 GGEERN N#Cc1ccc(OCC(=O)NC[C@H]2CCC3(CCCC3)O2)cc1Br ZINC000594206403 567466742 /nfs/dbraw/zinc/46/67/42/567466742.db2.gz NBXYYAZUDCLUGF-OAHLLOKOSA-N 0 0 393.281 3.308 10 30 GGEERN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000594334413 567470192 /nfs/dbraw/zinc/47/01/92/567470192.db2.gz FYVOKJMVFLTXSD-UGSOOPFHSA-N 0 0 387.277 3.349 10 30 GGEERN Cc1cc(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)ncc1C#N ZINC000457511210 567470557 /nfs/dbraw/zinc/47/05/57/567470557.db2.gz RZAFDVDXNCADKY-KRWDZBQOSA-N 0 0 386.249 3.238 10 30 GGEERN N#Cc1cc(CN2CCN(Cc3cc(Br)ccc3F)CC2)ccn1 ZINC000619623802 567470998 /nfs/dbraw/zinc/47/09/98/567470998.db2.gz JBRCUZJEBWQWLN-UHFFFAOYSA-N 0 0 389.272 3.173 10 30 GGEERN C[C@H](CN1CCOCC1)Nc1c(C#N)cnc2c(Br)cccc21 ZINC000619651105 567471069 /nfs/dbraw/zinc/47/10/69/567471069.db2.gz XUWFGTYDGBJWHY-GFCCVEGCSA-N 0 0 375.270 3.002 10 30 GGEERN N#CCCCCC(=O)N(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000594357371 567471268 /nfs/dbraw/zinc/47/12/68/567471268.db2.gz MAYHIDYFFXCWID-UHFFFAOYSA-N 0 0 379.258 3.351 10 30 GGEERN C[C@@H]1CN(c2c(C#N)cnc3c(Br)cccc32)C[C@H](C)[S@@]1=O ZINC000619651609 567471276 /nfs/dbraw/zinc/47/12/76/567471276.db2.gz YAEXUSCXZGKJFE-JVHXITMCSA-N 0 0 378.295 3.215 10 30 GGEERN C[C@@H](NC(=O)CCCCC#N)c1ccc(Br)cc1OCCCO ZINC000594362089 567471429 /nfs/dbraw/zinc/47/14/29/567471429.db2.gz PHRJGBQGHFYSEP-CYBMUJFWSA-N 0 0 383.286 3.471 10 30 GGEERN CC(C)(CNc1c(C#N)cnc2c(Br)cccc21)S(C)(=O)=O ZINC000619651477 567471589 /nfs/dbraw/zinc/47/15/89/567471589.db2.gz PEXHXNPJPJTYPT-UHFFFAOYSA-N 0 0 382.283 3.104 10 30 GGEERN N#CC1CCC(CNC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000619674611 567473181 /nfs/dbraw/zinc/47/31/81/567473181.db2.gz CADJKAJDHFCVFL-UHFFFAOYSA-N 0 0 380.897 3.092 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@H](OC2CCC2)C1 ZINC000594389336 567473340 /nfs/dbraw/zinc/47/33/40/567473340.db2.gz QGLHYDBSINAAQK-KRWDZBQOSA-N 0 0 377.282 3.423 10 30 GGEERN N#CC1(CS(=O)(=O)N2CCOc3c(Br)cccc32)CCCC1 ZINC000619683141 567474409 /nfs/dbraw/zinc/47/44/09/567474409.db2.gz JZOGHRJUOYVMJT-UHFFFAOYSA-N 0 0 385.283 3.062 10 30 GGEERN CC(=O)NCCN(Cc1ccnc(C#N)c1)Cc1ccc(Cl)cc1Cl ZINC000619723327 567475638 /nfs/dbraw/zinc/47/56/38/567475638.db2.gz NZKBVGBRSYHEPZ-UHFFFAOYSA-N 0 0 377.275 3.398 10 30 GGEERN Cc1cc(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)ncc1C#N ZINC000457579398 567476850 /nfs/dbraw/zinc/47/68/50/567476850.db2.gz ZICQEGHTELKDGF-AWEZNQCLSA-N 0 0 385.265 3.033 10 30 GGEERN CS(=O)(=O)c1csc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c1 ZINC000503318533 567479995 /nfs/dbraw/zinc/47/99/95/567479995.db2.gz YYEHKYIBTNZYIG-GFCCVEGCSA-N 0 0 388.392 3.165 10 30 GGEERN COC[C@H](CC(C)(C)C)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000594480039 567480052 /nfs/dbraw/zinc/48/00/52/567480052.db2.gz YYEQIUNDUJOYLK-LBPRGKRZSA-N 0 0 378.416 3.307 10 30 GGEERN CC(C)(CC#N)CS(=O)(=O)NC1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000594481883 567480383 /nfs/dbraw/zinc/48/03/83/567480383.db2.gz ZWQAEZONCIMRJU-UHFFFAOYSA-N 0 0 376.400 3.434 10 30 GGEERN COC[C@@H](CC(C)(C)C)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000594480038 567480621 /nfs/dbraw/zinc/48/06/21/567480621.db2.gz YYEQIUNDUJOYLK-GFCCVEGCSA-N 0 0 378.416 3.307 10 30 GGEERN CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@](C)(C#N)C1 ZINC000619810082 567481263 /nfs/dbraw/zinc/48/12/63/567481263.db2.gz SNOOSDDAQOECIJ-INIZCTEOSA-N 0 0 377.290 3.196 10 30 GGEERN Cc1nc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)ccc1Br ZINC000503385461 567482804 /nfs/dbraw/zinc/48/28/04/567482804.db2.gz DMMHUIAIKVLNCY-INIZCTEOSA-N 0 0 382.258 3.353 10 30 GGEERN Cc1nc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)ccc1Br ZINC000503385463 567483299 /nfs/dbraw/zinc/48/32/99/567483299.db2.gz DMMHUIAIKVLNCY-MRXNPFEDSA-N 0 0 382.258 3.353 10 30 GGEERN CN(Cc1cc(Br)cn1C)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000503424172 567484045 /nfs/dbraw/zinc/48/40/45/567484045.db2.gz BJOBHWOUNDMNKS-KRWDZBQOSA-N 0 0 398.301 3.008 10 30 GGEERN Cc1cc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)ncc1Br ZINC000503422664 567484141 /nfs/dbraw/zinc/48/41/41/567484141.db2.gz QUHPPJAQYKWIOK-MRXNPFEDSA-N 0 0 382.258 3.353 10 30 GGEERN N#Cc1c(F)cc(CNC(=O)COc2ccccc2Br)cc1F ZINC000619870803 567484959 /nfs/dbraw/zinc/48/49/59/567484959.db2.gz NEACYASMDADJTE-UHFFFAOYSA-N 0 0 381.176 3.294 10 30 GGEERN Cc1cc(Br)ccc1CN(C)C(=O)C(=O)Nc1sccc1C#N ZINC000551185710 567485140 /nfs/dbraw/zinc/48/51/40/567485140.db2.gz HEFQVLKHZSKRGS-UHFFFAOYSA-N 0 0 392.278 3.288 10 30 GGEERN C=C(C)Cn1c(COC)nnc1N1CCc2cccc(Br)c2C1 ZINC000642707188 567485499 /nfs/dbraw/zinc/48/54/99/567485499.db2.gz ZVIPFWXFSJJVKA-UHFFFAOYSA-N 0 0 377.286 3.326 10 30 GGEERN C=CCCn1cc(CNc2cc(C(=O)OC)c(Br)cc2C)nn1 ZINC000594548530 567485613 /nfs/dbraw/zinc/48/56/13/567485613.db2.gz HTWFYOOKIQNYOP-UHFFFAOYSA-N 0 0 379.258 3.324 10 30 GGEERN Cc1cc(C(=O)N(C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)ncc1C#N ZINC000457734116 567487032 /nfs/dbraw/zinc/48/70/32/567487032.db2.gz MWJUCGQBEWWTSE-IAGOWNOFSA-N 0 0 376.243 3.299 10 30 GGEERN N#CCCN(Cc1cccnc1)C(=O)c1cc(Br)cc2nc[nH]c21 ZINC000503485377 567488547 /nfs/dbraw/zinc/48/85/47/567488547.db2.gz GUMVHSXLRBJIAR-UHFFFAOYSA-N 0 0 384.237 3.276 10 30 GGEERN C=C(C)[C@H](NC(=O)c1sc(S(N)(=O)=O)cc1C)c1ccc(F)c(F)c1 ZINC000478925742 567490505 /nfs/dbraw/zinc/49/05/05/567490505.db2.gz UDVHLYJVLUKWAR-AWEZNQCLSA-N 0 0 386.445 3.029 10 30 GGEERN C=C(C)[C@@H](NC(=O)c1sc(S(N)(=O)=O)cc1C)c1ccc(F)c(F)c1 ZINC000478925743 567490582 /nfs/dbraw/zinc/49/05/82/567490582.db2.gz UDVHLYJVLUKWAR-CQSZACIVSA-N 0 0 386.445 3.029 10 30 GGEERN C[C@H](C(=O)NC1(c2ccc(Br)cc2)CCCC1)n1cnc(C#N)n1 ZINC000503582039 567495651 /nfs/dbraw/zinc/49/56/51/567495651.db2.gz UYNZKVFTHMDVQO-GFCCVEGCSA-N 0 0 388.269 3.059 10 30 GGEERN N#C[C@@H]1CN(C(=O)Nc2csc(-c3ccc(Br)cc3)n2)CCO1 ZINC000529176267 567496631 /nfs/dbraw/zinc/49/66/31/567496631.db2.gz NZYPCQWZRLFJHZ-GFCCVEGCSA-N 0 0 393.266 3.329 10 30 GGEERN C[C@]1(Br)C[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000529182614 567496888 /nfs/dbraw/zinc/49/68/88/567496888.db2.gz STFJEWWAHPBBAA-WBMJQRKESA-N 0 0 382.689 3.034 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)C1 ZINC000457844618 567497526 /nfs/dbraw/zinc/49/75/26/567497526.db2.gz ZVFRKPZRMUIUIY-FZMZJTMJSA-N 0 0 378.263 3.445 10 30 GGEERN C[C@]1(Br)C[C@H]1C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000529220659 567498756 /nfs/dbraw/zinc/49/87/56/567498756.db2.gz AVSQHOAJQWPQRM-UXLLHSPISA-N 0 0 396.716 3.222 10 30 GGEERN N#Cc1ccc(NC(=O)CNc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000551360442 567500401 /nfs/dbraw/zinc/50/04/01/567500401.db2.gz SECURQQKUZFOOM-UHFFFAOYSA-N 0 0 375.182 3.280 10 30 GGEERN CC(C)(C)NS(=O)(=O)c1cc(NC(=O)c2cscc2C#N)ccc1F ZINC000551404280 567503183 /nfs/dbraw/zinc/50/31/83/567503183.db2.gz NVLPJKGIDGRPRU-UHFFFAOYSA-N 0 0 381.454 3.088 10 30 GGEERN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H]1Oc2ccccc2[C@H]1C ZINC000503722564 567503255 /nfs/dbraw/zinc/50/32/55/567503255.db2.gz DXILIIOQBBMPCM-FTLABTOESA-N 0 0 376.865 3.443 10 30 GGEERN C[C@H](C#N)N(C1CC1)S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000594727587 567504362 /nfs/dbraw/zinc/50/43/62/567504362.db2.gz OVQNHJFWYAKOBM-SNVBAGLBSA-N 0 0 380.267 3.062 10 30 GGEERN CN([C@](C)(C#N)C1CC1)S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000594729540 567505067 /nfs/dbraw/zinc/50/50/67/567505067.db2.gz XUONBWHXEHQTPY-CYBMUJFWSA-N 0 0 377.691 3.415 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NCCOCc2ccc(Cl)cc2)c(Cl)c1 ZINC000503758821 567505158 /nfs/dbraw/zinc/50/51/58/567505158.db2.gz BKLQJRPHSMMIGS-UHFFFAOYSA-N 0 0 385.272 3.360 10 30 GGEERN C=C(C)COCCNC(=O)NCc1nc2cc(Br)ccc2n1CC ZINC000479143361 567507248 /nfs/dbraw/zinc/50/72/48/567507248.db2.gz LXLMNBPVAQHHNY-UHFFFAOYSA-N 0 0 395.301 3.211 10 30 GGEERN C=CCCCN1C(=O)N[C@H](Cc2c[nH]c3cccc(Br)c23)C1=O ZINC000479138571 567507839 /nfs/dbraw/zinc/50/78/39/567507839.db2.gz YHBMMIDHFYDNEI-CQSZACIVSA-N 0 0 376.254 3.360 10 30 GGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(Br)cc1OC ZINC000437768679 567507967 /nfs/dbraw/zinc/50/79/67/567507967.db2.gz CEHYLNGQPSRYNS-BBRMVZONSA-N 0 0 383.286 3.238 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccc(Br)cc1OC ZINC000437768683 567508149 /nfs/dbraw/zinc/50/81/49/567508149.db2.gz CEHYLNGQPSRYNS-XJKSGUPXSA-N 0 0 383.286 3.238 10 30 GGEERN C[C@H](C#N)CN(C1CC1)S(=O)(=O)Cc1cc(F)ccc1Br ZINC000594765802 567509254 /nfs/dbraw/zinc/50/92/54/567509254.db2.gz QLMSKYAIYOSFHL-SNVBAGLBSA-N 0 0 375.263 3.042 10 30 GGEERN CC1(C#N)CCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000594773521 567510161 /nfs/dbraw/zinc/51/01/61/567510161.db2.gz RZWLJUWQYMHDCE-UHFFFAOYSA-N 0 0 377.691 3.417 10 30 GGEERN C[C@@]1(Br)C[C@@H]1C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000529371029 567510247 /nfs/dbraw/zinc/51/02/47/567510247.db2.gz KLFPZSSYSNHMTF-CXAGYDPISA-N 0 0 381.245 3.241 10 30 GGEERN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCC[C@H]2COCC[C@@H]21 ZINC000594767721 567510447 /nfs/dbraw/zinc/51/04/47/567510447.db2.gz NFGMXSGQYPQLOX-HOCLYGCPSA-N 0 0 376.503 3.271 10 30 GGEERN C[C@@]1(Br)C[C@H]1C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000529371032 567510414 /nfs/dbraw/zinc/51/04/14/567510414.db2.gz KLFPZSSYSNHMTF-SUMWQHHRSA-N 0 0 381.245 3.241 10 30 GGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000620312858 567510918 /nfs/dbraw/zinc/51/09/18/567510918.db2.gz OXVZOAHTNRJXIW-IYBDPMFKSA-N 0 0 398.322 3.074 10 30 GGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000620312907 567511325 /nfs/dbraw/zinc/51/13/25/567511325.db2.gz RAJJDGZZPJGYIT-SDDRHHMPSA-N 0 0 383.311 3.339 10 30 GGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000620317347 567511350 /nfs/dbraw/zinc/51/13/50/567511350.db2.gz MTVKBTUYJVKOKK-IYBDPMFKSA-N 0 0 377.282 3.279 10 30 GGEERN N#CC[C@@H]1CC[C@H](NS(=O)(=O)c2cc(Cl)cc(Br)c2)C1 ZINC000594779793 567511519 /nfs/dbraw/zinc/51/15/19/567511519.db2.gz VADWKMQYFJSJKL-CABZTGNLSA-N 0 0 377.691 3.463 10 30 GGEERN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCC1(CF)CCOCC1 ZINC000594779435 567512209 /nfs/dbraw/zinc/51/22/09/567512209.db2.gz OBNXGCJQXAOJNE-UHFFFAOYSA-N 0 0 382.482 3.126 10 30 GGEERN N#Cc1cc(Br)cc(S(=O)(=O)N2CCC(c3ccco3)CC2)c1 ZINC000594798557 567513074 /nfs/dbraw/zinc/51/30/74/567513074.db2.gz DHKZNCOLKPQHCK-UHFFFAOYSA-N 0 0 395.278 3.482 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCC(c3ccco3)CC2)cc1Br ZINC000594799033 567513486 /nfs/dbraw/zinc/51/34/86/567513486.db2.gz HSMBBYFUJACKAB-UHFFFAOYSA-N 0 0 395.278 3.482 10 30 GGEERN N#Cc1ccc2c(c1)CCC[C@H]2NS(=O)(=O)c1ncccc1Br ZINC000594783637 567513849 /nfs/dbraw/zinc/51/38/49/567513849.db2.gz SPSLZUHMEKPXIZ-OAHLLOKOSA-N 0 0 392.278 3.072 10 30 GGEERN N#CC[C@H]1CCCN(S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000594807374 567514562 /nfs/dbraw/zinc/51/45/62/567514562.db2.gz YCYYRGCJIVOLSN-SNVBAGLBSA-N 0 0 377.691 3.417 10 30 GGEERN CC1(C)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(C#N)s2)CO1 ZINC000594806743 567514609 /nfs/dbraw/zinc/51/46/09/567514609.db2.gz IGPNEUOLJIQDSY-OAHLLOKOSA-N 0 0 376.503 3.378 10 30 GGEERN N#CC[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(Br)c2)C1 ZINC000594807199 567514772 /nfs/dbraw/zinc/51/47/72/567514772.db2.gz USHBQSYRPWIHCU-JTQLQIEISA-N 0 0 377.691 3.417 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](CC)Cc1ccc(Br)cc1 ZINC000620337772 567514946 /nfs/dbraw/zinc/51/49/46/567514946.db2.gz FPHYOIMVYIHHAJ-DLBZAZTESA-N 0 0 381.314 3.357 10 30 GGEERN C=CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(Br)o1 ZINC000643682036 567516337 /nfs/dbraw/zinc/51/63/37/567516337.db2.gz IMWCEPOLOIPCQS-LBPRGKRZSA-N 0 0 381.274 3.350 10 30 GGEERN C[C@@]1(Cc2ccccc2Cl)CCCN1S(=O)(=O)c1cccnc1C#N ZINC000594811347 567516401 /nfs/dbraw/zinc/51/64/01/567516401.db2.gz ZSQHRZDUVNUTHS-SFHVURJKSA-N 0 0 375.881 3.393 10 30 GGEERN C[C@@]1(Cc2ccccc2Cl)CCCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000594811182 567516729 /nfs/dbraw/zinc/51/67/29/567516729.db2.gz YHMWBCVUTAVRLC-SFHVURJKSA-N 0 0 375.881 3.393 10 30 GGEERN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCC[C@](O)(C2CC2)C1 ZINC000594843499 567519099 /nfs/dbraw/zinc/51/90/99/567519099.db2.gz OUIMBVMCVFAGMI-GOSISDBHSA-N 0 0 376.503 3.007 10 30 GGEERN C[C@]1(CCNS(=O)(=O)c2cc(Br)ccc2C#N)CC1(F)F ZINC000594856876 567520951 /nfs/dbraw/zinc/52/09/51/567520951.db2.gz JVBZUQXZYNYECP-LBPRGKRZSA-N 0 0 379.226 3.034 10 30 GGEERN N#Cc1ccc(CC(=O)N2CCC[C@@H]2Cc2ccccc2Br)cn1 ZINC000529499560 567520900 /nfs/dbraw/zinc/52/09/00/567520900.db2.gz XRDKOHKSDGWDKA-QGZVFWFLSA-N 0 0 384.277 3.492 10 30 GGEERN N#CCC1(CS(=O)(=O)NCC2(Cc3ccc(Br)cc3)CC2)CC1 ZINC000594849521 567521206 /nfs/dbraw/zinc/52/12/06/567521206.db2.gz CHBVJXLJVIAEAI-UHFFFAOYSA-N 0 0 397.338 3.385 10 30 GGEERN CCc1ccc(S(=O)(=O)NC2(c3cccc(C#N)c3)CCOCC2)s1 ZINC000594860655 567521812 /nfs/dbraw/zinc/52/18/12/567521812.db2.gz ADNCFSSMJMDADL-UHFFFAOYSA-N 0 0 376.503 3.166 10 30 GGEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1cc(Br)cs1 ZINC000504071855 567521989 /nfs/dbraw/zinc/52/19/89/567521989.db2.gz CURYLTYPIWPLHM-OAHLLOKOSA-N 0 0 387.299 3.388 10 30 GGEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1cc(F)cc(Br)c1 ZINC000504079766 567522119 /nfs/dbraw/zinc/52/21/19/567522119.db2.gz ZIBIKTISXSCVCZ-QGZVFWFLSA-N 0 0 399.260 3.466 10 30 GGEERN CCN(CCC#N)S(=O)(=O)NC(CCC(F)(F)F)CCC(F)(F)F ZINC000594868616 567522252 /nfs/dbraw/zinc/52/22/52/567522252.db2.gz NMHZFWCDRAYHAW-UHFFFAOYSA-N 0 0 383.358 3.110 10 30 GGEERN C[C@H](CC#N)N(C)S(=O)(=O)NC(CCC(F)(F)F)CCC(F)(F)F ZINC000594868694 567522289 /nfs/dbraw/zinc/52/22/89/567522289.db2.gz QTKODSGHZZBTMS-SECBINFHSA-N 0 0 383.358 3.108 10 30 GGEERN COc1ccc(S(=O)(=O)NCC2(C#N)CCCCC2)cc1Br ZINC000594869971 567522335 /nfs/dbraw/zinc/52/23/35/567522335.db2.gz WNWZOTJCCIYPRR-UHFFFAOYSA-N 0 0 387.299 3.210 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NC(CCC(F)(F)F)CCC(F)(F)F)cn1 ZINC000594868610 567522405 /nfs/dbraw/zinc/52/24/05/567522405.db2.gz NFWZPFBKJSNQHG-UHFFFAOYSA-N 0 0 389.321 3.285 10 30 GGEERN N#CC1(CNS(=O)(=O)c2cc(F)ccc2Br)CCCCC1 ZINC000594869669 567522887 /nfs/dbraw/zinc/52/28/87/567522887.db2.gz PSYNBUAEAXSDSC-UHFFFAOYSA-N 0 0 375.263 3.341 10 30 GGEERN N#CC1(c2ccc(CN[C@@H](C(N)=O)c3cccc(Br)c3)cc2)CC1 ZINC000594939887 567527375 /nfs/dbraw/zinc/52/73/75/567527375.db2.gz UPTYUGMHCYQTID-QGZVFWFLSA-N 0 0 384.277 3.320 10 30 GGEERN N#CC1(c2ccc(CN[C@H](C(N)=O)c3cccc(Br)c3)cc2)CC1 ZINC000594939886 567527719 /nfs/dbraw/zinc/52/77/19/567527719.db2.gz UPTYUGMHCYQTID-KRWDZBQOSA-N 0 0 384.277 3.320 10 30 GGEERN O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)C1CN(CC(F)(F)F)C1 ZINC000504329532 567529757 /nfs/dbraw/zinc/52/97/57/567529757.db2.gz ORPYDUWCMYNDAU-LLVKDONJSA-N 0 0 376.247 3.179 10 30 GGEERN C=CCN(c1ncc(C(=O)OC)s1)S(=O)(=O)c1cccc(Cl)c1C ZINC000438386495 567529892 /nfs/dbraw/zinc/52/98/92/567529892.db2.gz IGFQNPMZXWXJCJ-UHFFFAOYSA-N 0 0 386.882 3.273 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCCCNC(=O)C1CCCC1 ZINC000479423634 567534527 /nfs/dbraw/zinc/53/45/27/567534527.db2.gz QOGFIIPVOBQHGI-UHFFFAOYSA-N 0 0 381.270 3.405 10 30 GGEERN N#CC1(C(=O)Nc2cc(Br)cc(Br)c2)CCOCC1 ZINC000529693553 567540102 /nfs/dbraw/zinc/54/01/02/567540102.db2.gz IYADLCUXAKNBIE-UHFFFAOYSA-N 0 0 388.059 3.470 10 30 GGEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1nc(-c2cccs2)ns1 ZINC000504563660 567540282 /nfs/dbraw/zinc/54/02/82/567540282.db2.gz OSZDGMLXDNVHAW-MRXNPFEDSA-N 0 0 378.479 3.467 10 30 GGEERN C=CCN(CCO[C@H]1CC1(F)F)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000663930872 567543003 /nfs/dbraw/zinc/54/30/03/567543003.db2.gz RAQBRVGIIBEYAG-ZDUSSCGKSA-N 0 0 385.354 3.306 10 30 GGEERN N#C[C@@H](NC(=O)c1cnc(OCC2CC2)cn1)c1ccc(Br)cc1 ZINC000551918262 567543632 /nfs/dbraw/zinc/54/36/32/567543632.db2.gz LFQCDOMDDHAIAW-CQSZACIVSA-N 0 0 387.237 3.023 10 30 GGEERN CC(C)(C)C1CC(NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000479554230 567545185 /nfs/dbraw/zinc/54/51/85/567545185.db2.gz FSWCVYCCTLIRKF-UHFFFAOYSA-N 0 0 378.270 3.200 10 30 GGEERN N#CC1(CNC(=O)C(=O)Nc2ccc(Br)c(F)c2)CCCCC1 ZINC000595188374 567547039 /nfs/dbraw/zinc/54/70/39/567547039.db2.gz NYVABMDPENTZLW-UHFFFAOYSA-N 0 0 382.233 3.117 10 30 GGEERN N#CC1(CNC(=O)C(=O)Nc2cc(Br)ccc2F)CCCCC1 ZINC000595188109 567547110 /nfs/dbraw/zinc/54/71/10/567547110.db2.gz JJLZDSOBGNGPSI-UHFFFAOYSA-N 0 0 382.233 3.117 10 30 GGEERN C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000479630989 567548465 /nfs/dbraw/zinc/54/84/65/567548465.db2.gz CUAYSQAXCCQSLU-QWHCGFSZSA-N 0 0 376.865 3.251 10 30 GGEERN CC(C)(C)C(F)(F)CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000595219508 567548681 /nfs/dbraw/zinc/54/86/81/567548681.db2.gz HYFVAQCKSVMMRN-UHFFFAOYSA-N 0 0 388.212 3.057 10 30 GGEERN Cc1cc(C#N)cnc1C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000552003159 567549026 /nfs/dbraw/zinc/54/90/26/567549026.db2.gz OMSSMHYXEPKMOJ-UHFFFAOYSA-N 0 0 375.182 3.493 10 30 GGEERN N#Cc1cnc(CS[C@@H]2CCN(c3cccc(Br)c3)C2=O)nc1 ZINC000571269210 567549212 /nfs/dbraw/zinc/54/92/12/567549212.db2.gz JLLITWLKRYNEBK-CQSZACIVSA-N 0 0 389.278 3.149 10 30 GGEERN C[C@@H](NC(=O)[C@H](C)S(=O)(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000479630988 567549150 /nfs/dbraw/zinc/54/91/50/567549150.db2.gz CUAYSQAXCCQSLU-OLZOCXBDSA-N 0 0 376.865 3.251 10 30 GGEERN COCCN(Cc1ccc(Br)s1)C(=O)c1ncc(C#N)cc1C ZINC000552021246 567550730 /nfs/dbraw/zinc/55/07/30/567550730.db2.gz GHRGCRCGKPHWJI-UHFFFAOYSA-N 0 0 394.294 3.375 10 30 GGEERN O=C(NCC[C@H](O)C(F)(F)F)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000504960426 567554631 /nfs/dbraw/zinc/55/46/31/567554631.db2.gz XTBSPEQOTXYBSD-JTQLQIEISA-N 0 0 378.244 3.202 10 30 GGEERN N#C[C@H](NC(=O)c1cccc(C(=O)NC2CC2)c1)c1cccc(Br)c1 ZINC000438944634 567555774 /nfs/dbraw/zinc/55/57/74/567555774.db2.gz RGMQDJKIDZRHIG-KRWDZBQOSA-N 0 0 398.260 3.336 10 30 GGEERN N#C[C@@H](NC(=O)c1cccc(C(=O)NC2CC2)c1)c1cccc(Br)c1 ZINC000438944635 567556062 /nfs/dbraw/zinc/55/60/62/567556062.db2.gz RGMQDJKIDZRHIG-QGZVFWFLSA-N 0 0 398.260 3.336 10 30 GGEERN C[C@H](C#N)CN(C)C(=O)c1ccc2cc(I)ccc2n1 ZINC000479748960 567556666 /nfs/dbraw/zinc/55/66/66/567556666.db2.gz ONQANHUDQMDPMV-SNVBAGLBSA-N 0 0 379.201 3.071 10 30 GGEERN CC(C)[C@@H](O)[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC000595352213 567557171 /nfs/dbraw/zinc/55/71/71/567557171.db2.gz ANCMQGSPVUKUQM-ZWKOTPCHSA-N 0 0 378.881 3.248 10 30 GGEERN CCN([C@H](C)C#N)S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000595358532 567557221 /nfs/dbraw/zinc/55/72/21/567557221.db2.gz ZMHLTJMATUXJKD-MRVPVSSYSA-N 0 0 385.205 3.391 10 30 GGEERN CC1(C)[C@H](CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1(F)F ZINC000595350570 567557253 /nfs/dbraw/zinc/55/72/53/567557253.db2.gz FELBDTKDEBFSQJ-NSHDSACASA-N 0 0 397.216 3.029 10 30 GGEERN CC(C)[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000595353079 567557895 /nfs/dbraw/zinc/55/78/95/567557895.db2.gz HZLSACFVTKLJAI-MSOLQXFVSA-N 0 0 378.881 3.248 10 30 GGEERN C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000595358300 567557921 /nfs/dbraw/zinc/55/79/21/567557921.db2.gz SYRCQKMEGWOJKU-LBPRGKRZSA-N 0 0 399.310 3.043 10 30 GGEERN Cc1cc([C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)c(O)cc1Cl ZINC000595352451 567558295 /nfs/dbraw/zinc/55/82/95/567558295.db2.gz KXUWUSJQIKTYLB-CQSZACIVSA-N 0 0 376.865 3.404 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@H](CO)c2cccc(Cl)c2Cl)CCCC1 ZINC000595368922 567558808 /nfs/dbraw/zinc/55/88/08/567558808.db2.gz AVEUZJKCNYSMCM-CYBMUJFWSA-N 0 0 377.293 3.030 10 30 GGEERN C[C@]1(C#N)CCN(S(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)C1 ZINC000595368305 567558866 /nfs/dbraw/zinc/55/88/66/567558866.db2.gz ZVYUWICTWNHNSJ-GFCCVEGCSA-N 0 0 397.216 3.392 10 30 GGEERN CC[C@H](Cc1ccc(Br)cc1)NS(=O)(=O)CC1(C#N)CCC1 ZINC000595374736 567559075 /nfs/dbraw/zinc/55/90/75/567559075.db2.gz CYJAYZIFWYSCJL-OAHLLOKOSA-N 0 0 385.327 3.383 10 30 GGEERN C[C@]1(C#N)CCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000595372027 567559562 /nfs/dbraw/zinc/55/95/62/567559562.db2.gz NLEWBASWAXXBAS-CYBMUJFWSA-N 0 0 377.691 3.168 10 30 GGEERN Cc1ncc(S(=O)(=O)N2CC[C@@H]2c2ccc(Br)cc2)cc1C#N ZINC000595376212 567560360 /nfs/dbraw/zinc/56/03/60/567560360.db2.gz YXJWXHFPUQLVAU-MRXNPFEDSA-N 0 0 392.278 3.160 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000595384751 567560743 /nfs/dbraw/zinc/56/07/43/567560743.db2.gz MKOWPMGNJQUJKK-OAHLLOKOSA-N 0 0 383.311 3.440 10 30 GGEERN N#CC1(CS(=O)(=O)N2CCOc3cc(Br)ccc3C2)CCCC1 ZINC000595387353 567560919 /nfs/dbraw/zinc/56/09/19/567560919.db2.gz PMSOZFKSYBJJIM-UHFFFAOYSA-N 0 0 399.310 3.057 10 30 GGEERN CS(=O)(=O)Cc1cccc(CNc2cccc(Br)c2C#N)c1 ZINC000571427000 567561700 /nfs/dbraw/zinc/56/17/00/567561700.db2.gz GNXMZQDSJGDFBN-UHFFFAOYSA-N 0 0 379.279 3.477 10 30 GGEERN C[C@H]1CN(S(=O)(=O)CC2(CC#N)CC2)c2ccc(Br)cc2O1 ZINC000595404423 567561869 /nfs/dbraw/zinc/56/18/69/567561869.db2.gz YHUDMIMIPOWCDA-NSHDSACASA-N 0 0 385.283 3.060 10 30 GGEERN Cc1nc(CN2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)co1 ZINC000595408570 567561908 /nfs/dbraw/zinc/56/19/08/567561908.db2.gz QJMOAQGJESNUEJ-QGZVFWFLSA-N 0 0 375.270 3.128 10 30 GGEERN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000595416395 567563560 /nfs/dbraw/zinc/56/35/60/567563560.db2.gz WOIUXFDQDUWPSS-MRXNPFEDSA-N 0 0 386.445 3.126 10 30 GGEERN C[C@@H](NC(=O)N1CC[C@](C)(C#N)C1)c1cc2c(cc1Br)OCCO2 ZINC000595452363 567565002 /nfs/dbraw/zinc/56/50/02/567565002.db2.gz JNMWTVVSZKDSCE-PIGZYNQJSA-N 0 0 394.269 3.226 10 30 GGEERN C[C@H](NC(=O)N1CC[C@](C)(C#N)C1)c1cc2c(cc1Br)OCCO2 ZINC000595452360 567565515 /nfs/dbraw/zinc/56/55/15/567565515.db2.gz JNMWTVVSZKDSCE-APPDUMDISA-N 0 0 394.269 3.226 10 30 GGEERN C[C@]1(C#N)CCN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)C1 ZINC000595474450 567566064 /nfs/dbraw/zinc/56/60/64/567566064.db2.gz LSSNITRDAJQGBR-KBXCAEBGSA-N 0 0 391.313 3.221 10 30 GGEERN C[C@]1(C#N)CCN(C(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000595465132 567566881 /nfs/dbraw/zinc/56/68/81/567566881.db2.gz FZQHPSJXDQPDGU-RDTXWAMCSA-N 0 0 391.313 3.221 10 30 GGEERN N#Cc1ccncc1N1CCN(Cc2ncc(Br)cc2Cl)CC1 ZINC000595501182 567568233 /nfs/dbraw/zinc/56/82/33/567568233.db2.gz JOAXMSOYKZZXDN-UHFFFAOYSA-N 0 0 392.688 3.086 10 30 GGEERN CO[C@@H](c1ccccc1Cl)[C@@H](C)NS(=O)(=O)c1ccc(F)c(C#N)c1 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C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000572715796 567660070 /nfs/dbraw/zinc/66/00/70/567660070.db2.gz FIXJRZWJYBXRFW-LRDDRELGSA-N 0 0 391.269 3.347 10 30 GGEERN COc1ccc(NC(=O)N2CC[C@@](C)(C#N)C2)c(I)c1 ZINC000596878133 567661093 /nfs/dbraw/zinc/66/10/93/567661093.db2.gz XKPSZSFHNGDHJK-AWEZNQCLSA-N 0 0 385.205 3.067 10 30 GGEERN N#CCC1CN(C(=O)Nc2cc(Br)cc(C(=O)N3CCCC3)c2)C1 ZINC000596881511 567661413 /nfs/dbraw/zinc/66/14/13/567661413.db2.gz QUBWTZGSWYERQI-UHFFFAOYSA-N 0 0 391.269 3.062 10 30 GGEERN N#Cc1ccc(C(=O)N2CCOc3cc(Br)c(Cl)cc32)cn1 ZINC000481199872 567662348 /nfs/dbraw/zinc/66/23/48/567662348.db2.gz FTEVKQGGSPQZHA-UHFFFAOYSA-N 0 0 378.613 3.408 10 30 GGEERN C=CCNc1ncc(C(=O)N[C@H]2CCOc3c(Br)cccc32)s1 ZINC000507164393 567663332 /nfs/dbraw/zinc/66/33/32/567663332.db2.gz YNCJQHQXCPLHLB-LBPRGKRZSA-N 0 0 394.294 3.179 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)[C@H](CC(=C)C)NC(C)=O ZINC000622883930 567663780 /nfs/dbraw/zinc/66/37/80/567663780.db2.gz RGDRUAMTWZHDKY-HNNXBMFYSA-N 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/nfs/dbraw/zinc/67/28/01/567672801.db2.gz GNZFFFKOOPEGNG-DZGCQCFKSA-N 0 0 385.327 3.363 10 30 GGEERN C=CCn1c(-c2ccc(F)cc2Br)nnc1N1CCOC[C@H]1C ZINC000572923156 567675341 /nfs/dbraw/zinc/67/53/41/567675341.db2.gz NVMSPMLSAKZDQK-LLVKDONJSA-N 0 0 381.249 3.258 10 30 GGEERN N#C[C@]1(NC(=O)c2cc(Br)cc(N3CCCC3)c2)CCSC1 ZINC000597036420 567677309 /nfs/dbraw/zinc/67/73/09/567677309.db2.gz RODGXMGSBJGNNS-MRXNPFEDSA-N 0 0 380.311 3.178 10 30 GGEERN Cc1cc(C)c(NC(=O)C(=O)N(C[C@@H](C)C#N)C2CC2)c(Br)c1 ZINC000441918389 567677643 /nfs/dbraw/zinc/67/76/43/567677643.db2.gz XCEKYRPIGQENEP-NSHDSACASA-N 0 0 378.270 3.155 10 30 GGEERN Cc1cc(C)c(NC(=O)C(=O)N(C[C@@H](C)C#N)C2CC2)cc1Br ZINC000441910420 567678363 /nfs/dbraw/zinc/67/83/63/567678363.db2.gz WPNXMTQFVLFIOW-JTQLQIEISA-N 0 0 378.270 3.155 10 30 GGEERN CCOc1c(Cl)cc(NC(=O)C(=O)N(C[C@@H](C)C#N)C2CC2)cc1Cl ZINC000441912844 567678428 /nfs/dbraw/zinc/67/84/28/567678428.db2.gz RMMVWCZFMKPNOA-JTQLQIEISA-N 0 0 384.263 3.481 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000666458874 567678544 /nfs/dbraw/zinc/67/85/44/567678544.db2.gz MQUWQBZIHPVHBC-INIZCTEOSA-N 0 0 381.314 3.314 10 30 GGEERN C[C@H](CC#N)C(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000597051245 567678703 /nfs/dbraw/zinc/67/87/03/567678703.db2.gz SEPRAXRVKCFRNE-GFCCVEGCSA-N 0 0 378.270 3.176 10 30 GGEERN C[C@@H](CC#N)C(=O)N1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000597051790 567678864 /nfs/dbraw/zinc/67/88/64/567678864.db2.gz MAHBLVUEHWXOJW-LBPRGKRZSA-N 0 0 378.270 3.176 10 30 GGEERN COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1Cl ZINC000441967691 567678927 /nfs/dbraw/zinc/67/89/27/567678927.db2.gz HXYNNGOFMNZUCC-NSHDSACASA-N 0 0 378.837 3.038 10 30 GGEERN C[C@@H](CC#N)C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000597062110 567679459 /nfs/dbraw/zinc/67/94/59/567679459.db2.gz CZLVTKCKKVJAPX-LBPRGKRZSA-N 0 0 378.270 3.176 10 30 GGEERN C[C@H](C#N)CNC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000531800284 567680122 /nfs/dbraw/zinc/68/01/22/567680122.db2.gz 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567685133 /nfs/dbraw/zinc/68/51/33/567685133.db2.gz CGFANHBDOCGNQC-RDBSUJKOSA-N 0 0 376.762 3.005 10 30 GGEERN N#Cc1ccc(OC2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000507564192 567686090 /nfs/dbraw/zinc/68/60/90/567686090.db2.gz HJQHDFYGCOGCHP-UHFFFAOYSA-N 0 0 376.865 3.444 10 30 GGEERN N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000553806371 567687269 /nfs/dbraw/zinc/68/72/69/567687269.db2.gz FPDMKMCKGCTFDA-IUODEOHRSA-N 0 0 395.253 3.294 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000553811919 567687766 /nfs/dbraw/zinc/68/77/66/567687766.db2.gz YMEFZOUDUHDPDM-MRXNPFEDSA-N 0 0 377.213 3.232 10 30 GGEERN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN1CC(CC#N)C1 ZINC000597202868 567688334 /nfs/dbraw/zinc/68/83/34/567688334.db2.gz DHHJCDRVGRRJJW-UHFFFAOYSA-N 0 0 379.247 3.311 10 30 GGEERN N#CCc1ccnc(NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)c1 ZINC000531925318 567688759 /nfs/dbraw/zinc/68/87/59/567688759.db2.gz WDUUASOEJAUCOB-UHFFFAOYSA-N 0 0 383.205 3.416 10 30 GGEERN CCn1c(CNC(=O)c2ccc(C#N)nc2)nc2cc(Br)ccc21 ZINC000481599727 567691218 /nfs/dbraw/zinc/69/12/18/567691218.db2.gz XTZHPPZAMSRMLY-UHFFFAOYSA-N 0 0 384.237 3.015 10 30 GGEERN N#CC1(CC(=O)NCCCc2ccc(Br)cc2F)CCOCC1 ZINC000597252086 567691335 /nfs/dbraw/zinc/69/13/35/567691335.db2.gz GLZZXPAYVLBLRP-UHFFFAOYSA-N 0 0 383.261 3.347 10 30 GGEERN Cc1c(Br)cncc1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000597242170 567691500 /nfs/dbraw/zinc/69/15/00/567691500.db2.gz JMWUHKFHWRGHET-INIZCTEOSA-N 0 0 399.292 3.003 10 30 GGEERN COc1cc(CNC(=O)c2c(C)nc3ccc(Br)cn32)ccc1C#N ZINC000460613921 567694058 /nfs/dbraw/zinc/69/40/58/567694058.db2.gz KLLIVUQNYRTMDK-UHFFFAOYSA-N 0 0 399.248 3.216 10 30 GGEERN C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](CC#N)C1 ZINC000597288390 567694572 /nfs/dbraw/zinc/69/45/72/567694572.db2.gz UVBRDJXJSIOOTR-CYBMUJFWSA-N 0 0 389.301 3.362 10 30 GGEERN C=CCn1c(=O)c2c3c(sc2nc1SC[C@H](O)C(F)(F)F)CCC3 ZINC000460594837 567694597 /nfs/dbraw/zinc/69/45/97/567694597.db2.gz XZGVRSADVHYQIE-JTQLQIEISA-N 0 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/nfs/dbraw/zinc/70/06/93/567700693.db2.gz HYPARCMWGSPXPW-UHFFFAOYSA-N 0 0 377.282 3.353 10 30 GGEERN N#C[C@@H]1CSCCN1C(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000597480383 567701310 /nfs/dbraw/zinc/70/13/10/567701310.db2.gz XYUTYGIDOFTILI-OAHLLOKOSA-N 0 0 380.311 3.130 10 30 GGEERN C[C@@]1(C#N)CCCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)C1 ZINC000597499037 567701384 /nfs/dbraw/zinc/70/13/84/567701384.db2.gz LMYICRGYVIBZCF-VYDXJSESSA-N 0 0 378.270 3.074 10 30 GGEERN N#CCC1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000597497552 567701467 /nfs/dbraw/zinc/70/14/67/567701467.db2.gz IKGZFPLCQVQYJC-CVEARBPZSA-N 0 0 378.270 3.074 10 30 GGEERN COc1cc(Br)ccc1CCCNC(=O)CC1(C#N)CCOCC1 ZINC000597498056 567701515 /nfs/dbraw/zinc/70/15/15/567701515.db2.gz SLBIJDVQKWMNKN-UHFFFAOYSA-N 0 0 395.297 3.217 10 30 GGEERN Cc1nc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)sc1SCC#N ZINC000573281820 567702421 /nfs/dbraw/zinc/70/24/21/567702421.db2.gz AXGCKWVUSXQVDY-UHFFFAOYSA-N 0 0 384.389 3.435 10 30 GGEERN 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385.265 3.245 10 30 GGEERN N#CC1(CC(=O)N[C@@H]2CCOc3c(Br)cccc32)CCOCC1 ZINC000597623824 567708996 /nfs/dbraw/zinc/70/89/96/567708996.db2.gz NMKUUVVRVXPKSH-CQSZACIVSA-N 0 0 379.254 3.099 10 30 GGEERN CC(C)(C)n1cc(Br)c(C(=O)NCc2cc(F)c(C#N)c(F)c2)n1 ZINC000597618360 567709030 /nfs/dbraw/zinc/70/90/30/567709030.db2.gz TTZZOYNELGRJNY-UHFFFAOYSA-N 0 0 397.223 3.480 10 30 GGEERN C[C@H](CC#N)C(=O)N(CCn1ccnc1)Cc1ccccc1Br ZINC000597617955 567709061 /nfs/dbraw/zinc/70/90/61/567709061.db2.gz YCYJDXBPFOPCHV-CQSZACIVSA-N 0 0 375.270 3.224 10 30 GGEERN C[C@@H](CC#N)C(=O)NCc1ccc(NC(=O)[C@@H](C)CC#N)cc1Br ZINC000597681091 567710994 /nfs/dbraw/zinc/71/09/94/567710994.db2.gz WCWVEWWVPUQXFB-RYUDHWBXSA-N 0 0 391.269 3.103 10 30 GGEERN C[C@H](CC#N)C(=O)NCc1ccc(NC(=O)[C@H](C)CC#N)cc1Br ZINC000597681092 567711707 /nfs/dbraw/zinc/71/17/07/567711707.db2.gz WCWVEWWVPUQXFB-VXGBXAGGSA-N 0 0 391.269 3.103 10 30 GGEERN C[C@@H](CC#N)C(=O)N1CC[C@H](Cc2cccc(I)c2)C1 ZINC000597711858 567712453 /nfs/dbraw/zinc/71/24/53/567712453.db2.gz KPODZBCKNPNJGT-GXTWGEPZSA-N 0 0 382.245 3.232 10 30 GGEERN N#CC1(CC(=O)NCCc2ccc(Br)cc2Cl)CCOCC1 ZINC000597698845 567712633 /nfs/dbraw/zinc/71/26/33/567712633.db2.gz CRDZTCIVRINXAG-UHFFFAOYSA-N 0 0 385.689 3.472 10 30 GGEERN C[C@H](CC#N)C(=O)NC1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000597695180 567712655 /nfs/dbraw/zinc/71/26/55/567712655.db2.gz OXFJJKZDFCFCOM-GFCCVEGCSA-N 0 0 383.261 3.346 10 30 GGEERN CC(C)(C(=O)N[C@@H](C#N)CO)c1csc(-c2c(Cl)cccc2Cl)n1 ZINC000597739420 567715131 /nfs/dbraw/zinc/71/51/31/567715131.db2.gz VPEWSCLRMWLXNZ-VIFPVBQESA-N 0 0 384.288 3.395 10 30 GGEERN Cc1[nH]nc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c1Br ZINC000597731727 567715747 /nfs/dbraw/zinc/71/57/47/567715747.db2.gz OHVGPXPPEZFYSN-UHFFFAOYSA-N 0 0 394.298 3.403 10 30 GGEERN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)C1(S(C)(=O)=O)CC1 ZINC000554205663 567716273 /nfs/dbraw/zinc/71/62/73/567716273.db2.gz DOMUCQBPGPMZOE-CHWSQXEVSA-N 0 0 381.523 3.026 10 30 GGEERN C[C@@H](NC(=O)Nc1ccccc1S[C@@H](C)CC#N)C1(S(C)(=O)=O)CC1 ZINC000554212257 567716448 /nfs/dbraw/zinc/71/64/48/567716448.db2.gz SQRXVTOYCVDZFZ-QWHCGFSZSA-N 0 0 381.523 3.168 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000666991973 567717226 /nfs/dbraw/zinc/71/72/26/567717226.db2.gz NQIPFZGSAVRYQH-KRWDZBQOSA-N 0 0 393.325 3.458 10 30 GGEERN C=CC[C@H]1CCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)C1 ZINC000623508427 567717583 /nfs/dbraw/zinc/71/75/83/567717583.db2.gz YAXICNCRWDFGAI-LBPRGKRZSA-N 0 0 381.270 3.328 10 30 GGEERN COc1ccc(Br)cc1C1(NC(=O)CC2(C#N)CCOCC2)CC1 ZINC000597806750 567717856 /nfs/dbraw/zinc/71/78/56/567717856.db2.gz JBLIWSPRZDBEKO-UHFFFAOYSA-N 0 0 393.281 3.273 10 30 GGEERN N#Cc1cccc2c1CN(C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)C2 ZINC000597828653 567717977 /nfs/dbraw/zinc/71/79/77/567717977.db2.gz NQTUULQXDKISRR-AEFFLSMTSA-N 0 0 398.260 3.336 10 30 GGEERN C=CCCCN(C)C(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000573495225 567717925 /nfs/dbraw/zinc/71/79/25/567717925.db2.gz MJOMBSJTLHGNSD-UHFFFAOYSA-N 0 0 398.834 3.062 10 30 GGEERN C[C@](CO)(NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000597842958 567719860 /nfs/dbraw/zinc/71/98/60/567719860.db2.gz RXEHKKLCRNHFDI-NLWGTHIKSA-N 0 0 399.288 3.448 10 30 GGEERN CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000573543028 567720521 /nfs/dbraw/zinc/72/05/21/567720521.db2.gz FIWRHKXCKOUKRH-DRXBFXEBSA-N 0 0 379.254 3.013 10 30 GGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000597863376 567720597 /nfs/dbraw/zinc/72/05/97/567720597.db2.gz FPJSKZAAYPPDTG-DZGCQCFKSA-N 0 0 377.535 3.240 10 30 GGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000597863379 567721006 /nfs/dbraw/zinc/72/10/06/567721006.db2.gz FPJSKZAAYPPDTG-ZFWWWQNUSA-N 0 0 377.535 3.240 10 30 GGEERN C=CC[C@@H]1CCCC[C@H]1NC(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000597863378 567721159 /nfs/dbraw/zinc/72/11/59/567721159.db2.gz FPJSKZAAYPPDTG-UKRRQHHQSA-N 0 0 377.535 3.240 10 30 GGEERN 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381.270 3.021 10 30 GGEERN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc(Cl)sc1Cl ZINC000461288571 567728275 /nfs/dbraw/zinc/72/82/75/567728275.db2.gz AAWGEOAABORPRI-UHFFFAOYSA-N 0 0 378.244 3.490 10 30 GGEERN Cc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c(Br)c1 ZINC000461286437 567728404 /nfs/dbraw/zinc/72/84/04/567728404.db2.gz TVPYXQRNMFLBOK-UHFFFAOYSA-N 0 0 382.221 3.462 10 30 GGEERN C=CCCNC(=O)Cc1cc(Br)cc(I)c1 ZINC000597962799 567728581 /nfs/dbraw/zinc/72/85/81/567728581.db2.gz GNOHDMYINMVNDG-UHFFFAOYSA-N 0 0 394.050 3.289 10 30 GGEERN CN1CCc2ccc(S(=O)(=O)Nc3ccc(C#N)c(Br)c3)cc21 ZINC000508105813 567730270 /nfs/dbraw/zinc/73/02/70/567730270.db2.gz YNDHMEGISNVZOR-UHFFFAOYSA-N 0 0 392.278 3.114 10 30 GGEERN CCC[C@H](C#N)NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000532764790 567732900 /nfs/dbraw/zinc/73/29/00/567732900.db2.gz ZMZDAUZMGCSIQS-SECBINFHSA-N 0 0 385.205 3.438 10 30 GGEERN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@](C)(C#N)C(C)(C)C ZINC000508179083 567735897 /nfs/dbraw/zinc/73/58/97/567735897.db2.gz 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567737290 /nfs/dbraw/zinc/73/72/90/567737290.db2.gz KSYGVIKECQDJDR-LLVKDONJSA-N 0 0 387.299 3.161 10 30 GGEERN CC(=O)N[C@@H](CC(=O)N(C[C@H](C)C#N)C1CC1)c1ccc(Br)cc1 ZINC000532821306 567737711 /nfs/dbraw/zinc/73/77/11/567737711.db2.gz LHWIPCQQLHMMSJ-PXAZEXFGSA-N 0 0 392.297 3.167 10 30 GGEERN C[C@@H](C#N)N(C(=O)c1ccc2cc(I)ccc2n1)C1CC1 ZINC000598137859 567741825 /nfs/dbraw/zinc/74/18/25/567741825.db2.gz NMVJEVXTERQQGL-JTQLQIEISA-N 0 0 391.212 3.356 10 30 GGEERN COC[C@@](C)(C#N)NC(=O)c1cc(Oc2cccc(Br)c2)ccn1 ZINC000532903202 567742696 /nfs/dbraw/zinc/74/26/96/567742696.db2.gz IEUPILRZOZGOJN-QGZVFWFLSA-N 0 0 390.237 3.295 10 30 GGEERN N#CC1CCC(CNC(=O)COc2cccc(I)c2)CC1 ZINC000508362620 567745204 /nfs/dbraw/zinc/74/52/04/567745204.db2.gz OLTCDCYFIRULBN-UHFFFAOYSA-N 0 0 398.244 3.116 10 30 GGEERN N#CC1CCC(CNC(=O)c2ccc(F)c(I)c2)CC1 ZINC000508369114 567745798 /nfs/dbraw/zinc/74/57/98/567745798.db2.gz PWBKKFMTSSRUMM-UHFFFAOYSA-N 0 0 386.208 3.490 10 30 GGEERN C=CCOCCCNC(=O)c1cc(Cl)ccc1I ZINC000598209332 567747182 /nfs/dbraw/zinc/74/71/82/567747182.db2.gz SWFXAIGHAWKEFF-UHFFFAOYSA-N 0 0 379.625 3.267 10 30 GGEERN Cc1nc(N2CCN(c3ccc(Br)cn3)CC2)c(Cl)cc1C#N ZINC000461770684 567747510 /nfs/dbraw/zinc/74/75/10/567747510.db2.gz BXUDDRPCPUVKDB-UHFFFAOYSA-N 0 0 392.688 3.399 10 30 GGEERN C=CCOCCCNC(=O)C1(c2ccc(I)cc2)CC1 ZINC000598207612 567747562 /nfs/dbraw/zinc/74/75/62/567747562.db2.gz VVLFHQYQGVOSSH-UHFFFAOYSA-N 0 0 385.245 3.032 10 30 GGEERN Cc1cc(C#N)cnc1C(=O)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000598230411 567749374 /nfs/dbraw/zinc/74/93/74/567749374.db2.gz OVKOFAGFOSAHPB-MRXNPFEDSA-N 0 0 386.249 3.238 10 30 GGEERN N#Cc1cccc(C2(NC(=O)c3ncc(Br)s3)CCOCC2)c1 ZINC000598245211 567750538 /nfs/dbraw/zinc/75/05/38/567750538.db2.gz CCORHMKCDVIGST-UHFFFAOYSA-N 0 0 392.278 3.213 10 30 GGEERN N#Cc1cccc(C2(NC(=O)c3ccc(Br)o3)CCOCC2)c1 ZINC000598248568 567750681 /nfs/dbraw/zinc/75/06/81/567750681.db2.gz KSSSXYPUKVJQKH-UHFFFAOYSA-N 0 0 375.222 3.349 10 30 GGEERN N#Cc1cccc(C2(NC(=O)c3cc(Br)co3)CCOCC2)c1 ZINC000598250567 567750994 /nfs/dbraw/zinc/75/09/94/567750994.db2.gz WVOVWXILLUTKCC-UHFFFAOYSA-N 0 0 375.222 3.349 10 30 GGEERN Cc1cn2cc([N-]S(=O)(=O)c3cc(Br)cc(C#N)c3)ccc2[nH+]1 ZINC000443357979 567751423 /nfs/dbraw/zinc/75/14/23/567751423.db2.gz FSWFRQCWWDLDDF-UHFFFAOYSA-N 0 0 391.250 3.078 10 30 GGEERN Cc1ccc(Br)cc1NC(=O)CNC(=O)N1CCC(C)(C#N)CC1 ZINC000508551225 567753525 /nfs/dbraw/zinc/75/35/25/567753525.db2.gz VBHURENSYSLOKH-UHFFFAOYSA-N 0 0 393.285 3.031 10 30 GGEERN C[C@H](C#N)CN(C(=O)CSc1nncn1-c1cccc(Cl)c1)C1CC1 ZINC000533140735 567753662 /nfs/dbraw/zinc/75/36/62/567753662.db2.gz QVWWAANKULTVCN-GFCCVEGCSA-N 0 0 375.885 3.163 10 30 GGEERN N#Cc1ccc(CN(CCn2ccnc2)Cc2ccc(Br)o2)o1 ZINC000554884211 567754247 /nfs/dbraw/zinc/75/42/47/567754247.db2.gz VYNPHFOJBHOGBP-UHFFFAOYSA-N 0 0 375.226 3.406 10 30 GGEERN N#CC1(CNC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CCCCC1 ZINC000598305799 567754987 /nfs/dbraw/zinc/75/49/87/567754987.db2.gz ZSCCSJUTQZPBDH-UHFFFAOYSA-N 0 0 388.265 3.494 10 30 GGEERN C[C@@H](C#N)CN(C(=O)[C@H]1CCN(c2cc(Cl)ccc2Cl)C1=O)C1CC1 ZINC000533150552 567755476 /nfs/dbraw/zinc/75/54/76/567755476.db2.gz HWBXCBOFWRJSHC-FZMZJTMJSA-N 0 0 380.275 3.497 10 30 GGEERN C[C@@H]1[C@H](C(F)(F)F)OCCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000598317995 567755729 /nfs/dbraw/zinc/75/57/29/567755729.db2.gz BTYXLXFBSQPZHA-YMTOWFKASA-N 0 0 391.187 3.041 10 30 GGEERN N#Cc1c(Br)cccc1S(=O)(=O)N1CCCC[C@@H]1C(F)F ZINC000574108439 567756146 /nfs/dbraw/zinc/75/61/46/567756146.db2.gz PTJVSLDVRCXIEU-LLVKDONJSA-N 0 0 379.226 3.129 10 30 GGEERN C=CCCc1ccccc1NS(=O)(=O)c1cccc(S(=O)(=O)CC)c1 ZINC000443420863 567756789 /nfs/dbraw/zinc/75/67/89/567756789.db2.gz ACHABXVFKWWPQE-UHFFFAOYSA-N 0 0 379.503 3.400 10 30 GGEERN CC1(C)CCC(O)(CNC(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000598338932 567757148 /nfs/dbraw/zinc/75/71/48/567757148.db2.gz OTOBZEPGLSTDCH-UHFFFAOYSA-N 0 0 379.298 3.311 10 30 GGEERN CC1(C)[C@@H](CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1(F)F ZINC000598338224 567757349 /nfs/dbraw/zinc/75/73/49/567757349.db2.gz WEMHKTIWEDHRBU-CQSZACIVSA-N 0 0 398.251 3.164 10 30 GGEERN CCN(C(=O)c1ccc2cc(I)ccc2n1)[C@@H](C)C#N ZINC000598363671 567758201 /nfs/dbraw/zinc/75/82/01/567758201.db2.gz SUHMODCJDMMNOG-JTQLQIEISA-N 0 0 379.201 3.214 10 30 GGEERN CCN(C(=O)c1cnc2c(Cl)cc(Br)cc2c1O)[C@@H](C)C#N ZINC000598361896 567758510 /nfs/dbraw/zinc/75/85/10/567758510.db2.gz RTODWCBQUXQMAG-QMMMGPOBSA-N 0 0 382.645 3.318 10 30 GGEERN Cc1ccc(N[C@H](C)c2ccc(Br)cc2OCCCO)nc1C#N ZINC000461997636 567758823 /nfs/dbraw/zinc/75/88/23/567758823.db2.gz ZEILBBWDOMFBMD-CYBMUJFWSA-N 0 0 390.281 3.380 10 30 GGEERN C[C@H](Nc1cnc(C#N)cn1)c1ccc(Br)cc1OCCCO ZINC000461999299 567759039 /nfs/dbraw/zinc/75/90/39/567759039.db2.gz DMBLLMFZVGKZPG-NSHDSACASA-N 0 0 377.242 3.045 10 30 GGEERN C=C(C)CCc1noc(CCN2C(=O)COc3cc(Br)ccc32)n1 ZINC000508684723 567762882 /nfs/dbraw/zinc/76/28/82/567762882.db2.gz CQHVHXDSLBBIHI-UHFFFAOYSA-N 0 0 392.253 3.309 10 30 GGEERN C[C@]1(C#N)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000598411838 567763290 /nfs/dbraw/zinc/76/32/90/567763290.db2.gz QQBOWWMPWVUJRD-CRAIPNDOSA-N 0 0 380.275 3.360 10 30 GGEERN CN1C(=O)C[C@H](C(=O)N2CC[C@](C)(C#N)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000598414887 567763316 /nfs/dbraw/zinc/76/33/16/567763316.db2.gz JGGAVXIIUBMMHS-BJOOFOGMSA-N 0 0 380.275 3.275 10 30 GGEERN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000598413475 567763438 /nfs/dbraw/zinc/76/34/38/567763438.db2.gz RZOIZEZLSDKTHC-KDOFPFPSSA-N 0 0 380.535 3.113 10 30 GGEERN C[C@@]1(C#N)CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000598411848 567763591 /nfs/dbraw/zinc/76/35/91/567763591.db2.gz QQBOWWMPWVUJRD-YJBOKZPZSA-N 0 0 380.275 3.360 10 30 GGEERN COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[C@](C)(C#N)C1 ZINC000598407798 567763656 /nfs/dbraw/zinc/76/36/56/567763656.db2.gz FSPCSWXBCFOLTK-MAUKXSAKSA-N 0 0 379.298 3.406 10 30 GGEERN CN1C(=O)C[C@H](C(=O)N2CC[C@@](C)(C#N)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000598414890 567763723 /nfs/dbraw/zinc/76/37/23/567763723.db2.gz JGGAVXIIUBMMHS-XZOAIXRZSA-N 0 0 380.275 3.275 10 30 GGEERN C[C@]1(C#N)CCN(C(=O)C2(c3ccc(I)cc3)CC2)C1 ZINC000598418021 567763785 /nfs/dbraw/zinc/76/37/85/567763785.db2.gz OGSBWBAUMIESBS-OAHLLOKOSA-N 0 0 380.229 3.085 10 30 GGEERN C[C@@]1(C#N)CCN(C(=O)C2(c3ccc(I)cc3)CC2)C1 ZINC000598418010 567763825 /nfs/dbraw/zinc/76/38/25/567763825.db2.gz OGSBWBAUMIESBS-HNNXBMFYSA-N 0 0 380.229 3.085 10 30 GGEERN C[C@@]1(C#N)CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)C1 ZINC000598410923 567763914 /nfs/dbraw/zinc/76/39/14/567763914.db2.gz HAQVSNUVPMRAME-INIZCTEOSA-N 0 0 377.217 3.150 10 30 GGEERN C=CCOCCCC(=O)Nc1nc2cc(I)ccc2[nH]1 ZINC000598424247 567764696 /nfs/dbraw/zinc/76/46/96/567764696.db2.gz PDIIFABJFHQFJS-UHFFFAOYSA-N 0 0 385.205 3.089 10 30 GGEERN O=S(=O)(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)N1CCC1 ZINC000647134849 567764861 /nfs/dbraw/zinc/76/48/61/567764861.db2.gz KFZZNZPWWQKBJV-UHFFFAOYSA-N 0 0 380.285 3.338 10 30 GGEERN 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C=C(C)C[C@H](NC(C)=O)C(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000667885078 567779972 /nfs/dbraw/zinc/77/99/72/567779972.db2.gz KNTKNOGKMSQGHD-INIZCTEOSA-N 0 0 381.314 3.314 10 30 GGEERN COc1nc(C)cc(C)c1CN(C)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000598627043 567780558 /nfs/dbraw/zinc/78/05/58/567780558.db2.gz GITLIBZLVUSMDK-UHFFFAOYSA-N 0 0 379.869 3.053 10 30 GGEERN CC(=O)Nc1ccccc1CC(=O)N[C@@H](C#N)c1ccc(Br)cc1 ZINC000443949927 567781418 /nfs/dbraw/zinc/78/14/18/567781418.db2.gz UHOHSSHLWYHTJK-KRWDZBQOSA-N 0 0 386.249 3.331 10 30 GGEERN N#C[C@H](NC(=O)c1coc(C2CCOCC2)n1)c1ccc(Br)cc1 ZINC000443945334 567781565 /nfs/dbraw/zinc/78/15/65/567781565.db2.gz JHVGYSKQMZEPOW-AWEZNQCLSA-N 0 0 390.237 3.326 10 30 GGEERN N#Cc1ccc(N2CCN(c3ncncc3Br)CC2)c(Cl)c1 ZINC000443965274 567782608 /nfs/dbraw/zinc/78/26/08/567782608.db2.gz QTBFNWLGICVNOK-UHFFFAOYSA-N 0 0 378.661 3.091 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[C@H]2c2ccccc2)cc1Br ZINC000555415047 567783185 /nfs/dbraw/zinc/78/31/85/567783185.db2.gz 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567788881 /nfs/dbraw/zinc/78/88/81/567788881.db2.gz ZULUCKAVPNMWCD-AWEZNQCLSA-N 0 0 376.555 3.124 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000668027053 567790265 /nfs/dbraw/zinc/79/02/65/567790265.db2.gz DLIRFJMYQBUEOK-IAGOWNOFSA-N 0 0 385.291 3.364 10 30 GGEERN Cc1ncc(S(=O)(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)cc1C#N ZINC000555575325 567790234 /nfs/dbraw/zinc/79/02/34/567790234.db2.gz MIWUZUCZBCRJIT-INIZCTEOSA-N 0 0 393.921 3.470 10 30 GGEERN COc1ccc(C(=O)N[C@](C)(C#N)CC(C)C)c(I)c1 ZINC000533875569 567790904 /nfs/dbraw/zinc/79/09/04/567790904.db2.gz GQEPGZFQLGKTDC-HNNXBMFYSA-N 0 0 386.233 3.358 10 30 GGEERN COC(=O)C1(C(=O)N[C@@H](C#N)c2cccc(Br)c2)CC2(CCC2)C1 ZINC000598823306 567792261 /nfs/dbraw/zinc/79/22/61/567792261.db2.gz FDALREURKZGNJN-AWEZNQCLSA-N 0 0 391.265 3.253 10 30 GGEERN CC(C)(C)OC(=O)[C@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)C1CC1 ZINC000598824270 567792617 /nfs/dbraw/zinc/79/26/17/567792617.db2.gz ONGACHCUJAYJCK-GJZGRUSLSA-N 0 0 393.281 3.498 10 30 GGEERN Cc1ccc(Cl)cc1N1CC[C@@H](CNS(=O)(=O)CC2(C#N)CCC2)C1 ZINC000574725797 567793188 /nfs/dbraw/zinc/79/31/88/567793188.db2.gz HWRLRRRJUMWMOO-HNNXBMFYSA-N 0 0 381.929 3.088 10 30 GGEERN N#Cc1cccc2c1CCN2C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000598846384 567794202 /nfs/dbraw/zinc/79/42/02/567794202.db2.gz XWRJIYSOWGEVLS-AEFFLSMTSA-N 0 0 398.260 3.383 10 30 GGEERN Cc1c(NC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]23)ccc(Br)c1C#N ZINC000598841005 567794262 /nfs/dbraw/zinc/79/42/62/567794262.db2.gz GKIACRJHXNZRCC-HSMVNMDESA-N 0 0 390.281 3.263 10 30 GGEERN COCC[C@](C)(C#N)NC(=O)c1cc(Br)cc(N2CCCC2)c1 ZINC000598843028 567794277 /nfs/dbraw/zinc/79/42/77/567794277.db2.gz ZNHDIXDRZVORJD-QGZVFWFLSA-N 0 0 380.286 3.098 10 30 GGEERN COC(=O)C1(C(=O)Nc2ccc(Br)c(C#N)c2)CC2(CCC2)C1 ZINC000598838954 567794300 /nfs/dbraw/zinc/79/43/00/567794300.db2.gz QGNMZUCHCAGIGM-UHFFFAOYSA-N 0 0 377.238 3.383 10 30 GGEERN CO[C@@](C)(C(=O)Nc1ccc(Br)c(C#N)c1C)C(=O)OC(C)(C)C ZINC000598843838 567794388 /nfs/dbraw/zinc/79/43/88/567794388.db2.gz QDKMTXUWKPUBFO-KRWDZBQOSA-N 0 0 397.269 3.315 10 30 GGEERN Cn1cc(C[C@H]2CCC[C@@H]2NC(=O)c2ccc(Br)cc2C#N)cn1 ZINC000598868518 567796084 /nfs/dbraw/zinc/79/60/84/567796084.db2.gz CLXQOZXVBSMRPJ-DYVFJYSZSA-N 0 0 387.281 3.195 10 30 GGEERN COC(=O)C1(C(=O)N[C@H](C#N)c2ccccc2Br)CC2(CCC2)C1 ZINC000598879367 567796827 /nfs/dbraw/zinc/79/68/27/567796827.db2.gz QEHBVMADZUKBQL-CQSZACIVSA-N 0 0 391.265 3.253 10 30 GGEERN N#C[C@@H](NC(=O)[C@H]1CCCN1c1nccs1)c1ccccc1Br ZINC000598879335 567797408 /nfs/dbraw/zinc/79/74/08/567797408.db2.gz PJNVBSSDPRDKEN-ZIAGYGMSSA-N 0 0 391.294 3.255 10 30 GGEERN C=CCn1c(COCC)nnc1N1CCc2cccc(Br)c2C1 ZINC000574797869 567798136 /nfs/dbraw/zinc/79/81/36/567798136.db2.gz LUEWLKPCDYJICG-UHFFFAOYSA-N 0 0 377.286 3.326 10 30 GGEERN CC[C@H](C#N)C(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000598912522 567798885 /nfs/dbraw/zinc/79/88/85/567798885.db2.gz BCEZMALKGWEHCM-GFCCVEGCSA-N 0 0 393.285 3.111 10 30 GGEERN C[C@H](C(=O)Nc1ccccc1C#N)N1CCc2nccc(Br)c2C1 ZINC000598947034 567799880 /nfs/dbraw/zinc/79/98/80/567799880.db2.gz WZVQRPHMZNAEPQ-GFCCVEGCSA-N 0 0 385.265 3.101 10 30 GGEERN N#CCCN(C(=O)CN1CCc2nccc(Br)c2C1)c1ccccc1 ZINC000598946594 567799904 /nfs/dbraw/zinc/79/99/04/567799904.db2.gz SRBGHRBXXUSIHX-UHFFFAOYSA-N 0 0 399.292 3.149 10 30 GGEERN CC(C)[C@@]1(C2CC2)NC(=O)N(Cc2ccc(Br)cc2C#N)C1=O ZINC000574839103 567800568 /nfs/dbraw/zinc/80/05/68/567800568.db2.gz IWLGAQGPAOCWKA-KRWDZBQOSA-N 0 0 376.254 3.177 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1 ZINC000574870715 567800856 /nfs/dbraw/zinc/80/08/56/567800856.db2.gz NTDZUYSBEYYJFN-FZMZJTMJSA-N 0 0 381.263 3.203 10 30 GGEERN C=CCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](CCF)C1 ZINC000624827836 567802112 /nfs/dbraw/zinc/80/21/12/567802112.db2.gz AEWVKUKVMGOEMD-ZDUSSCGKSA-N 0 0 395.276 3.458 10 30 GGEERN C=CCn1c(-c2cn[nH]c2)nnc1N1CCc2c(Br)cc(C)cc2C1 ZINC000624845826 567802781 /nfs/dbraw/zinc/80/27/81/567802781.db2.gz 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CC(C)c1cccc(NC(=NC(=O)c2ccccc2)NCCN2CCOCC2)c1 ZINC000046140731 570213058 /nfs/dbraw/zinc/21/30/58/570213058.db2.gz VATUJXHFLIPYHZ-UHFFFAOYSA-N 0 0 394.519 3.340 10 30 GGEERN COc1cccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cc(F)cc(F)c2)c1 ZINC000046133173 570213366 /nfs/dbraw/zinc/21/33/66/570213366.db2.gz XHXGWPMGZBREOU-SFHVURJKSA-N 0 0 389.402 3.350 10 30 GGEERN O=C(N=C(NC[C@H]1CCCO1)Nc1cc(F)cc(F)c1)c1cccc(F)c1 ZINC000046133161 570213478 /nfs/dbraw/zinc/21/34/78/570213478.db2.gz IMFOMBMVJDYRKY-QGZVFWFLSA-N 0 0 377.366 3.481 10 30 GGEERN N#Cc1c(F)cccc1N1CCN(C(=O)Nc2cccc(-c3nnco3)c2)CC1 ZINC000044084911 570235421 /nfs/dbraw/zinc/23/54/21/570235421.db2.gz JXGPFFLCFNDRIB-UHFFFAOYSA-N 0 0 392.394 3.101 10 30 GGEERN C#CCNC(=O)c1cccc(-n2nc(-c3nnc(C)o3)cc2CCC(C)C)c1 ZINC000023314114 570238241 /nfs/dbraw/zinc/23/82/41/570238241.db2.gz MOZKRGZZQKOMDJ-UHFFFAOYSA-N 0 0 377.448 3.182 10 30 GGEERN CC(=O)C/N=C1\N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)S1 ZINC000020161516 570245748 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CN1C(=O)CS/C1=N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000004334688 570368656 /nfs/dbraw/zinc/36/86/56/570368656.db2.gz WXDJYQKKWSFIIV-YPDAGFIYSA-N 0 0 375.457 3.434 10 30 GGEERN CN(C)/C=C(/C(=O)c1ccc(C(F)(F)F)cc1)c1nnnn1-c1ccccc1 ZINC000004342766 570369816 /nfs/dbraw/zinc/36/98/16/570369816.db2.gz BTVKUBZFIAFZNZ-VBKFSLOCSA-N 0 0 387.365 3.467 10 30 GGEERN CC[C@H](C)c1ccccc1NC(=O)CN(c1cccc(C#N)c1)S(C)(=O)=O ZINC000024971540 570410496 /nfs/dbraw/zinc/41/04/96/570410496.db2.gz CHXNDGKZYKYRBF-HNNXBMFYSA-N 0 0 385.489 3.476 10 30 GGEERN O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1/N=C/c1cccc([N+](=O)[O-])c1 ZINC000001950928 570451118 /nfs/dbraw/zinc/45/11/18/570451118.db2.gz ZFMNJFFIMKZFRK-KEBDBYFISA-N 0 0 390.311 3.286 10 30 GGEERN COc1ccc([C@H]2c3c(=O)[nH]c(SC)nc3NC3=C2C(=O)CCC3)cc1OC ZINC000006009366 570464302 /nfs/dbraw/zinc/46/43/02/570464302.db2.gz JFOKUZSJUPUSLV-OAHLLOKOSA-N 0 0 399.472 3.074 10 30 GGEERN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(F)c(NC(=O)C2CC2)c1 ZINC000029174002 570470058 /nfs/dbraw/zinc/47/00/58/570470058.db2.gz WRHKKIGXXBEZQS-UHFFFAOYSA-N 0 0 397.454 3.473 10 30 GGEERN Cc1ccc(C=NN(C)c2nc(N3CCCCC3)nc(N3CCCCC3)n2)o1 ZINC000252615334 570478511 /nfs/dbraw/zinc/47/85/11/570478511.db2.gz JRGDSLHPYVEBSD-UHFFFAOYSA-N 0 0 383.500 3.224 10 30 GGEERN COc1ccc(C)cc1C(=O)CCC(=O)OCC(=O)Nc1cccc(C#N)c1 ZINC000006588946 570486721 /nfs/dbraw/zinc/48/67/21/570486721.db2.gz XZQJUQPAVCZJRQ-UHFFFAOYSA-N 0 0 380.400 3.020 10 30 GGEERN CC(C)C[C@@H](C(=O)OCc1ccccc1C#N)N1C(=O)c2ccccc2C1=O ZINC000006602185 570492286 /nfs/dbraw/zinc/49/22/86/570492286.db2.gz YNUPPOZKUHMXPM-IBGZPJMESA-N 0 0 376.412 3.312 10 30 GGEERN COc1ccccc1C(=O)On1c(=O)c2ccccc2nc1-c1ccccc1F ZINC000005199679 570500731 /nfs/dbraw/zinc/50/07/31/570500731.db2.gz FFSMBNFHUXSPJV-UHFFFAOYSA-N 0 0 390.370 3.480 10 30 GGEERN Cc1cc(C)c(C#N)c(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)n1 ZINC000006650409 570516974 /nfs/dbraw/zinc/51/69/74/570516974.db2.gz PTNFHQJEBFZLMW-AWEZNQCLSA-N 0 0 380.473 3.426 10 30 GGEERN CCOc1cc(C#N)ccc1OCC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000006653690 570520699 /nfs/dbraw/zinc/52/06/99/570520699.db2.gz APCZSSHPRPHIFQ-CQSZACIVSA-N 0 0 379.416 3.100 10 30 GGEERN CCCCN1C(=O)c2ccc(C(=O)Nc3nn(C(C)(C)C)cc3C#N)cc2C1=O ZINC000072308004 570526211 /nfs/dbraw/zinc/52/62/11/570526211.db2.gz RTFSKIREKFHKSX-UHFFFAOYSA-N 0 0 393.447 3.158 10 30 GGEERN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC(OCc2cccc3ccccc32)C1 ZINC000072308928 570529244 /nfs/dbraw/zinc/52/92/44/570529244.db2.gz VUUWCSVLUNXROH-HXOBKFHXSA-N 0 0 379.504 3.484 10 30 GGEERN CCOC(=O)NC(=O)CSc1cc(CC)c(C#N)c2nc3ccccc3n21 ZINC000005312207 570552368 /nfs/dbraw/zinc/55/23/68/570552368.db2.gz XSSUCNQOPGNGEN-UHFFFAOYSA-N 0 0 382.445 3.286 10 30 GGEERN Cc1ccc(-c2csc3ncn(CC(=O)NC4(C#N)CCCC4)c(=O)c23)cc1 ZINC000005318214 570552656 /nfs/dbraw/zinc/55/26/56/570552656.db2.gz RSKFMFVACVSTTI-UHFFFAOYSA-N 0 0 392.484 3.386 10 30 GGEERN COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000006732348 570556780 /nfs/dbraw/zinc/55/67/80/570556780.db2.gz UGOKRZZUXDZGHQ-FQEVSTJZSA-N 0 0 394.471 3.286 10 30 GGEERN Cc1ccccc1-n1nnnc1SCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000005352236 570559308 /nfs/dbraw/zinc/55/93/08/570559308.db2.gz DQFBHWKJAHYOBC-UHFFFAOYSA-N 0 0 396.501 3.123 10 30 GGEERN O=[N+]([O-])c1ccc(C=NNc2nnc(SCc3ccc([N+](=O)[O-])cc3)[nH]2)cc1 ZINC000009695122 570560505 /nfs/dbraw/zinc/56/05/05/570560505.db2.gz CLRWPFICWMHPPA-RQZCQDPDSA-N 0 0 399.392 3.359 10 30 GGEERN CCN1C[C@@H](CN(C)CC(=O)Nc2ccc(C#N)c(Cl)c2)Oc2ccccc21 ZINC000024979929 570640778 /nfs/dbraw/zinc/64/07/78/570640778.db2.gz ZWUJKPFDJAFHTK-QGZVFWFLSA-N 0 0 398.894 3.369 10 30 GGEERN CC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@]2(S1)SC(C(C)=O)=C(C)N2C ZINC000006849046 570647261 /nfs/dbraw/zinc/64/72/61/570647261.db2.gz XUPWFAFQSQQBHW-INIZCTEOSA-N 0 0 392.462 3.161 10 30 GGEERN CC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)Nc3ccc(C#N)cc3)cc21 ZINC000065021282 570648094 /nfs/dbraw/zinc/64/80/94/570648094.db2.gz BLIDHKZWXKDQCO-UHFFFAOYSA-N 0 0 395.484 3.393 10 30 GGEERN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2sccc2C#N)cc1 ZINC000006881577 570676504 /nfs/dbraw/zinc/67/65/04/570676504.db2.gz WVIPAUXWFSJSTR-INIZCTEOSA-N 0 0 389.502 3.110 10 30 GGEERN COc1cc(C#N)ccc1OCCN1CCC[C@H]1c1nc2c(n1C)CCCC2 ZINC000275896080 570700522 /nfs/dbraw/zinc/70/05/22/570700522.db2.gz IBARXCQGGSXDSS-IBGZPJMESA-N 0 0 380.492 3.395 10 30 GGEERN C#CCOc1ccc(/C=C2/SC(=N)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000004388270 570732254 /nfs/dbraw/zinc/73/22/54/570732254.db2.gz QEWAIIALPZXNAZ-PKHMCHNDSA-N 0 0 378.409 3.483 10 30 GGEERN Cc1cccc(-c2nnc(SCC(=O)N(CCC#N)Cc3ccco3)n2C)c1 ZINC000012982452 570736421 /nfs/dbraw/zinc/73/64/21/570736421.db2.gz NAVWHHVPBHEOII-UHFFFAOYSA-N 0 0 395.488 3.418 10 30 GGEERN CC(C)(C)N=C1Nc2ccccc2N[C@@]12CCCN(S(=O)(=O)C1CC1)C2 ZINC000065260154 570762361 /nfs/dbraw/zinc/76/23/61/570762361.db2.gz BZGIGTACOLLRPA-LJQANCHMSA-N 0 0 376.526 3.048 10 30 GGEERN C=CCN1CCN(C(=O)c2c(C)oc3c2CN(Cc2ccc(F)cc2)CC3)CC1 ZINC000065291969 570784368 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/nfs/dbraw/zinc/86/01/93/570860193.db2.gz RCMRSQJMOICNDH-GOSISDBHSA-N 0 0 380.473 3.288 10 30 GGEERN C[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)c1nc2ccccc2n1C(F)F ZINC000032863485 570861592 /nfs/dbraw/zinc/86/15/92/570861592.db2.gz AIOYCTOMCBKAGW-LBPRGKRZSA-N 0 0 390.415 3.385 10 30 GGEERN C=CCn1c(SCc2nc(N)c3ccccc3n2)nc2ccsc2c1=O ZINC000012646159 570934408 /nfs/dbraw/zinc/93/44/08/570934408.db2.gz KQSIIGWIHDDXHP-UHFFFAOYSA-N 0 0 381.486 3.462 10 30 GGEERN N#Cc1cccc(NC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000054531456 570967786 /nfs/dbraw/zinc/96/77/86/570967786.db2.gz DPGNZCNOSXKMET-UHFFFAOYSA-N 0 0 388.393 3.338 10 30 GGEERN C#CCOc1ccc(CCNC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1 ZINC000058008782 570983760 /nfs/dbraw/zinc/98/37/60/570983760.db2.gz CMCWWAHSQVMJDS-UHFFFAOYSA-N 0 0 376.412 3.478 10 30 GGEERN C=CCOc1ccc(/C=C/C(=O)NCC[C@@H](CC)N2CCCC2=O)cc1OC ZINC000058341633 570984142 /nfs/dbraw/zinc/98/41/42/570984142.db2.gz UWMCKQDXOXSAAQ-SXAWMYDMSA-N 0 0 386.492 3.181 10 30 GGEERN CCN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc2c(c1)OCO2 ZINC000011351554 570984425 /nfs/dbraw/zinc/98/44/25/570984425.db2.gz FAAUIVKJDINQKP-UHFFFAOYSA-N 0 0 383.473 3.298 10 30 GGEERN CC(C)CCNC(=O)CSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N ZINC000012740567 570985183 /nfs/dbraw/zinc/98/51/83/570985183.db2.gz XELBCFJZOSPQMW-UHFFFAOYSA-N 0 0 397.504 3.042 10 30 GGEERN C=CCN(C(=O)Cn1cnc2c3cccnc3sc2c1=O)c1ccccc1 ZINC000045895556 570999032 /nfs/dbraw/zinc/99/90/32/570999032.db2.gz DPEOREJPUXYLEB-UHFFFAOYSA-N 0 0 376.441 3.225 10 30 GGEERN COc1cc([N+](=O)[O-])ccc1N=NCCCCN1C(=O)c2ccccc2C1=O ZINC000252598231 571004197 /nfs/dbraw/zinc/00/41/97/571004197.db2.gz CYNAWMVSMWTOBT-UHFFFAOYSA-N 0 0 382.376 3.078 10 30 GGEERN COc1ccccc1N=C1S[C@@H](C(=O)Nc2ccccc2F)CC(=O)N1C ZINC000252601229 571005740 /nfs/dbraw/zinc/00/57/40/571005740.db2.gz DYFUJIABGIRPTN-MRXNPFEDSA-N 0 0 387.436 3.424 10 30 GGEERN COC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000007623227 571007527 /nfs/dbraw/zinc/00/75/27/571007527.db2.gz 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ZINC000015669478 571040421 /nfs/dbraw/zinc/04/04/21/571040421.db2.gz MPCABSKLUKWCOR-UHFFFAOYSA-N 0 0 385.441 3.106 10 30 GGEERN Cc1cc(Br)cc2c1CN(C(=O)CNc1ccc(C#N)cn1)CC2 ZINC000537178893 650810372 /nfs/dbraw/zinc/81/03/72/650810372.db2.gz GGDNAUZALBZIIC-UHFFFAOYSA-N 0 0 385.265 3.021 10 30 GGEERN C=CCOCCNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000611556555 651729401 /nfs/dbraw/zinc/72/94/01/651729401.db2.gz DIISPGIBBOEGHY-UHFFFAOYSA-N 0 0 375.479 3.026 10 30 GGEERN C=CCOc1ccccc1/C=c1\sc2nc(-c3ccc(C)cc3)nn2c1=O ZINC000002533493 1398313118 /nfs/dbraw/zinc/31/31/18/1398313118.db2.gz WOWCHVBEAFABOZ-AQTBWJFISA-N 0 0 375.453 3.239 10 30 GGEERN NC1=C(c2nc3ccccc3s2)C(=O)CN1NC(=O)Nc1ccc(Cl)cc1 ZINC000003222698 1398328854 /nfs/dbraw/zinc/32/88/54/1398328854.db2.gz PRHAQWBHOQUZLG-UHFFFAOYSA-N 0 0 399.863 3.198 10 30 GGEERN NC1=C(c2nc(-c3ccc(F)cc3)cs2)C(=O)CN1c1ccc2c(c1)OCO2 ZINC000003235223 1398329292 /nfs/dbraw/zinc/32/92/92/1398329292.db2.gz RQQKPGYRZRWNQY-UHFFFAOYSA-N 0 0 395.415 3.395 10 30 GGEERN N#Cc1ccc(C(=O)NCCN2C(=O)S/C(=C\c3cccs3)C2=O)cc1 ZINC000003259791 1398330533 /nfs/dbraw/zinc/33/05/33/1398330533.db2.gz FNAOSTAOEREOHM-GDNBJRDFSA-N 0 0 383.454 3.086 10 30 GGEERN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)c1ccc2c(c1)OCCO2 ZINC000003314172 1398334583 /nfs/dbraw/zinc/33/45/83/1398334583.db2.gz LDQYWNOHPYBIRE-FYJGNVAPSA-N 0 0 393.439 3.495 10 30 GGEERN N#Cc1ccc(COC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 ZINC000003344233 1398335595 /nfs/dbraw/zinc/33/55/95/1398335595.db2.gz XFUBQAAZBMZYNF-FQEVSTJZSA-N 0 0 386.407 3.462 10 30 GGEERN Cc1cc(C)n2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)nc2n1 ZINC000003392577 1398341271 /nfs/dbraw/zinc/34/12/71/1398341271.db2.gz RASGVUHXUKAVIL-UHFFFAOYSA-N 0 0 398.517 3.284 10 30 GGEERN COc1ccc(CN(C)CC(=O)Nc2sc3c(c2C#N)CCC3)cc1OC ZINC000003585724 1398371197 /nfs/dbraw/zinc/37/11/97/1398371197.db2.gz STZQJNATKBWMBH-UHFFFAOYSA-N 0 0 385.489 3.196 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000007989243 1398788155 /nfs/dbraw/zinc/78/81/55/1398788155.db2.gz KQVDEXFSRBMXMG-GOSISDBHSA-N 0 0 384.457 3.245 10 30 GGEERN Cc1c(C)n(C[C@H]2CCCO2)c(NC(=O)CN2CCc3ccccc32)c1C#N ZINC000008194198 1398812777 /nfs/dbraw/zinc/81/27/77/1398812777.db2.gz RSKVJRSDYONXBT-GOSISDBHSA-N 0 0 378.476 3.157 10 30 GGEERN C[C@H](C(=O)Nc1cccc(C#N)c1)n1nnc(-c2cccc(C(F)(F)F)c2)n1 ZINC000008221144 1398814495 /nfs/dbraw/zinc/81/44/95/1398814495.db2.gz AXXJDCGUZRVPFM-LLVKDONJSA-N 0 0 386.337 3.430 10 30 GGEERN N#Cc1ccccc1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008310305 1398822258 /nfs/dbraw/zinc/82/22/58/1398822258.db2.gz MRWWLQUHKSXOSR-IBGZPJMESA-N 0 0 377.444 3.495 10 30 GGEERN Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1ccccc1C#N ZINC000008519646 1398836699 /nfs/dbraw/zinc/83/66/99/1398836699.db2.gz NVMXZICRQDTJMZ-UHFFFAOYSA-N 0 0 380.473 3.182 10 30 GGEERN CCCCCCCCNC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(C)=O ZINC000008680271 1398843710 /nfs/dbraw/zinc/84/37/10/1398843710.db2.gz FISULKXOAAGMKB-FQEVSTJZSA-N 0 0 390.524 3.491 10 30 GGEERN CCCCCCCCNC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(C)=O ZINC000008753166 1398845683 /nfs/dbraw/zinc/84/56/83/1398845683.db2.gz FISULKXOAAGMKB-HXUWFJFHSA-N 0 0 390.524 3.491 10 30 GGEERN Cc1ccc(CN(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C[C@@H]2CCCO2)o1 ZINC000008850638 1398847617 /nfs/dbraw/zinc/84/76/17/1398847617.db2.gz DNZMMOYTLMWVEJ-KRWDZBQOSA-N 0 0 384.480 3.128 10 30 GGEERN CC(=O)N1CCC(C(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000008987932 1398851249 /nfs/dbraw/zinc/85/12/49/1398851249.db2.gz CCWLQVFDQONDCU-UHFFFAOYSA-N 0 0 385.386 3.010 10 30 GGEERN C=CCn1c(=O)c2sccc2nc1SCC(=O)NCc1ccccc1F ZINC000009691193 1398863878 /nfs/dbraw/zinc/86/38/78/1398863878.db2.gz UFSXCLJBBCIYGW-UHFFFAOYSA-N 0 0 389.477 3.192 10 30 GGEERN CC(C)NC(=O)c1cccc2c1CCCN2CC(=O)Nc1sccc1C#N ZINC000010132433 1398876681 /nfs/dbraw/zinc/87/66/81/1398876681.db2.gz OGVGQHOSLGHZOA-UHFFFAOYSA-N 0 0 382.489 3.149 10 30 GGEERN COc1ccc(C(=O)C=CNc2c(C)n(C)n(-c3ccccc3)c2=O)c(OC)c1 ZINC000013683607 1399081086 /nfs/dbraw/zinc/08/10/86/1399081086.db2.gz FJRPLFUOPHTWCQ-SEYXRHQNSA-N 0 0 393.443 3.310 10 30 GGEERN COc1ccc(CN2CCN(Cc3ccc(C#N)cc3F)CC2)c(OC)c1OC ZINC000029631861 1400326321 /nfs/dbraw/zinc/32/63/21/1400326321.db2.gz RKJITXOTLQCLBT-UHFFFAOYSA-N 0 0 399.466 3.041 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NCc2ccc(OCc3ccccn3)cc2)cc1 ZINC000056117759 1407211603 /nfs/dbraw/zinc/21/16/03/1407211603.db2.gz BSYRARJWALTUFC-UHFFFAOYSA-N 0 0 379.441 3.011 10 30 GGEERN N#CC1(NS(=O)(=O)c2ccc(Br)cc2F)CCCCCC1 ZINC000161839006 1424776347 /nfs/dbraw/zinc/77/63/47/1424776347.db2.gz WIJDBTBJSJIFLS-UHFFFAOYSA-N 0 0 375.263 3.483 10 30 GGEERN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC)ccc1Cl ZINC000045163595 1404067101 /nfs/dbraw/zinc/06/71/01/1404067101.db2.gz FGWRWCGHUVLEAA-UHFFFAOYSA-N 0 0 382.844 3.220 10 30 GGEERN N#Cc1ccc(N2CC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000046551560 1404475063 /nfs/dbraw/zinc/47/50/63/1404475063.db2.gz AFCIBDVYTUAUQM-FQEVSTJZSA-N 0 0 380.879 3.139 10 30 GGEERN COc1cc(C#N)ccc1OCCCC(=O)NC1(c2noc(C)n2)CCCC1 ZINC000049635440 1405389011 /nfs/dbraw/zinc/38/90/11/1405389011.db2.gz HEYBWMYXROXDOD-UHFFFAOYSA-N 0 0 384.436 3.003 10 30 GGEERN C=CCc1cc(CNC(=O)c2cc(NC(C)=O)ccc2O)cc(OC)c1OC ZINC000051467736 1405815692 /nfs/dbraw/zinc/81/56/92/1405815692.db2.gz DITUDXCVPIVKJS-UHFFFAOYSA-N 0 0 384.432 3.026 10 30 GGEERN C=CCN1CCN(C(=O)c2c(C)oc3c2CN(Cc2ccc(C)cc2)CC3)CC1 ZINC000065289695 1408659690 /nfs/dbraw/zinc/65/96/90/1408659690.db2.gz NFEDTSDBWJXWBF-UHFFFAOYSA-N 0 0 393.531 3.399 10 30 GGEERN N#CCOc1ccc(CNC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000069317051 1409612463 /nfs/dbraw/zinc/61/24/63/1409612463.db2.gz GUGMWZYQFFQHDN-UHFFFAOYSA-N 0 0 384.867 3.274 10 30 GGEERN Cc1cc(Br)c(NS(=O)(=O)[C@H](C)C#N)c(Br)c1 ZINC000091416376 1410073238 /nfs/dbraw/zinc/07/32/38/1410073238.db2.gz QUFFEUYZUMNPHH-SSDOTTSWSA-N 0 0 382.077 3.174 10 30 GGEERN C=CCCC(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccc(OC)cc2)C1 ZINC000095998777 1410320260 /nfs/dbraw/zinc/32/02/60/1410320260.db2.gz IDTPXXYIZZBREQ-MRXNPFEDSA-N 0 0 382.464 3.343 10 30 GGEERN COc1ccc(-c2nc([C@H]3CN(C(=O)C4(C#N)CCCCC4)CCO3)no2)cc1 ZINC000096000898 1410321085 /nfs/dbraw/zinc/32/10/85/1410321085.db2.gz VENPDNDRZIGPPM-QGZVFWFLSA-N 0 0 396.447 3.119 10 30 GGEERN O[C@]1(c2ccccc2F)CSC(=Nc2cccnc2)N1CCCn1ccnc1 ZINC000096102340 1410323259 /nfs/dbraw/zinc/32/32/59/1410323259.db2.gz FDVGSKSEGWLXPE-FQEVSTJZSA-N 0 0 397.479 3.389 10 30 GGEERN CCCn1c(=O)[nH]nc1S[C@@H](C)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000096931246 1410338036 /nfs/dbraw/zinc/33/80/36/1410338036.db2.gz CFFSYUQRXICWAP-IGWPVBGESA-N 0 0 386.521 3.343 10 30 GGEERN COc1ccccc1OCCN(C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000097494327 1410371857 /nfs/dbraw/zinc/37/18/57/1410371857.db2.gz DFLFZCFGMAGRMK-WUZYXKQASA-N 0 0 387.524 3.325 10 30 GGEERN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N\[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000102825622 1410786618 /nfs/dbraw/zinc/78/66/18/1410786618.db2.gz SVBCBCVIHQORQP-UUMRFZBWSA-N 0 0 379.485 3.454 10 30 GGEERN O=C(C=C(Cl)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C(F)(F)F ZINC000105896208 1411129273 /nfs/dbraw/zinc/12/92/73/1411129273.db2.gz BDCWJQRRSDYLCV-GRRFOWRYSA-N 0 0 380.769 3.000 10 30 GGEERN N#CCCSc1ccccc1NC(=O)C(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000108612128 1411552464 /nfs/dbraw/zinc/55/24/64/1411552464.db2.gz BHNKVNZKIFSENM-RDJZCZTQSA-N 0 0 383.448 3.442 10 30 GGEERN CCOC(=O)CCN(Cc1cccnc1)C(=O)CSCc1ccc(C#N)cc1 ZINC000109338477 1411743862 /nfs/dbraw/zinc/74/38/62/1411743862.db2.gz FYLDDZHDSBNRMJ-UHFFFAOYSA-N 0 0 397.500 3.168 10 30 GGEERN COc1ccc(CNC(=O)[C@H](C#N)C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1 ZINC000116593303 1412885051 /nfs/dbraw/zinc/88/50/51/1412885051.db2.gz AZUHPAUZTALBFF-ARFHVFGLSA-N 0 0 384.382 3.102 10 30 GGEERN CCCN(Cc1ccc(C#N)cc1)Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000116792310 1412923336 /nfs/dbraw/zinc/92/33/36/1412923336.db2.gz GOKRNGGEAHEVIR-UHFFFAOYSA-N 0 0 398.470 3.393 10 30 GGEERN O=C(CCNC(=O)C1N=CC=CC1=O)N(Cc1ccccc1)c1ccccc1 ZINC000118879911 1413257930 /nfs/dbraw/zinc/25/79/30/1413257930.db2.gz HWILSRHOYTYQKD-DQRAZIAOSA-N 0 0 375.428 3.136 10 30 GGEERN CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)[C@@H](C#N)C1 ZINC000121860881 1414281842 /nfs/dbraw/zinc/28/18/42/1414281842.db2.gz DZNMHPXIQMDQSV-GVDBMIGSSA-N 0 0 389.883 3.415 10 30 GGEERN CCc1nc(NC(=O)CN2CCCN(c3ccccc3C#N)CC2)sc1C ZINC000123930352 1414851731 /nfs/dbraw/zinc/85/17/31/1414851731.db2.gz FWUWWVFVXUQREE-UHFFFAOYSA-N 0 0 383.521 3.036 10 30 GGEERN C[C@H](Sc1nnc(-c2ccccn2)n1C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000124671766 1415018176 /nfs/dbraw/zinc/01/81/76/1415018176.db2.gz BKWVTQWVFDNMGG-CHWWFWEZSA-N 0 0 398.536 3.289 10 30 GGEERN C[C@@H]1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C[C@H]1n1ccnc1 ZINC000126002134 1415333844 /nfs/dbraw/zinc/33/38/44/1415333844.db2.gz CMJOACQXCBLWIK-UYAOXDASSA-N 0 0 393.491 3.020 10 30 GGEERN C=CCN(CC(=O)OCC)Cc1nnc(-c2ccccc2Br)o1 ZINC000126134073 1415366735 /nfs/dbraw/zinc/36/67/35/1415366735.db2.gz GDNCLHQQBLTHLM-UHFFFAOYSA-N 0 0 380.242 3.050 10 30 GGEERN N#Cc1ccc(Cn2cnc(NC(=O)[C@H]3SCCc4sccc43)n2)cc1 ZINC000177998056 1428923619 /nfs/dbraw/zinc/92/36/19/1428923619.db2.gz GNXHFDWAUXNSOC-INIZCTEOSA-N 0 0 381.486 3.229 10 30 GGEERN COc1ccccc1[C@@H](C)CC(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000177999960 1428925781 /nfs/dbraw/zinc/92/57/81/1428925781.db2.gz BTWKFQHXHBPDEL-HNNXBMFYSA-N 0 0 375.432 3.339 10 30 GGEERN N#Cc1ccc(Cn2cnc(NC(=O)Cc3coc(-c4cccs4)n3)n2)cc1 ZINC000178002714 1428927656 /nfs/dbraw/zinc/92/76/56/1428927656.db2.gz AAFVULKOIYRAPU-UHFFFAOYSA-N 0 0 390.428 3.096 10 30 GGEERN CCOC(=O)C[C@H](NC(=O)Cc1cccc(OCC#N)c1)c1ccccc1C ZINC000126849501 1415583641 /nfs/dbraw/zinc/58/36/41/1415583641.db2.gz DVXMFRFCGXPGIW-FQEVSTJZSA-N 0 0 380.444 3.251 10 30 GGEERN C[C@H](Sc1nncn1CC(F)(F)F)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000127782019 1415849323 /nfs/dbraw/zinc/84/93/23/1415849323.db2.gz FZKHGLAGBCPLDP-AVERBVTBSA-N 0 0 389.447 3.252 10 30 GGEERN CCCCCCCCCNC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O ZINC000128011484 1415892761 /nfs/dbraw/zinc/89/27/61/1415892761.db2.gz FHSODAJCKWHRNM-QFIPXVFZSA-N 0 0 385.508 3.247 10 30 GGEERN COc1ccc(/C=C/C(=O)c2c(F)cccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000131680608 1416595679 /nfs/dbraw/zinc/59/56/79/1416595679.db2.gz BZTIOPQVQHWEBU-FNORWQNLSA-N 0 0 386.379 3.475 10 30 GGEERN CCn1c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)nc2cc(C#N)ccc21 ZINC000132149926 1416708027 /nfs/dbraw/zinc/70/80/27/1416708027.db2.gz BAXZITXBERCINW-UHFFFAOYSA-N 0 0 388.387 3.499 10 30 GGEERN COc1cc(C#N)ccc1CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000179653534 1429490902 /nfs/dbraw/zinc/49/09/02/1429490902.db2.gz ROKBQIWSKVAZSB-UHFFFAOYSA-N 0 0 376.382 3.303 10 30 GGEERN C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000154940422 1423086560 /nfs/dbraw/zinc/08/65/60/1423086560.db2.gz BNASUVNSHXIXDY-BZROSYFNSA-N 0 0 396.491 3.086 10 30 GGEERN C[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)c1ccc(-n2cccn2)cc1 ZINC000156057762 1423654294 /nfs/dbraw/zinc/65/42/94/1423654294.db2.gz CLWBZZUNQQPBNK-ZDUSSCGKSA-N 0 0 393.834 3.213 10 30 GGEERN COc1ccc(CN2CCN(Cc3ccc(F)c(C#N)c3)CC2)c(OC)c1OC ZINC000160586972 1424616202 /nfs/dbraw/zinc/61/62/02/1424616202.db2.gz NXDXGQWMWZSJQE-UHFFFAOYSA-N 0 0 399.466 3.041 10 30 GGEERN C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cnn(C(C)(C)C(=O)OCC)c1 ZINC000164604260 1425128090 /nfs/dbraw/zinc/12/80/90/1425128090.db2.gz FRZGZERXJZZWJC-UHFFFAOYSA-N 0 0 395.463 3.273 10 30 GGEERN C[C@H](Sc1n[nH]c(-c2cccnc2)n1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000171289779 1425595956 /nfs/dbraw/zinc/59/59/56/1425595956.db2.gz DZXSMTFYKPXTOB-JTQLQIEISA-N 0 0 396.501 3.408 10 30 GGEERN C[C@@H](Sc1n[nH]c(-c2cccnc2)n1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000171289783 1425596026 /nfs/dbraw/zinc/59/60/26/1425596026.db2.gz DZXSMTFYKPXTOB-SNVBAGLBSA-N 0 0 396.501 3.408 10 30 GGEERN CC(C)Cn1ccc2cc(NC(=O)CCNC(=O)C3N=CC=CC3=O)ccc21 ZINC000172054849 1425884187 /nfs/dbraw/zinc/88/41/87/1425884187.db2.gz DMAAZDBMBSFTLN-MRCUWXFGSA-N 0 0 380.448 3.152 10 30 GGEERN N#Cc1c(F)cccc1N1CCN(C(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)CC1 ZINC000172281789 1425978581 /nfs/dbraw/zinc/97/85/81/1425978581.db2.gz GYFDHALETNUENM-KBPBESRZSA-N 0 0 385.389 3.428 10 30 GGEERN N#Cc1c(F)cccc1N1CCN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)CC1 ZINC000172281784 1425978614 /nfs/dbraw/zinc/97/86/14/1425978614.db2.gz GYFDHALETNUENM-UONOGXRCSA-N 0 0 385.389 3.428 10 30 GGEERN C[C@H](c1ccccc1)N(CC1CCC1)C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000172624279 1426117203 /nfs/dbraw/zinc/11/72/03/1426117203.db2.gz BNASUVNSHXIXDY-MODMUFLJSA-N 0 0 396.491 3.086 10 30 GGEERN Cc1nc(C2(NCC(=O)N(CCC#N)c3cccc(Cl)c3)CCCC2)no1 ZINC000174234125 1427062940 /nfs/dbraw/zinc/06/29/40/1427062940.db2.gz FAFOHHACANNGDG-UHFFFAOYSA-N 0 0 387.871 3.337 10 30 GGEERN CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)n1 ZINC000181334397 1430275849 /nfs/dbraw/zinc/27/58/49/1430275849.db2.gz BWEXOHAUXFQRHS-SNVBAGLBSA-N 0 0 394.262 3.458 10 30 GGEERN C[C@@H](N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1nc(C(C)(C)C)no1 ZINC000185143264 1431071698 /nfs/dbraw/zinc/07/16/98/1431071698.db2.gz CIGMZPANXROQAX-WDEREUQCSA-N 0 0 387.509 3.467 10 30 GGEERN C[C@@H](N[C@H](C)c1nc(C(C)(C)C)no1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000185143304 1431071719 /nfs/dbraw/zinc/07/17/19/1431071719.db2.gz CIGMZPANXROQAX-GHMZBOCLSA-N 0 0 387.509 3.467 10 30 GGEERN N#CCCCOc1cccnc1NC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000186441669 1431420736 /nfs/dbraw/zinc/42/07/36/1431420736.db2.gz CKJONHPFNKNATK-UHFFFAOYSA-N 0 0 383.427 3.257 10 30 GGEERN C[C@H](Sc1nnc2n1CCCCC2)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000192463010 1432847710 /nfs/dbraw/zinc/84/77/10/1432847710.db2.gz IAEFGQUSWYRDBU-HVEKOLDVSA-N 0 0 375.542 3.416 10 30 GGEERN N#C[C@@H](NC(=O)[C@@H]1CCCCC(=O)N1)c1ccc(OCc2ccccc2)cc1 ZINC000194009870 1433100438 /nfs/dbraw/zinc/10/04/38/1433100438.db2.gz GGPMJDHHOKAUAO-VQTJNVASSA-N 0 0 377.444 3.005 10 30 GGEERN N#Cc1ccc(NC(=O)N2CCOC[C@@H]2c2nc(-c3cccs3)no2)cc1 ZINC000225837276 1433368294 /nfs/dbraw/zinc/36/82/94/1433368294.db2.gz VTGQYZPNYNJYPZ-CQSZACIVSA-N 0 0 381.417 3.275 10 30 GGEERN N#Cc1ccc(NC(=O)N2CCOC[C@H]2c2nc(-c3cccs3)no2)cc1 ZINC000225837299 1433368351 /nfs/dbraw/zinc/36/83/51/1433368351.db2.gz VTGQYZPNYNJYPZ-AWEZNQCLSA-N 0 0 381.417 3.275 10 30 GGEERN N#Cc1ccc(N2CCN(C(=O)Cc3ccc(Br)cc3)CC2)cc1 ZINC000242701825 1433447106 /nfs/dbraw/zinc/44/71/06/1433447106.db2.gz CZBKGHFJUGFWJO-UHFFFAOYSA-N 0 0 384.277 3.212 10 30 GGEERN CCOC(=O)c1ccc(N2CCN(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000243102485 1433448544 /nfs/dbraw/zinc/44/85/44/1433448544.db2.gz JCBDZXQUHBOABI-UHFFFAOYSA-N 0 0 378.432 3.089 10 30 GGEERN CCOC(=O)c1ccc(N2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)cc1 ZINC000243174142 1433448992 /nfs/dbraw/zinc/44/89/92/1433448992.db2.gz JTWNIFPFMPBHDV-UHFFFAOYSA-N 0 0 378.432 3.089 10 30 GGEERN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)c3)CC2)cc1 ZINC000243535202 1433449997 /nfs/dbraw/zinc/44/99/97/1433449997.db2.gz OFRVEKNJGNMNHY-UHFFFAOYSA-N 0 0 383.517 3.367 10 30 GGEERN CCOC(=O)c1ccc(NC(=O)N2CCN(c3cccc(C#N)c3)CC2)cc1 ZINC000244208284 1433452056 /nfs/dbraw/zinc/45/20/56/1433452056.db2.gz VSRFCHLTACBOMV-UHFFFAOYSA-N 0 0 378.432 3.089 10 30 GGEERN N#C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2F)CCN1Cc1ccccc1 ZINC000246673749 1433648219 /nfs/dbraw/zinc/64/82/19/1433648219.db2.gz AVEPYAQOVMNSPU-NEWSRXKRSA-N 0 0 381.426 3.305 10 30 GGEERN N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)C2=O)cc1 ZINC000248702241 1433816038 /nfs/dbraw/zinc/81/60/38/1433816038.db2.gz FSJORMWPPSDCRS-GGPKGHCWSA-N 0 0 393.874 3.232 10 30 GGEERN N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3C[C@H]3c3ccccc3Cl)C2=O)cc1 ZINC000248702238 1433816071 /nfs/dbraw/zinc/81/60/71/1433816071.db2.gz FSJORMWPPSDCRS-BJLQDIEVSA-N 0 0 393.874 3.232 10 30 GGEERN COC(=O)c1ccc(N=C2S/C(=C/c3ccc(OC)c(O)c3)C(=O)N2C)cc1 ZINC000252626977 1433863515 /nfs/dbraw/zinc/86/35/15/1433863515.db2.gz RJMIYRCIXVPBTP-UQZIKHPZSA-N 0 0 398.440 3.421 10 30 GGEERN CN(N=Cc1cccs1)c1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000252625430 1433863523 /nfs/dbraw/zinc/86/35/23/1433863523.db2.gz QJRMKLQCYQFPNI-UHFFFAOYSA-N 0 0 385.541 3.384 10 30 GGEERN COC(=O)c1ccc(N=C2S/C(=C/c3ccc4c(c3)OCO4)C(=O)N2C)cc1 ZINC000252626692 1433863528 /nfs/dbraw/zinc/86/35/28/1433863528.db2.gz RDSKESDAKIAMHQ-PMCKANNTSA-N 0 0 396.424 3.436 10 30 GGEERN COc1ccc([N+](=O)[O-])cc1C=N[N-]c1nc2nc3c(cccc3C)c-2[nH][nH+]1 ZINC000252632387 1433863689 /nfs/dbraw/zinc/86/36/89/1433863689.db2.gz VSLOONXXECZZBX-UHFFFAOYSA-N 0 0 377.364 3.177 10 30 GGEERN Cc1c(N=Cc2c(C#N)c(=O)oc3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000252639375 1433863702 /nfs/dbraw/zinc/86/37/02/1433863702.db2.gz YKILRDUDAWMEGV-UHFFFAOYSA-N 0 0 384.395 3.213 10 30 GGEERN C(=CN=Nc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)Cc1ccco1 ZINC000252642200 1433863704 /nfs/dbraw/zinc/86/37/04/1433863704.db2.gz ZJWIWKFXVUPVGK-USBNRVEKSA-N 0 0 391.435 3.156 10 30 GGEERN COc1ccccc1N=C1S[C@@H](C(=O)Nc2ccccc2OC)CC(=O)N1C ZINC000252639993 1433863715 /nfs/dbraw/zinc/86/37/15/1433863715.db2.gz YPDVQKMOQZIJMI-QGZVFWFLSA-N 0 0 399.472 3.294 10 30 GGEERN C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cccc(C#Cc3ccccc3)c1)CS2 ZINC000253590462 1433869848 /nfs/dbraw/zinc/86/98/48/1433869848.db2.gz GQLDJJSUUQWGTB-UGKGYDQZSA-N 0 0 376.481 3.479 10 30 GGEERN O=C(CON=Cc1ccc2c(c1)OCO2)Nc1cccc(Br)c1 ZINC000254376183 1433871061 /nfs/dbraw/zinc/87/10/61/1433871061.db2.gz QMWJWOTXYXRCMG-UHFFFAOYSA-N 0 0 377.194 3.167 10 30 GGEERN Cc1ccccc1N=C1SCCN1C(=O)c1nn(C)c(=O)c2ccccc21 ZINC000254440741 1433871137 /nfs/dbraw/zinc/87/11/37/1433871137.db2.gz KRBRVOLHVBLDPK-UHFFFAOYSA-N 0 0 378.457 3.119 10 30 GGEERN Cc1ccc(N=C2SCCCN2C(=O)[C@H]2CCS(=O)(=O)C2)cc1Cl ZINC000254399458 1433871206 /nfs/dbraw/zinc/87/12/06/1433871206.db2.gz SCUDOMFTJYJCDL-LBPRGKRZSA-N 0 0 386.926 3.036 10 30 GGEERN O=C(C=NOCC(=O)Nc1cccc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000254450195 1433871257 /nfs/dbraw/zinc/87/12/57/1433871257.db2.gz DKPDUYNSGALWOA-UHFFFAOYSA-N 0 0 392.371 3.328 10 30 GGEERN COc1cccc(C=Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c1OC ZINC000254482262 1433871318 /nfs/dbraw/zinc/87/13/18/1433871318.db2.gz KNVXZFGYHVTHDD-UHFFFAOYSA-N 0 0 382.869 3.358 10 30 GGEERN CC(=NOCC(=O)Nc1ccc2c(c1)OCCCO2)c1ccc2c(c1)CCO2 ZINC000254478251 1433871352 /nfs/dbraw/zinc/87/13/52/1433871352.db2.gz BIJKAMPWLOPXPU-UHFFFAOYSA-N 0 0 382.416 3.162 10 30 GGEERN CC(=O)Nc1ccc(C(C)=NOCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000254495845 1433871429 /nfs/dbraw/zinc/87/14/29/1433871429.db2.gz SUKSOVBHKWCNBB-UHFFFAOYSA-N 0 0 385.376 3.361 10 30 GGEERN C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(N=Cc2c(F)cccc2F)C1=O ZINC000254759919 1433871831 /nfs/dbraw/zinc/87/18/31/1433871831.db2.gz YVBQIBFREZAFTR-SFHVURJKSA-N 0 0 395.312 3.367 10 30 GGEERN CCCN1c2ccccc2C(=NOCC(=O)N2CCCc3ccccc32)C1=O ZINC000254818090 1433871988 /nfs/dbraw/zinc/87/19/88/1433871988.db2.gz CHNBVFRSGGQWRM-UHFFFAOYSA-N 0 0 377.444 3.143 10 30 GGEERN C=CCOc1ccc(C=c2sc3nc(-c4cccs4)nn3c2=O)cc1OC ZINC000254795593 1433872023 /nfs/dbraw/zinc/87/20/23/1433872023.db2.gz SKIQLKPXIDCLRS-UHFFFAOYSA-N 0 0 397.481 3.001 10 30 GGEERN COc1ccccc1NC(=O)C=NOCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000254798437 1433872042 /nfs/dbraw/zinc/87/20/42/1433872042.db2.gz MYIBLOHZYJEGMZ-UHFFFAOYSA-N 0 0 386.433 3.163 10 30 GGEERN COc1cc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)cc(OC)c1O ZINC000254840157 1433872135 /nfs/dbraw/zinc/87/21/35/1433872135.db2.gz FSRGZJUCSGQYJL-UHFFFAOYSA-N 0 0 390.852 3.492 10 30 GGEERN CCN=c1scc(-c2ccc3c(c2)NC(=O)CO3)n1N=Cc1cccs1 ZINC000254823358 1433872173 /nfs/dbraw/zinc/87/21/73/1433872173.db2.gz FPRZJIPWPQDODH-UHFFFAOYSA-N 0 0 384.486 3.412 10 30 GGEERN O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1N=Cc1ccc2c(c1)OCO2 ZINC000254836084 1433872204 /nfs/dbraw/zinc/87/22/04/1433872204.db2.gz DKYXSDQGIHICII-UHFFFAOYSA-N 0 0 389.323 3.107 10 30 GGEERN CC(C)N=c1ccc(C#N)cn1C(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000254838262 1433872208 /nfs/dbraw/zinc/87/22/08/1433872208.db2.gz JAGSLOWBAGWYLL-HNNXBMFYSA-N 0 0 382.851 3.016 10 30 GGEERN COc1ccc(/C=C\C(=O)c2ccc(N3CCOCC3)c(F)c2)cc1[N+](=O)[O-] ZINC000254971090 1433873332 /nfs/dbraw/zinc/87/33/32/1433873332.db2.gz HHUKMURDQHLQSX-KXFIGUGUSA-N 0 0 386.379 3.475 10 30 GGEERN O=C(CCNC(=O)C1N=CC=CC1=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000255473627 1433883388 /nfs/dbraw/zinc/88/33/88/1433883388.db2.gz BMKJZESIKJKVTI-GHVJWSGMSA-N 0 0 389.455 3.132 10 30 GGEERN CC(C)c1nc2ccc(NC(=O)CCNC(=O)C3N=CC=CC3=O)cc2s1 ZINC000255624191 1433886866 /nfs/dbraw/zinc/88/68/66/1433886866.db2.gz DCHSLKUDWAYFCA-ISLYRVAYSA-N 0 0 384.461 3.275 10 30 GGEERN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC1CC(c2ccccc2)C1 ZINC000264007272 1434061314 /nfs/dbraw/zinc/06/13/14/1434061314.db2.gz GRESHYGACXKMSS-UHFFFAOYSA-N 0 0 377.444 3.346 10 30 GGEERN COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(F)c(C#N)c2)cc1OC ZINC000264145247 1434075678 /nfs/dbraw/zinc/07/56/78/1434075678.db2.gz YYRVWWIPSJYLQU-QGZVFWFLSA-N 0 0 390.436 3.240 10 30 GGEERN Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)CCNC(=O)C2N=CC=CC2=O)cc1 ZINC000266822491 1434378857 /nfs/dbraw/zinc/37/88/57/1434378857.db2.gz GCGNATKNRHLHKV-VIQUMOLNSA-N 0 0 381.476 3.211 10 30 GGEERN N#CCN1CCC[C@@H](CNC(=O)COC(c2ccccc2)c2ccccc2)C1 ZINC000267134370 1434409719 /nfs/dbraw/zinc/40/97/19/1434409719.db2.gz GBFUBIYRYMHMRJ-IBGZPJMESA-N 0 0 377.488 3.144 10 30 GGEERN N#CCN1CCC[C@H](CNC(=O)COC(c2ccccc2)c2ccccc2)C1 ZINC000267134374 1434409745 /nfs/dbraw/zinc/40/97/45/1434409745.db2.gz GBFUBIYRYMHMRJ-LJQANCHMSA-N 0 0 377.488 3.144 10 30 GGEERN Cc1cc(N2CCC(NC(=O)Nc3ccc(C#N)cc3Cl)CC2)nc(C)n1 ZINC000269097802 1434591857 /nfs/dbraw/zinc/59/18/57/1434591857.db2.gz FCIIFXYSAMDHML-UHFFFAOYSA-N 0 0 384.871 3.409 10 30 GGEERN COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1ccc(OC2COC2)cc1 ZINC000275573121 1435149449 /nfs/dbraw/zinc/14/94/49/1435149449.db2.gz GMANCLZIOBCIRP-INIZCTEOSA-N 0 0 395.459 3.220 10 30 GGEERN N#CCOc1cccc(NC(=O)C(=O)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000275579791 1435150200 /nfs/dbraw/zinc/15/02/00/1435150200.db2.gz CXJWXWNWCJIIHU-UHFFFAOYSA-N 0 0 378.432 3.156 10 30 GGEERN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2cc(C#N)ccn2)cc1 ZINC000276642158 1435222391 /nfs/dbraw/zinc/22/23/91/1435222391.db2.gz XRTYDPAPDAVFDE-HOTGVXAUSA-N 0 0 392.459 3.374 10 30 GGEERN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N(CCC#N)CCC#N)cc2CC1 ZINC000276642987 1435222398 /nfs/dbraw/zinc/22/23/98/1435222398.db2.gz PTEFQSGNQPUYMK-UHFFFAOYSA-N 0 0 396.491 3.292 10 30 GGEERN C=C(C)CN(Cc1ccccc1)C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12 ZINC000279592758 1435516683 /nfs/dbraw/zinc/51/66/83/1435516683.db2.gz ARGYWABTRABKHN-HBFSDRIKSA-N 0 0 387.549 3.317 10 30 GGEERN C=CCN1CC[C@@H](Sc2nnc(COc3ccc(C)cc3)n2CC=C)C1=O ZINC000280898630 1435738320 /nfs/dbraw/zinc/73/83/20/1435738320.db2.gz DOILESDNJYBZQG-QGZVFWFLSA-N 0 0 384.505 3.231 10 30 GGEERN C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(N2CCNC2=O)CC1 ZINC000282163270 1435836920 /nfs/dbraw/zinc/83/69/20/1435836920.db2.gz DCZOASHBHCBFRT-LJQANCHMSA-N 0 0 394.523 3.000 10 30 GGEERN C[C@H](C#N)CN(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCCCO1 ZINC000282855568 1435863124 /nfs/dbraw/zinc/86/31/24/1435863124.db2.gz AZWXGGIKVJFZAR-HZPDHXFCSA-N 0 0 387.459 3.161 10 30 GGEERN COc1cc(Cl)ccc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCOC1 ZINC000283279259 1435882644 /nfs/dbraw/zinc/88/26/44/1435882644.db2.gz GJHXHFCQXIGRPS-KGLIPLIRSA-N 0 0 389.887 3.239 10 30 GGEERN C=CCn1c(-c2ccccn2)nnc1N1CCC(NC(=O)CCCCC)CC1 ZINC000283372681 1435886641 /nfs/dbraw/zinc/88/66/41/1435886641.db2.gz CLZIAYSVVRAPSA-UHFFFAOYSA-N 0 0 382.512 3.191 10 30 GGEERN N#CC1(c2ccc(C[NH2+][C@@H](Cc3ccc4c(c3)OCCCO4)C(=O)[O-])cc2)CC1 ZINC000594690886 1126098653 /nfs/dbraw/zinc/09/86/53/1126098653.db2.gz PHAHGLGHQLROSD-IBGZPJMESA-N 0 0 392.455 3.189 10 30 GGEERN COc1ccc(C[NH2+][C@@H](Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])cc1C#N ZINC000864527968 1126113763 /nfs/dbraw/zinc/11/37/63/1126113763.db2.gz KNLYASTVBDBTMH-INIZCTEOSA-N 0 0 394.349 3.251 10 30 GGEERN CCOc1ccccc1CNC(=NS(C)(=O)=O)Nc1ccc(C)cc1C ZINC000033116452 230918845 /nfs/dbraw/zinc/91/88/45/230918845.db2.gz DKIYVNNFEGPMLR-UHFFFAOYSA-N 0 0 375.494 3.219 10 30 GGEERN N#CCS(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2Cc2ccccc2)cc1 ZINC000225610221 231034956 /nfs/dbraw/zinc/03/49/56/231034956.db2.gz FIXPUPIPDKCFSZ-SFHVURJKSA-N 0 0 383.473 3.223 10 30 GGEERN C=CCN1C(=O)/C(=C\c2ccco2)S/C1=N/S(=O)(=O)c1cccs1 ZINC000033381199 120293062 /nfs/dbraw/zinc/29/30/62/120293062.db2.gz RGELXDHTTCFAGB-PXRZZDHNSA-N 0 0 380.472 3.188 10 30 GGEERN CN(Cc1cccc(Cl)c1)C(=O)CN1C(=O)CS/C1=C/C(=O)C(C)(C)C ZINC000096991342 529993756 /nfs/dbraw/zinc/99/37/56/529993756.db2.gz UAHTYOXDVZAMBN-GIJQJNRQSA-N 0 0 394.924 3.330 10 30 GGEERN COc1cc(Br)ccc1[C@@H](C)NC(=O)CNc1ccc(C#N)cn1 ZINC000470823150 532536458 /nfs/dbraw/zinc/53/64/58/532536458.db2.gz AHFGBPKOJAFMLS-LLVKDONJSA-N 0 0 389.253 3.014 10 30 GGEERN O=C(Nc1ccccc1)c1cccc(S(=O)(=O)N/N=C/c2ccccc2)c1 ZINC000001513539 212249443 /nfs/dbraw/zinc/24/94/43/212249443.db2.gz RFFLSHBUSAHBNR-RCCKNPSSSA-N 0 0 379.441 3.251 10 30 GGEERN O=C1c2cccc3c(N4CCOCC4)ccc(c23)C(=O)N1/N=C/c1ccccc1 ZINC000001500972 212248144 /nfs/dbraw/zinc/24/81/44/212248144.db2.gz SWNYEFGQRZJMCA-BUVRLJJBSA-N 0 0 385.423 3.307 10 30 GGEERN CC(=O)NC1(c2cccc(F)c2)CCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000001344276 212237211 /nfs/dbraw/zinc/23/72/11/212237211.db2.gz QLPJAYVLJPFGLU-UHFFFAOYSA-N 0 0 380.423 3.357 10 30 GGEERN Cn1cccc1CN(C(=O)CN(C(=O)Nc1cccc(C#N)c1)C1CC1)C1CC1 ZINC000000966178 212199641 /nfs/dbraw/zinc/19/96/41/212199641.db2.gz ZQELJOONCXZYAF-UHFFFAOYSA-N 0 0 391.475 3.084 10 30 GGEERN Cc1ccc([C@@H]2CCN(C(=O)CCc3c(C)nc4c(C#N)cnn4c3C)C2)cc1 ZINC000359992278 212130405 /nfs/dbraw/zinc/13/04/05/212130405.db2.gz GUFGAFURQYOVIL-LJQANCHMSA-N 0 0 387.487 3.475 10 30 GGEERN C=CCN1c2c(c(=O)oc3ccccc23)[C@@]2(c3ccccc3-c3oc(N)nc32)C1=O ZINC000020161010 212106713 /nfs/dbraw/zinc/10/67/13/212106713.db2.gz IRWFEAWPOTWFKV-HSZRJFAPSA-N 0 0 397.390 3.211 10 30 GGEERN C=CCN(C(=O)CCS(=O)(=O)c1cccc2nsnc21)c1ccccc1 ZINC000002457713 212102488 /nfs/dbraw/zinc/10/24/88/212102488.db2.gz NIYNYAXCUJAISQ-UHFFFAOYSA-N 0 0 387.486 3.074 10 30 GGEERN O[C@@H](C#Cc1ccccc1)C(Br)(Br)Br ZINC000021989929 212106070 /nfs/dbraw/zinc/10/60/70/212106070.db2.gz WRDDORDTMKYDFB-VIFPVBQESA-N 0 0 382.877 3.238 10 30 GGEERN CC#CCN(Cc1ccco1)C(=O)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000014981648 212099784 /nfs/dbraw/zinc/09/97/84/212099784.db2.gz ZVCBAHBVHCUEOA-IBGZPJMESA-N 0 0 396.462 3.252 10 30 GGEERN CC#CCN(Cc1ccco1)C(=O)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000014981646 212099663 /nfs/dbraw/zinc/09/96/63/212099663.db2.gz ZVCBAHBVHCUEOA-LJQANCHMSA-N 0 0 396.462 3.252 10 30 GGEERN C=CCN(CC(=O)Nc1ccccc1C#N)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000008429613 212097159 /nfs/dbraw/zinc/09/71/59/212097159.db2.gz FBLKVIATULLZGA-UHFFFAOYSA-N 0 0 397.500 3.299 10 30 GGEERN C=CCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1 ZINC000008776416 212096522 /nfs/dbraw/zinc/09/65/22/212096522.db2.gz IXWKKTKMJQYKKF-UHFFFAOYSA-N 0 0 394.880 3.164 10 30 GGEERN C=CCN(Cc1cccs1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000009721629 212096596 /nfs/dbraw/zinc/09/65/96/212096596.db2.gz OKOILDTTZIDWJV-UHFFFAOYSA-N 0 0 390.530 3.361 10 30 GGEERN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)Nc1cccc(C)c1 ZINC000008705562 212095712 /nfs/dbraw/zinc/09/57/12/212095712.db2.gz YVOVWJVZTXJYAY-QFIPXVFZSA-N 0 0 375.428 3.099 10 30 GGEERN C#CC(CC)(CC)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 ZINC000007724414 212090402 /nfs/dbraw/zinc/09/04/02/212090402.db2.gz NKKOXYJFDYMIDO-UHFFFAOYSA-N 0 0 384.929 3.292 10 30 GGEERN C=CCN1c2ccccc2[C@](O)(c2sc(N)nc2-c2ccc(F)c(F)c2)C1=O ZINC000006820560 212082387 /nfs/dbraw/zinc/08/23/87/212082387.db2.gz RYSFNAFYNDVOPH-FQEVSTJZSA-N 0 0 399.422 3.439 10 30 GGEERN C=CCN(CC=C)C(=O)CSc1nnc(-c2ccc(OC)cc2)n1CC=C ZINC000004345973 212080142 /nfs/dbraw/zinc/08/01/42/212080142.db2.gz YJPPSAIOOPVVDS-UHFFFAOYSA-N 0 0 384.505 3.432 10 30 GGEERN C=CCc1cc(/C=C2\C(=O)N=C3SN=C(SC)N3C2=N)cc(OC)c1O ZINC000004825846 212079695 /nfs/dbraw/zinc/07/96/95/212079695.db2.gz JLFBKXCTDUPCQN-WGAGLLEQSA-N 0 0 388.474 3.069 10 30 GGEERN C=CCNC(=O)[C@H](Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCC=C ZINC000003843361 212077108 /nfs/dbraw/zinc/07/71/08/212077108.db2.gz YMZGWWVCRSQAIR-FGZHOGPDSA-N 0 0 376.500 3.309 10 30 GGEERN C=CCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)NCC ZINC000004490635 212079107 /nfs/dbraw/zinc/07/91/07/212079107.db2.gz HQRXRGBTIKODGY-UHFFFAOYSA-N 0 0 383.492 3.377 10 30 GGEERN C=CCN1C2=C(C(=O)N(Cc3ccccc3)C2)[C@H](c2cccc(F)c2)NC1=O ZINC000004346685 212078524 /nfs/dbraw/zinc/07/85/24/212078524.db2.gz NHZWTPGEEVTIPT-FQEVSTJZSA-N 0 0 377.419 3.375 10 30 GGEERN C=CCN1C2=C(C(=O)N(Cc3ccccc3)C2)[C@@H](c2ccc(F)cc2)NC1=O ZINC000004345076 212077684 /nfs/dbraw/zinc/07/76/84/212077684.db2.gz DPDSDLUOJVQXKD-HXUWFJFHSA-N 0 0 377.419 3.375 10 30 GGEERN C=CCNc1nc(Nc2ccc(I)cc2C)nc(OC)n1 ZINC000002924949 220585194 /nfs/dbraw/zinc/58/51/94/220585194.db2.gz FDSKHPYLZCQCTL-UHFFFAOYSA-N 0 0 397.220 3.135 10 30 GGEERN C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(C)C(=O)CO ZINC000004212985 220693890 /nfs/dbraw/zinc/69/38/90/220693890.db2.gz FXBVINCSIJOIGL-ODTHGOCZSA-N 0 0 390.495 3.171 10 30 in-man GGEERN COc1ccc(Br)c(/C=N/NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000005415742 220867660 /nfs/dbraw/zinc/86/76/60/220867660.db2.gz HZYZVYQPOCPLEI-LICLKQGHSA-N 0 0 383.267 3.079 10 30 GGEERN CNC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)cc2)/C(=N/c2ccccc2)S1 ZINC000005452555 220872966 /nfs/dbraw/zinc/87/29/66/220872966.db2.gz FAPLAJGQBZFBKO-GLEDVZQVSA-N 0 0 397.500 3.006 10 30 GGEERN COC(=O)C1=C(C)NC(C)=C(C(C)=O)[C@H]1c1cc(Br)ccc1OC ZINC000005559162 220883679 /nfs/dbraw/zinc/88/36/79/220883679.db2.gz TZZSEXKHKVJUQQ-QGZVFWFLSA-N 0 0 394.265 3.455 10 30 GGEERN C[C@@H](Sc1nnnn1-c1ccccc1)C(=O)N(CCC#N)c1ccccc1 ZINC000005652144 220889646 /nfs/dbraw/zinc/88/96/46/220889646.db2.gz VJZGYBQUCJGTQM-OAHLLOKOSA-N 0 0 378.461 3.090 10 30 GGEERN Cn1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nnc1C(F)(F)F ZINC000006788289 220960987 /nfs/dbraw/zinc/96/09/87/220960987.db2.gz FIRGVRMJWXJSAT-UHFFFAOYSA-N 0 0 375.763 3.090 10 30 GGEERN CCOC(=O)c1cc(C#N)c(S[C@H](C)C(=O)N2CCCCCC2)nc1C ZINC000007302100 220992973 /nfs/dbraw/zinc/99/29/73/220992973.db2.gz RZRVNIYCTFRJMO-CQSZACIVSA-N 0 0 375.494 3.322 10 30 GGEERN Cc1[nH]c(C(=O)O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)c(C)c1C(=O)OC(C)C ZINC000007413423 220996129 /nfs/dbraw/zinc/99/61/29/220996129.db2.gz YQNVNEIXWSJODI-AWEZNQCLSA-N 0 0 397.431 3.252 10 30 GGEERN CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)OCc2ccccc2C#N)c1 ZINC000007007037 220984069 /nfs/dbraw/zinc/98/40/69/220984069.db2.gz DJBXBOZAHIVRAM-UHFFFAOYSA-N 0 0 390.436 3.085 10 30 GGEERN N#Cc1ccccc1NC(=O)COC(=O)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000007761216 221010397 /nfs/dbraw/zinc/01/03/97/221010397.db2.gz VRAZOEGOTCYRBG-UHFFFAOYSA-N 0 0 382.759 3.114 10 30 GGEERN C[C@@H](OC(=O)[C@H]1COc2ccc(Cl)cc2C1)C(=O)Nc1sccc1C#N ZINC000007551762 221001504 /nfs/dbraw/zinc/00/15/04/221001504.db2.gz GZYNENFGZNSDCX-ZWNOBZJWSA-N 0 0 390.848 3.395 10 30 GGEERN C[C@H](OC(=O)[C@@H]1COc2ccc(Cl)cc2C1)C(=O)Nc1sccc1C#N ZINC000007551784 221001588 /nfs/dbraw/zinc/00/15/88/221001588.db2.gz GZYNENFGZNSDCX-GWCFXTLKSA-N 0 0 390.848 3.395 10 30 GGEERN N#Cc1cccc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000008039981 221025212 /nfs/dbraw/zinc/02/52/12/221025212.db2.gz RHFHMQXNRQCVIF-SFHVURJKSA-N 0 0 384.457 3.245 10 30 GGEERN N#Cc1cccc(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 ZINC000008310329 221035625 /nfs/dbraw/zinc/03/56/25/221035625.db2.gz OYSNSKXYSCJZND-IBGZPJMESA-N 0 0 377.444 3.495 10 30 GGEERN CC(=O)C1=C(OC(=O)C(C)C)c2ccccc2S(=O)(=O)N1Cc1ccccc1 ZINC000008654849 221048203 /nfs/dbraw/zinc/04/82/03/221048203.db2.gz HZEYMJITWQMCBP-UHFFFAOYSA-N 0 0 399.468 3.348 10 30 GGEERN N#Cc1c(NC(=O)CNc2ccccc2N2CCCC2=O)sc2c1CCC2 ZINC000009835453 221092812 /nfs/dbraw/zinc/09/28/12/221092812.db2.gz NWPXZMRIJYCVKT-UHFFFAOYSA-N 0 0 380.473 3.286 10 30 GGEERN C[C@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)N1CCOCC1 ZINC000011460693 221115646 /nfs/dbraw/zinc/11/56/46/221115646.db2.gz XRBVSNNIACZRES-HNNXBMFYSA-N 0 0 396.468 3.114 10 30 GGEERN CCC[C@H](C)NC(=O)CSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N ZINC000012755930 221225632 /nfs/dbraw/zinc/22/56/32/221225632.db2.gz LZYJOIXZORGZGW-ZDUSSCGKSA-N 0 0 397.504 3.185 10 30 GGEERN COc1ccc(O[C@@H](C)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000012785337 221231251 /nfs/dbraw/zinc/23/12/51/221231251.db2.gz HKKZKBKKDQLEPC-SFHVURJKSA-N 0 0 393.487 3.069 10 30 GGEERN N#Cc1ccc(-c2csc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)n2)cc1 ZINC000012977295 221251500 /nfs/dbraw/zinc/25/15/00/221251500.db2.gz GWZVAYBTQKJUEV-QGZVFWFLSA-N 0 0 375.409 3.402 10 30 GGEERN CN(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)Cc1ccccc1C#N ZINC000012908511 221245329 /nfs/dbraw/zinc/24/53/29/221245329.db2.gz IKKBVOVZUDBTRR-UHFFFAOYSA-N 0 0 384.379 3.419 10 30 GGEERN COc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(C(F)(F)F)nn32)cc1OC ZINC000013123712 221261812 /nfs/dbraw/zinc/26/18/12/221261812.db2.gz GBDKBLGCKLTLFE-HNNXBMFYSA-N 0 0 394.353 3.336 10 30 GGEERN CC1CCN(c2ccc(S(=O)(=O)N=C3CCCCCN3)cc2[N+](=O)[O-])CC1 ZINC000013133035 221262109 /nfs/dbraw/zinc/26/21/09/221262109.db2.gz JHEXCYUFEDLZDG-UHFFFAOYSA-N 0 0 394.497 3.082 10 30 GGEERN CCN1C(=O)/C(=C\c2cccs2)S/C1=N\S(=O)(=O)c1ccccc1 ZINC000013150261 221262825 /nfs/dbraw/zinc/26/28/25/221262825.db2.gz IXVDXYHJXXXGGV-ONKHVRGJSA-N 0 0 378.500 3.429 10 30 GGEERN CCOc1cc(Br)c(/C=C2\C(C)=NN(CCC#N)C2=O)cc1OC ZINC000013914547 221292683 /nfs/dbraw/zinc/29/26/83/221292683.db2.gz HSBHRSSXXINLER-MDWZMJQESA-N 0 0 392.253 3.372 10 30 GGEERN C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C#N)c1 ZINC000014245460 221307422 /nfs/dbraw/zinc/30/74/22/221307422.db2.gz YVFLIMLAGJHTLP-SNVBAGLBSA-N 0 0 398.271 3.171 10 30 GGEERN Cc1ccc(C)n1NC(=O)c1ccc(OS(=O)(=O)c2ccccc2C#N)cc1 ZINC000015329574 221335235 /nfs/dbraw/zinc/33/52/35/221335235.db2.gz DYZKSXVQKMJBLQ-UHFFFAOYSA-N 0 0 395.440 3.128 10 30 GGEERN N#Cc1cccc(S(=O)(=O)c2cc3cc(Br)ccc3oc2=O)c1 ZINC000015828715 221347078 /nfs/dbraw/zinc/34/70/78/221347078.db2.gz RKTOESWWKGWURF-UHFFFAOYSA-N 0 0 390.214 3.260 10 30 GGEERN Cc1nn(-c2nc3ccccc3n2C)c2c1[C@H](c1ccc(C#N)cc1)CC(=O)N2 ZINC000015868251 221349594 /nfs/dbraw/zinc/34/95/94/221349594.db2.gz AQIGVQJDGHBUBB-INIZCTEOSA-N 0 0 382.427 3.413 10 30 GGEERN O=C(c1cc(=O)[nH]c2ccccc21)N1CCS/C1=N\CCc1ccccc1 ZINC000016050581 221355839 /nfs/dbraw/zinc/35/58/39/221355839.db2.gz IYXOOIYACOFHGY-DQRAZIAOSA-N 0 0 377.469 3.316 10 30 GGEERN CC1(C)CC(=O)c2cc(C#N)c(=O)n(CC(=O)Nc3ccc(Cl)cc3)c2C1 ZINC000017242878 221382501 /nfs/dbraw/zinc/38/25/01/221382501.db2.gz RMUDUNROYGJPAG-UHFFFAOYSA-N 0 0 383.835 3.167 10 30 GGEERN CCOC1(NC(C)=NS(=O)(=O)c2ccc(Cl)cc2)C(C)=CC(=O)C=C1C ZINC000018113981 221387445 /nfs/dbraw/zinc/38/74/45/221387445.db2.gz FDOIUUMPAAUZSU-UHFFFAOYSA-N 0 0 396.896 3.245 10 30 GGEERN N#CCCN(CN1C(=O)C(=O)c2cc(Br)ccc21)C1CCCCC1 ZINC000020421387 221486742 /nfs/dbraw/zinc/48/67/42/221486742.db2.gz YKFXQJHNIMLABF-UHFFFAOYSA-N 0 0 390.281 3.484 10 30 GGEERN Cc1c([N+](=O)[O-])cc(C#N)cc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000048279478 132431336 /nfs/dbraw/zinc/43/13/36/132431336.db2.gz DCWACJFOSLXVQT-UHFFFAOYSA-N 0 0 382.395 3.313 10 30 GGEERN N#Cc1cc(F)ccc1N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1=O ZINC000059282952 136155644 /nfs/dbraw/zinc/15/56/44/136155644.db2.gz LSXRNHJFFQIOPD-UHFFFAOYSA-N 0 0 392.217 3.493 10 30 GGEERN Cc1nc(-c2ccc(N3CCN(C(=O)c4ccc(C#N)cc4F)CC3)cc2)no1 ZINC000064889452 136158105 /nfs/dbraw/zinc/15/81/05/136158105.db2.gz FARYOCOKQBLWJK-UHFFFAOYSA-N 0 0 391.406 3.018 10 30 GGEERN Cc1csc(-c2ccc(N3CCN(C(=O)c4cccc(C#N)c4)CC3)nc2)n1 ZINC000065240726 136161064 /nfs/dbraw/zinc/16/10/64/136161064.db2.gz FVQRUUHRQBPNJP-UHFFFAOYSA-N 0 0 389.484 3.348 10 30 GGEERN Cc1nc2cc(C)ccn2c1CN1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000096997123 136187995 /nfs/dbraw/zinc/18/79/95/136187995.db2.gz YLQNQMLOFHEBTA-UHFFFAOYSA-N 0 0 390.447 3.053 10 30 GGEERN N#Cc1cccc(C(=O)N2CCO[C@@H](COc3cccc(C(F)(F)F)c3)C2)c1 ZINC000022624272 221565811 /nfs/dbraw/zinc/56/58/11/221565811.db2.gz FJQMKGRMSHPORD-GOSISDBHSA-N 0 0 390.361 3.497 10 30 GGEERN C[C@H](CNS(=O)(=O)c1cccc(C#N)c1)c1nc2ccccc2n1C(F)F ZINC000032863487 221743066 /nfs/dbraw/zinc/74/30/66/221743066.db2.gz AIOYCTOMCBKAGW-GFCCVEGCSA-N 0 0 390.415 3.385 10 30 GGEERN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C1CCN(c2ccc(C#N)cn2)CC1 ZINC000032880037 221744307 /nfs/dbraw/zinc/74/43/07/221744307.db2.gz DWKZDWFRKPLBPC-HNNXBMFYSA-N 0 0 393.447 3.297 10 30 GGEERN N#Cc1ccccc1NC(=O)CCSc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000032871009 221744331 /nfs/dbraw/zinc/74/43/31/221744331.db2.gz RMVGQJUGQNNINH-UHFFFAOYSA-N 0 0 394.412 3.458 10 30 GGEERN N#Cc1cccc(CN2c3ccccc3[C@]3(SCCN3C(=O)C3CC3)C2=O)c1 ZINC000036166969 221845681 /nfs/dbraw/zinc/84/56/81/221845681.db2.gz JKVGQKMDLMFQJW-QFIPXVFZSA-N 0 0 389.480 3.243 10 30 GGEERN CCC(=O)N1CCS[C@@]12c1cc(F)ccc1N(Cc1cccc(C#N)c1)C2=O ZINC000036167335 221845807 /nfs/dbraw/zinc/84/58/07/221845807.db2.gz UPFOEEZKBARILX-OAQYLSRUSA-N 0 0 395.459 3.382 10 30 GGEERN N#Cc1cc(S(=O)(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)ccc1Cl ZINC000057101951 222028821 /nfs/dbraw/zinc/02/88/21/222028821.db2.gz HBFKPCZLJUZZDN-CYBMUJFWSA-N 0 0 393.871 3.156 10 30 GGEERN CN(Cc1cc(C#N)ccc1F)C(=O)COC(=O)c1cc(Cl)ccc1F ZINC000050592777 222004612 /nfs/dbraw/zinc/00/46/12/222004612.db2.gz SXWRYQHWDQKWFK-UHFFFAOYSA-N 0 0 378.762 3.305 10 30 GGEERN CN(CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(C#N)cn1 ZINC000058426803 222052278 /nfs/dbraw/zinc/05/22/78/222052278.db2.gz ZXNXHPAGPOCGKT-UHFFFAOYSA-N 0 0 378.432 3.460 10 30 GGEERN Cc1ccc(/C=C/C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)s1 ZINC000065562864 222132849 /nfs/dbraw/zinc/13/28/49/222132849.db2.gz QRFBSXMXBZUMAV-KBOKABMXSA-N 0 0 383.498 3.482 10 30 GGEERN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3(C#N)CCCC3)c2)cc1 ZINC000067508641 222148374 /nfs/dbraw/zinc/14/83/74/222148374.db2.gz JOCCSSFFLVRDRA-UHFFFAOYSA-N 0 0 383.473 3.362 10 30 GGEERN COc1ccc([C@@H]2[C@H](Oc3cccc(C#N)c3)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000089439011 222327072 /nfs/dbraw/zinc/32/70/72/222327072.db2.gz YZFJZSXYANGXAU-HBMCJLEFSA-N 0 0 378.428 3.077 10 30 GGEERN COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000079102753 222304081 /nfs/dbraw/zinc/30/40/81/222304081.db2.gz AJLZRJFRLNUGQW-ZWKOTPCHSA-N 0 0 398.459 3.434 10 30 GGEERN COC(=O)c1ccc(-c2noc(C(=O)Nc3ccc(C#N)c(Cl)c3)n2)cc1 ZINC000083895793 222312873 /nfs/dbraw/zinc/31/28/73/222312873.db2.gz AQSJGICGWFCDEN-UHFFFAOYSA-N 0 0 382.763 3.301 10 30 GGEERN C#CCNC(=O)CNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000050667452 518276166 /nfs/dbraw/zinc/27/61/66/518276166.db2.gz MBANBXPABKLKCY-UHFFFAOYSA-N 0 0 377.831 3.034 10 30 GGEERN C#CCOc1cc(Br)c(/C=C2/SC(=O)N(C)C2=O)cc1OC ZINC000033417639 518317055 /nfs/dbraw/zinc/31/70/55/518317055.db2.gz LJLVPPBOGJAJSH-NTUHNPAUSA-N 0 0 382.235 3.136 10 30 GGEERN CC(=CC(=O)c1ccc(Cl)cc1)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000006652320 518432279 /nfs/dbraw/zinc/43/22/79/518432279.db2.gz YYBSXCZLQFODFH-OZRFXKHVSA-N 0 0 390.823 3.019 10 30 GGEERN CC(N=Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000033389508 518453853 /nfs/dbraw/zinc/45/38/53/518453853.db2.gz GANVYUQFAYTVDP-NDENLUEZSA-N 0 0 390.465 3.376 10 30 GGEERN CC(N=Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1cccs1 ZINC000004964513 518464665 /nfs/dbraw/zinc/46/46/65/518464665.db2.gz WSGFPLIGQAORQF-SFQUDFHCSA-N 0 0 394.478 3.277 10 30 GGEERN CC(=NNc1nnc(SCC(=O)Nc2c(C)cccc2C)[nH]1)c1cccnc1 ZINC000020418149 518467217 /nfs/dbraw/zinc/46/72/17/518467217.db2.gz AEURIUIYWUIGBG-OEAKJJBVSA-N 0 0 395.492 3.383 10 30 GGEERN C=C(C)CN(CC)C(=O)COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000010886261 518594493 /nfs/dbraw/zinc/59/44/93/518594493.db2.gz WSFMCMWHODLRLM-UHFFFAOYSA-N 0 0 399.466 3.472 10 30 GGEERN C=CCC1(CC=C)CCCN1C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1F ZINC000055166362 518691065 /nfs/dbraw/zinc/69/10/65/518691065.db2.gz IPGSGLCVARKOEU-FQEVSTJZSA-N 0 0 399.510 3.030 10 30 GGEERN C=CCN(CC(=O)c1c(C)c(C(=O)OC)n(C)c1C)C(=O)c1ccc(F)cc1 ZINC000035538723 518760900 /nfs/dbraw/zinc/76/09/00/518760900.db2.gz BXHYYLPFQLUTAL-UHFFFAOYSA-N 0 0 386.423 3.079 10 30 GGEERN C=CCN(Cc1ccc(Cl)s1)C(=O)Cn1nnc(-c2cccc(F)c2)n1 ZINC000007149194 518780120 /nfs/dbraw/zinc/78/01/20/518780120.db2.gz KWWXBJXHIRTALQ-UHFFFAOYSA-N 0 0 391.859 3.409 10 30 GGEERN C=CCN1C(=O)c2ccc(C(=O)OCC(=O)c3cc4ccccc4o3)cc2C1=O ZINC000005569855 518850600 /nfs/dbraw/zinc/85/06/00/518850600.db2.gz KJZRXDVXPRMZHB-UHFFFAOYSA-N 0 0 389.363 3.255 10 30 GGEERN C=CCNC(=O)C1(c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)CC1 ZINC000033274687 518884847 /nfs/dbraw/zinc/88/48/47/518884847.db2.gz RIXKWORHIPYRTR-UHFFFAOYSA-N 0 0 384.501 3.438 10 30 GGEERN C=CCNC(=O)CCc1nc2cc(Cl)ccc2n(Cc2ccccc2)c1=O ZINC000014013897 518886167 /nfs/dbraw/zinc/88/61/67/518886167.db2.gz RFDNVWCWWKMONU-UHFFFAOYSA-N 0 0 381.863 3.333 10 30 GGEERN C=CCNC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 ZINC000002623020 518898170 /nfs/dbraw/zinc/89/81/70/518898170.db2.gz HVCMKLWCIDWTLG-UHFFFAOYSA-N 0 0 394.456 3.057 10 30 GGEERN C=CCNC(=O)Cc1ccc(N(Cc2ccc(OC)cc2)C(=O)C2CC2)cc1 ZINC000037557200 518900938 /nfs/dbraw/zinc/90/09/38/518900938.db2.gz USIRNFPIDRDKPW-UHFFFAOYSA-N 0 0 378.472 3.483 10 30 GGEERN C=CCNC(=O)N1CCN([C@H](C(=O)Nc2ccc(C)cc2)C2CCCC2)CC1 ZINC000036311045 518904317 /nfs/dbraw/zinc/90/43/17/518904317.db2.gz OJWZCJYEVYUJQJ-FQEVSTJZSA-N 0 0 384.524 3.006 10 30 GGEERN C=CCNC(=O)NC1CCN(c2ccccc2C(=O)NCc2ccccc2)CC1 ZINC000037525311 518908859 /nfs/dbraw/zinc/90/88/59/518908859.db2.gz GJRIEIOHIWSJPI-UHFFFAOYSA-N 0 0 392.503 3.071 10 30 GGEERN C=CCNC(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1-c1ccc(F)cc1 ZINC000017007073 518915759 /nfs/dbraw/zinc/91/57/59/518915759.db2.gz QQZTUTMXQURVJC-CYBMUJFWSA-N 0 0 383.452 3.251 10 30 GGEERN C=CCNC(=O)[C@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccc(OC)cc2)C1 ZINC000034709558 518929552 /nfs/dbraw/zinc/92/95/52/518929552.db2.gz JOFWJKBEHBGAOI-UXHICEINSA-N 0 0 378.472 3.243 10 30 GGEERN C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000021712176 518930000 /nfs/dbraw/zinc/93/00/00/518930000.db2.gz LYQZFTWEQIWXFO-HXUWFJFHSA-N 0 0 391.471 3.154 10 30 GGEERN C=CCNC(=O)c1ccccc1N1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC000037525091 518938589 /nfs/dbraw/zinc/93/85/89/518938589.db2.gz HZUPYUTXXXUWBD-UHFFFAOYSA-N 0 0 381.451 3.140 10 30 GGEERN C=CCOC(=O)C1=C(C)Nc2nc(SCCC)[nH]c(=O)c2[C@@H]1c1cccnc1 ZINC000021729457 518972310 /nfs/dbraw/zinc/97/23/10/518972310.db2.gz JLXZFBZZQLHNST-OAHLLOKOSA-N 0 0 398.488 3.228 10 30 GGEERN C=CCOc1ccc(C=CC(=O)N=C(N)Nc2nc3ccccc3[nH]2)cc1OC ZINC000033502667 519016759 /nfs/dbraw/zinc/01/67/59/519016759.db2.gz OKGLOVLDKKZDCO-LUAWRHEFSA-N 0 0 391.431 3.103 10 30 GGEERN C=CCSc1nnc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)s1 ZINC000010414515 519087429 /nfs/dbraw/zinc/08/74/29/519087429.db2.gz CHHMXZLAKDUINQ-UHFFFAOYSA-N 0 0 383.882 3.422 10 30 GGEERN C=CCSc1nnc(NC(=O)C[C@H](NC(C)=O)c2ccc(C)cc2)s1 ZINC000011529684 519087475 /nfs/dbraw/zinc/08/74/75/519087475.db2.gz CXXBGHZTSCNKKD-AWEZNQCLSA-N 0 0 376.507 3.331 10 30 GGEERN C=CCSc1nnc(NC(=O)[C@H]2CC(=O)N(c3cccc(CC)c3)C2)s1 ZINC000024829413 519089513 /nfs/dbraw/zinc/08/95/13/519089513.db2.gz BSWZAPNRXLYRCC-ZDUSSCGKSA-N 0 0 388.518 3.370 10 30 GGEERN C=CCc1cc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)cc(OC)c1O ZINC000033291770 519125746 /nfs/dbraw/zinc/12/57/46/519125746.db2.gz DKDXQXKVGKCOMC-DHDCSXOGSA-N 0 0 391.445 3.117 10 30 GGEERN C=CCn1c(=O)c2c(ncn2Cc2cccc(C)c2)n(-c2ccccc2C)c1=O ZINC000037559103 519158167 /nfs/dbraw/zinc/15/81/67/519158167.db2.gz HWTVXVGUUZXYTD-UHFFFAOYSA-N 0 0 386.455 3.200 10 30 GGEERN C=CCn1c(=O)c2c(ncn2Cc2cccc(F)c2)n(-c2ccc(C)cc2)c1=O ZINC000037559023 519158222 /nfs/dbraw/zinc/15/82/22/519158222.db2.gz JDMUKCVWZPIUNI-UHFFFAOYSA-N 0 0 390.418 3.031 10 30 GGEERN C=CCn1c(SCC(=O)N(C)Cc2cccc(F)c2)nnc1-c1ccncc1 ZINC000009217428 519199745 /nfs/dbraw/zinc/19/97/45/519199745.db2.gz ZXGCTTUOVLTBNO-UHFFFAOYSA-N 0 0 397.479 3.416 10 30 GGEERN C=CCn1c(SCC(=O)Nc2cc(C)on2)nc2c3ccccc3[nH]c2c1=O ZINC000005106780 519212768 /nfs/dbraw/zinc/21/27/68/519212768.db2.gz ZKFJVSXQMZMYRV-UHFFFAOYSA-N 0 0 395.444 3.091 10 30 GGEERN CC(C)N1CC(=O)C(c2nc(-c3ccc(Br)cc3)cs2)=C1N ZINC000012618524 519668082 /nfs/dbraw/zinc/66/80/82/519668082.db2.gz HVXGTIKGWKMDQQ-UHFFFAOYSA-N 0 0 378.295 3.493 10 30 GGEERN CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C ZINC000071789478 519755222 /nfs/dbraw/zinc/75/52/22/519755222.db2.gz AUJYIXRHRTVZNY-ZWFCQKKLSA-N 0 0 386.488 3.014 10 30 GGEERN CCCN1CCN(C(Nc2cccc(C(=O)[O-])c2)=[NH+]CCc2ccccc2)CC1 ZINC000065308260 519855414 /nfs/dbraw/zinc/85/54/14/519855414.db2.gz TXIOLLAQAQDFQK-UHFFFAOYSA-N 0 0 394.519 3.232 10 30 GGEERN CCCN1c2ccccc2/C(=N/OCC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O ZINC000006398255 519865363 /nfs/dbraw/zinc/86/53/63/519865363.db2.gz SBWQYLUZBQMATM-DAFNUICNSA-N 0 0 395.503 3.249 10 30 GGEERN CCCCC(=O)OC1=C(C(C)=O)N(CCCC)S(=O)(=O)c2ccccc21 ZINC000020893966 519916760 /nfs/dbraw/zinc/91/67/60/519916760.db2.gz CLTRRQDAJHTTHO-UHFFFAOYSA-N 0 0 379.478 3.482 10 30 GGEERN CCCCCCCCCCCCCC[C@H](O)[C@@H](O)[C@@H](CO)OS(C)(=O)=O ZINC000103660171 520007790 /nfs/dbraw/zinc/00/77/90/520007790.db2.gz WGUHNEUPBLNWLP-IPMKNSEASA-N 0 0 396.590 3.137 10 30 GGEERN CCCCN1c2ccccc2[C@](O)(CC(=O)C=Cc2ccc3c(c2)OCO3)C1=O ZINC000033635917 520600819 /nfs/dbraw/zinc/60/08/19/520600819.db2.gz BLLYBLJKKVYXEA-MLJJGGTESA-N 0 0 393.439 3.422 10 30 GGEERN CCOc1cc(CNC(=O)[C@@H](C#N)c2nc(C)cs2)ccc1OC(F)F ZINC000095453889 520704311 /nfs/dbraw/zinc/70/43/11/520704311.db2.gz DFSKAYMNUVJXHA-GFCCVEGCSA-N 0 0 381.404 3.375 10 30 GGEERN CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1C ZINC000009313773 521358854 /nfs/dbraw/zinc/35/88/54/521358854.db2.gz DTXDWHZBMXBIPT-AATRIKPKSA-N 0 0 386.360 3.341 10 30 GGEERN CCSC1(SCC)N=C(N)[C@]2(C#N)[C@@H](c3ccc(NC(C)=O)cc3)[C@@]21C#N ZINC000103558376 521695656 /nfs/dbraw/zinc/69/56/56/521695656.db2.gz MBGYGJSJKDGOIS-NJAFHUGGSA-N 0 0 399.545 3.293 10 30 GGEERN CCNC(=O)COc1ccc(/C=C2/COc3ccccc3C2=O)cc1OCC ZINC000096767428 521738456 /nfs/dbraw/zinc/73/84/56/521738456.db2.gz CQZLVWQMEFAAGG-WJDWOHSUSA-N 0 0 381.428 3.259 10 30 GGEERN CN(C)S(=O)(=O)c1ccc(C(=O)/C=C\c2ccc(-n3ccnc3)cc2)cc1 ZINC000096843641 521974119 /nfs/dbraw/zinc/97/41/19/521974119.db2.gz HSSQGNZXAKDEKH-XGICHPGQSA-N 0 0 381.457 3.019 10 30 GGEERN CN(C)c1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000006570679 522128162 /nfs/dbraw/zinc/12/81/62/522128162.db2.gz OJYIVWRSCCSUJK-ONNFQVAWSA-N 0 0 381.432 3.394 10 30 GGEERN CN(C)c1ccc(C=[NH+][N-]c2nnc(SCC(=O)c3ccccc3)[nH]2)cc1 ZINC000005929924 522135346 /nfs/dbraw/zinc/13/53/46/522135346.db2.gz SQOOMONQIBZIPL-UDWIEESQSA-N 0 0 380.477 3.292 10 30 GGEERN CN(CCC#N)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000020441598 522673991 /nfs/dbraw/zinc/67/39/91/522673991.db2.gz QDVCJEFLQYALKS-SFHVURJKSA-N 0 0 377.897 3.205 10 30 GGEERN CC[C@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)Nc1ccc(F)cc1 ZINC000012722071 522830965 /nfs/dbraw/zinc/83/09/65/522830965.db2.gz AOZFRNBMSQUJMA-KRWDZBQOSA-N 0 0 383.379 3.252 10 30 GGEERN COc1ccc(/C=C\C(=O)c2cc(Br)ccc(=O)c2O)cc1OC ZINC000097474834 523432137 /nfs/dbraw/zinc/43/21/37/523432137.db2.gz JYJAITQMASHBJO-UTCJRWHESA-N 0 0 391.217 3.428 10 30 GGEERN COc1ccc(C(=O)/C=C\c2ccc(NC(C)=O)cc2)cc1CN1CCOCC1 ZINC000096765876 523545159 /nfs/dbraw/zinc/54/51/59/523545159.db2.gz YBPYASRXWPPYLA-UITAMQMPSA-N 0 0 394.471 3.382 10 30 GGEERN COc1ccc(C(=O)NC(=O)CSc2nc3ccccc3n2CCC#N)cc1 ZINC000006647515 523679168 /nfs/dbraw/zinc/67/91/68/523679168.db2.gz STIKAXWDBBZBNX-UHFFFAOYSA-N 0 0 394.456 3.007 10 30 GGEERN N[C@](C(=O)NCCSC(F)(F)F)(c1cc(F)cc(F)c1)C(F)(F)F ZINC000225704378 534733145 /nfs/dbraw/zinc/73/31/45/534733145.db2.gz DWKRMYSXKFMWJX-JTQLQIEISA-N 0 0 382.276 3.050 10 30 GGEERN CN(C)/C=C(/C(=O)C(Cl)(Cl)Cl)c1nnnn1-c1ccc(Cl)cc1 ZINC000036533042 523967579 /nfs/dbraw/zinc/96/75/79/523967579.db2.gz FELCURHHOWKTFM-YFHOEESVSA-N 0 0 395.077 3.158 10 30 GGEERN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)Cc1cn2ccsc2n1 ZINC000018192997 524033562 /nfs/dbraw/zinc/03/35/62/524033562.db2.gz XFEDVOFPDXNSGQ-WQRHYEAKSA-N 0 0 395.484 3.362 10 30 GGEERN Cc1ccc(C)c(OCCO/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000022351706 524175931 /nfs/dbraw/zinc/17/59/31/524175931.db2.gz UYAALBLCIOXQMQ-PXLXIMEGSA-N 0 0 399.447 3.478 10 30 GGEERN Cc1cc(C)c(C(=O)C=Cc2ccc(I)cc2)c(=O)[nH]1 ZINC000033391091 524218908 /nfs/dbraw/zinc/21/89/08/524218908.db2.gz ARDDROSQGZRJDO-YVMONPNESA-N 0 0 379.197 3.492 10 30 GGEERN Cc1cccc(C)c1NC1=NNC(=C2C=CC(=NS(C)(=O)=O)C=C2)CS1 ZINC000009591468 524300387 /nfs/dbraw/zinc/30/03/87/524300387.db2.gz YPEZHYJEILYGJY-UHFFFAOYSA-N 0 0 388.518 3.103 10 30 GGEERN COc1ccccc1N(CCC#N)C(=O)CSc1nncn1-c1ccccc1 ZINC000004835180 524528761 /nfs/dbraw/zinc/52/87/61/524528761.db2.gz ZWCRWGFDHIKUPH-UHFFFAOYSA-N 0 0 393.472 3.315 10 30 GGEERN COc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N\c3ccc(F)cc3)S2)cc1 ZINC000100361348 524591821 /nfs/dbraw/zinc/59/18/21/524591821.db2.gz PSJKNWPBTNWWON-QKDOTCOFSA-N 0 0 387.436 3.424 10 30 GGEERN Cc1ccccc1-n1nnnc1S[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000005353088 525038544 /nfs/dbraw/zinc/03/85/44/525038544.db2.gz ZPRCXMMCQOVMMK-MRXNPFEDSA-N 0 0 392.488 3.398 10 30 GGEERN COc1cccc(/C=C\C(=O)c2cc(Br)ccc(=O)c2O)c1OC ZINC000097474832 525770002 /nfs/dbraw/zinc/77/00/02/525770002.db2.gz BXERHTFLZJTXRT-VURMDHGXSA-N 0 0 391.217 3.428 10 30 GGEERN Cc1cc(CN=Nc2ncnc(N)c2[N+](=O)[O-])c(C)n1-c1ccc(C)cc1C ZINC000005447075 526096717 /nfs/dbraw/zinc/09/67/17/526096717.db2.gz ZJIBNDOSRCLXRV-NUGSKGIGSA-N 0 0 379.424 3.437 10 30 GGEERN N#CCCn1cc(/C=C\C(=O)N2CCN(c3ccccn3)CC2)c2ccccc21 ZINC000096536724 526466104 /nfs/dbraw/zinc/46/61/04/526466104.db2.gz PSKUWSKDTGZFLO-KTKRTIGZSA-N 0 0 385.471 3.312 10 30 GGEERN NC(=O)CC1S/C(=N\c2ccccc2)N(CCc2ccc(Cl)cc2)C1=O ZINC000020508858 526909787 /nfs/dbraw/zinc/90/97/87/526909787.db2.gz DSLYGNABNJKBTK-BWORXHKJSA-N 0 0 387.892 3.390 10 30 GGEERN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccn1)c1ccc(F)cc1 ZINC000103125262 526955449 /nfs/dbraw/zinc/95/54/49/526955449.db2.gz UFCWSYFXRZXPEL-LAFOYAEKSA-N 0 0 389.386 3.238 10 30 GGEERN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000059105715 527042560 /nfs/dbraw/zinc/04/25/60/527042560.db2.gz XILPDJAHGMWMLJ-GIDUJCDVSA-N 0 0 387.348 3.354 10 30 GGEERN NC1=C(c2nc(-c3cccc(Cl)c3)cs2)C(=O)CN1C[C@H]1CCCO1 ZINC000034769924 527136500 /nfs/dbraw/zinc/13/65/00/527136500.db2.gz JBMCNMYHMPNJPP-CYBMUJFWSA-N 0 0 375.881 3.155 10 30 GGEERN O=C(Cc1ccc2c(c1)OCCO2)N1CCS/C1=N\CCc1ccccc1 ZINC000006787396 527250818 /nfs/dbraw/zinc/25/08/18/527250818.db2.gz ATKPIFQHUOISRJ-DQRAZIAOSA-N 0 0 382.485 3.174 10 30 GGEERN C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cc(C)on1 ZINC000003402682 527325936 /nfs/dbraw/zinc/32/59/36/527325936.db2.gz MAJFJKGMNXIHNM-UHFFFAOYSA-N 0 0 399.476 3.379 10 30 GGEERN C=CCn1c(N)nnc1SCc1nnc(-c2ccccc2C(F)(F)F)o1 ZINC000031853929 527328612 /nfs/dbraw/zinc/32/86/12/527328612.db2.gz ACOTVEIUVYPVOJ-UHFFFAOYSA-N 0 0 382.371 3.407 10 30 GGEERN O=C(/C=C/c1cc2ccccc2[nH]c1=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000027542904 527602840 /nfs/dbraw/zinc/60/28/40/527602840.db2.gz LMXYHYLQNZZIER-SOFGYWHQSA-N 0 0 378.403 3.400 10 30 GGEERN Cc1nn(C)c(C)c1/C=C\C(=O)OCC(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000096401109 527603445 /nfs/dbraw/zinc/60/34/45/527603445.db2.gz VPRCJPIQMCLGOH-DUIDAQPLSA-N 0 0 393.487 3.474 10 30 GGEERN CC(C)c1cc(C(=O)NCCCn2cccnc2=O)c2cnn(C(C)C)c2n1 ZINC000328591864 528006071 /nfs/dbraw/zinc/00/60/71/528006071.db2.gz ZLEUSLCMQAYVHM-UHFFFAOYSA-N 0 0 382.468 3.087 10 30 GGEERN C=CCN([C@@H](C)COC)S(=O)(=O)c1cccc(Br)c1Cl ZINC000657074092 567010766 /nfs/dbraw/zinc/01/07/66/567010766.db2.gz VOCMFAMIJFILFI-JTQLQIEISA-N 0 0 382.707 3.314 10 30 GGEERN N#Cc1ccc(C(=O)Nc2ccc(I)cc2Cl)cn1 ZINC000115027466 564185232 /nfs/dbraw/zinc/18/52/32/564185232.db2.gz IXYBUGNEVFXMJS-UHFFFAOYSA-N 0 0 383.576 3.464 10 30 GGEERN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000115268535 564188802 /nfs/dbraw/zinc/18/88/02/564188802.db2.gz XRSUWSIWYFRBKI-VDBVYFBLSA-N 0 0 376.865 3.496 10 30 GGEERN C=CCn1c(SCC(=O)NC(C)(C)C)nc2sc3c(c2c1=O)CCC3 ZINC000003318925 564195249 /nfs/dbraw/zinc/19/52/49/564195249.db2.gz PHMRZPBRTVBEHG-UHFFFAOYSA-N 0 0 377.535 3.140 10 30 GGEERN C[C@]1(c2ccccc2Br)NC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000003517198 564198427 /nfs/dbraw/zinc/19/84/27/564198427.db2.gz ARHZDKXCQADCCF-GOSISDBHSA-N 0 0 384.233 3.288 10 30 GGEERN N=C(NOS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 ZINC000004300375 564202327 /nfs/dbraw/zinc/20/23/27/564202327.db2.gz JZJHOHVRPKUUOB-UHFFFAOYSA-N 0 0 378.759 3.385 10 30 GGEERN Cc1c(Br)c([N+](=O)[O-])nn1CCCC(=O)Nc1ccc(C#N)cc1 ZINC000004881410 564209687 /nfs/dbraw/zinc/20/96/87/564209687.db2.gz AHDKKWITJWVQMK-UHFFFAOYSA-N 0 0 392.213 3.153 10 30 GGEERN COc1ccccc1C1(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000116447497 564210501 /nfs/dbraw/zinc/21/05/01/564210501.db2.gz BSPZUFJLWSVRMW-UHFFFAOYSA-N 0 0 376.865 3.230 10 30 GGEERN Cc1ccc(S(=O)(=O)N(C)/N=C/c2ccc(O)c(Br)c2)cc1 ZINC000006214001 564221386 /nfs/dbraw/zinc/22/13/86/564221386.db2.gz PVSDZHIVZQDSIL-LICLKQGHSA-N 0 0 383.267 3.118 10 30 GGEERN Cn1c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1C(F)(F)F ZINC000006505099 564224531 /nfs/dbraw/zinc/22/45/31/564224531.db2.gz YSQJWQBMFRLEDA-UHFFFAOYSA-N 0 0 375.763 3.090 10 30 GGEERN CCOC(=O)C1=NN(c2ccccc2)[C@@]2(S1)SC(C(C)=O)=C(C)N2C ZINC000006809983 564228028 /nfs/dbraw/zinc/22/80/28/564228028.db2.gz RVXFLTLPPAKYGZ-QGZVFWFLSA-N 0 0 377.491 3.227 10 30 GGEERN C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCn1cc(C)cn1 ZINC000118079609 564235903 /nfs/dbraw/zinc/23/59/03/564235903.db2.gz NRFNCIKDFVVCCK-UHFFFAOYSA-N 0 0 395.276 3.491 10 30 GGEERN N#Cc1ccc(OC[C@@H](O)CN2CCc3cccc(Br)c3C2)cc1 ZINC000118411247 564239546 /nfs/dbraw/zinc/23/95/46/564239546.db2.gz HWZXIEXPZIIXLZ-INIZCTEOSA-N 0 0 387.277 3.119 10 30 GGEERN C[C@H]1CCC[C@](C#N)(NC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000119073470 564252800 /nfs/dbraw/zinc/25/28/00/564252800.db2.gz FUZLPIAUELTCOG-VOJFVSQTSA-N 0 0 388.265 3.493 10 30 GGEERN N#Cc1ccc(OCCNC(=O)Cc2cc(Br)ccc2F)cc1 ZINC000119091685 564254337 /nfs/dbraw/zinc/25/43/37/564254337.db2.gz HTSXJBNXWBABCW-UHFFFAOYSA-N 0 0 377.213 3.198 10 30 GGEERN CCN(CC)S(=O)(=O)c1ccc(SCc2cc(C#N)ccc2F)nc1 ZINC000010866873 564260402 /nfs/dbraw/zinc/26/04/02/564260402.db2.gz BAJGWFBBFCOBCS-UHFFFAOYSA-N 0 0 379.482 3.415 10 30 GGEERN COc1cccc2c1O/C(=N\O)[C@@H](C(=O)Nc1cccc(Br)c1)C2 ZINC000012473529 564268010 /nfs/dbraw/zinc/26/80/10/564268010.db2.gz UGKXBHPSGXKQKB-PWLTZZKVSA-N 0 0 391.221 3.435 10 30 GGEERN CC(C)Oc1c(Br)cc(Br)cc1C=NNC(N)=S ZINC000013108741 564274663 /nfs/dbraw/zinc/27/46/63/564274663.db2.gz ISLRYAQCJYQFQU-UHFFFAOYSA-N 0 0 395.120 3.166 10 30 GGEERN N#Cc1cccc(CS(=O)(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000119916747 564294938 /nfs/dbraw/zinc/29/49/38/564294938.db2.gz PXHYTRRFEFBYQA-SFHVURJKSA-N 0 0 376.865 3.115 10 30 GGEERN C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2cccc(Cl)c2)c1 ZINC000021911536 564312947 /nfs/dbraw/zinc/31/29/47/564312947.db2.gz OEBQHXCKZFHEOA-ZDUSSCGKSA-N 0 0 378.881 3.295 10 30 GGEERN Cc1cccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1Br ZINC000121015206 564348148 /nfs/dbraw/zinc/34/81/48/564348148.db2.gz GJGVKQFBEVQDFF-UHFFFAOYSA-N 0 0 390.212 3.023 10 30 GGEERN CCOC(=O)Cc1csc(NC(=O)CN2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000026901127 564351600 /nfs/dbraw/zinc/35/16/00/564351600.db2.gz YWDCODPJNYBKRC-SNVBAGLBSA-N 0 0 379.404 3.111 10 30 GGEERN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000029757988 564373954 /nfs/dbraw/zinc/37/39/54/564373954.db2.gz JPPWYYOSYHIQSN-LLVKDONJSA-N 0 0 378.837 3.021 10 30 GGEERN C=CCNC(=O)CSCc1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000029873034 564374657 /nfs/dbraw/zinc/37/46/57/564374657.db2.gz JSQNPGSGHWDBKH-UHFFFAOYSA-N 0 0 377.516 3.249 10 30 GGEERN N#Cc1ccc(OC2CCC(NC(=O)c3coc(Br)c3)CC2)nc1 ZINC000121584741 564375642 /nfs/dbraw/zinc/37/56/42/564375642.db2.gz LFNLLFHDBLLMMF-UHFFFAOYSA-N 0 0 390.237 3.429 10 30 GGEERN N#Cc1ccc(CN2CCN(c3ccc(Br)cn3)CC2)c(F)c1 ZINC000030202175 564377266 /nfs/dbraw/zinc/37/72/66/564377266.db2.gz QRJSQWVBDAWHQI-UHFFFAOYSA-N 0 0 375.245 3.177 10 30 GGEERN N#Cc1cc(Br)cc(S(=O)(=O)N2CCc3ccsc3C2)c1 ZINC000121674557 564380596 /nfs/dbraw/zinc/38/05/96/564380596.db2.gz YDNROQYDDKSFBX-UHFFFAOYSA-N 0 0 383.292 3.129 10 30 GGEERN CCc1c(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)[nH]c(C)c1C(N)=O ZINC000122028183 564397026 /nfs/dbraw/zinc/39/70/26/564397026.db2.gz TUARZJITXFWEBV-CYBMUJFWSA-N 0 0 379.247 3.286 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NC2(c3ccc(Cl)cc3)CCOCC2)cc1 ZINC000122266127 564406924 /nfs/dbraw/zinc/40/69/24/564406924.db2.gz SEYCUNOYUYDTST-UHFFFAOYSA-N 0 0 376.865 3.196 10 30 GGEERN C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(Cl)s2)c1 ZINC000033192239 564411853 /nfs/dbraw/zinc/41/18/53/564411853.db2.gz SYQIQIFLQVPJTC-LLVKDONJSA-N 0 0 384.910 3.357 10 30 GGEERN CN1c2ccc(Br)cc2[C@@](O)(CC(=O)C=Cc2ccccc2)C1=O ZINC000035242009 564415505 /nfs/dbraw/zinc/41/55/05/564415505.db2.gz COTKAJPNMKURPV-FUKPKEADSA-N 0 0 386.245 3.286 10 30 GGEERN N#Cc1ccc(OCCNC(=O)c2cc(F)c(F)cc2Br)cc1 ZINC000123086348 564437791 /nfs/dbraw/zinc/43/77/91/564437791.db2.gz WHDDKGKZEFHXIM-UHFFFAOYSA-N 0 0 381.176 3.408 10 30 GGEERN N#Cc1cccc(NC(=O)N2CCN(c3ccc(Br)cn3)CC2)c1 ZINC000043329590 564457403 /nfs/dbraw/zinc/45/74/03/564457403.db2.gz ODUIBZTXMRECNE-UHFFFAOYSA-N 0 0 386.253 3.070 10 30 GGEERN N#Cc1c(N)n[nH]c1CCCNC(=O)Nc1ccc(Br)cc1Cl ZINC000043420525 564458403 /nfs/dbraw/zinc/45/84/03/564458403.db2.gz QYZHUJLJIDGODM-UHFFFAOYSA-N 0 0 397.664 3.034 10 30 GGEERN CC[C@@H](C#N)NC(=O)[C@H](CCSC)NC(=O)c1ccc(Cl)cc1Cl ZINC000123893296 564465425 /nfs/dbraw/zinc/46/54/25/564465425.db2.gz LCWQTGISDCEVLD-FZMZJTMJSA-N 0 0 388.320 3.263 10 30 GGEERN C[C@H](NC(=O)c1ccc(C#N)nc1)c1nc(-c2ccc(Br)cc2)no1 ZINC000124274984 564476983 /nfs/dbraw/zinc/47/69/83/564476983.db2.gz KYJXNGJXNBWLPG-JTQLQIEISA-N 0 0 398.220 3.257 10 30 GGEERN C=CCN(Cc1cccs1)C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000045303482 564481473 /nfs/dbraw/zinc/48/14/73/564481473.db2.gz MDQNLNXSYKESFA-INIZCTEOSA-N 0 0 376.503 3.364 10 30 GGEERN C[C@H](Oc1ccccc1C#N)C(=O)NCCNc1ncc(Cl)cc1Cl ZINC000047162989 564514637 /nfs/dbraw/zinc/51/46/37/564514637.db2.gz OSOQXTWVDMHLAP-NSHDSACASA-N 0 0 379.247 3.256 10 30 GGEERN Cc1ccc(C(=O)N[C@H](C)C#N)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000125730561 564524777 /nfs/dbraw/zinc/52/47/77/564524777.db2.gz WTQSHLCMPNDDAV-GFCCVEGCSA-N 0 0 377.853 3.091 10 30 GGEERN C[C@H]1CSc2ccccc2N1S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000126028259 564533865 /nfs/dbraw/zinc/53/38/65/564533865.db2.gz ZOUAMAHYNIBUOM-NSHDSACASA-N 0 0 375.431 3.156 10 30 GGEERN C[C@@H]1CSc2ccccc2N1S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000126028125 564534185 /nfs/dbraw/zinc/53/41/85/564534185.db2.gz ZOUAMAHYNIBUOM-LLVKDONJSA-N 0 0 375.431 3.156 10 30 GGEERN CC1(C)C[C@H]1C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000126246264 564541899 /nfs/dbraw/zinc/54/18/99/564541899.db2.gz VSEIHBVBEDZJDI-JKSUJKDBSA-N 0 0 376.298 3.204 10 30 GGEERN N#Cc1ccc(NC(=O)c2cc(I)c(F)cc2F)nc1 ZINC000126539335 564552271 /nfs/dbraw/zinc/55/22/71/564552271.db2.gz CHRFPDOEYCQFFL-UHFFFAOYSA-N 0 0 385.111 3.088 10 30 GGEERN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1c[nH]c(=O)cc1C ZINC000126800749 564562966 /nfs/dbraw/zinc/56/29/66/564562966.db2.gz WLNLKUNQUQWRLB-UHFFFAOYSA-N 0 0 379.229 3.413 10 30 GGEERN N#Cc1c(Cl)nsc1N1CCN(c2ccc(Br)cn2)CC1 ZINC000052005142 564568433 /nfs/dbraw/zinc/56/84/33/564568433.db2.gz GZTOVDJQWBWWMN-UHFFFAOYSA-N 0 0 384.690 3.152 10 30 GGEERN COC(=O)C[C@@H](NC(=O)c1cccc(C#N)c1)c1cccc(Br)c1 ZINC000053412817 564587871 /nfs/dbraw/zinc/58/78/71/564587871.db2.gz DAYKSQMGHQXXIN-MRXNPFEDSA-N 0 0 387.233 3.355 10 30 GGEERN CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCCC1CC1 ZINC000127928556 564600604 /nfs/dbraw/zinc/60/06/04/564600604.db2.gz YRGYYZMFUYSLFC-UHFFFAOYSA-N 0 0 381.270 3.405 10 30 GGEERN N#Cc1cc(S(=O)(=O)N(CCCO)Cc2cccc(Cl)c2)ccc1Cl ZINC000128289959 564614721 /nfs/dbraw/zinc/61/47/21/564614721.db2.gz HOEHKLJFMJRBJP-UHFFFAOYSA-N 0 0 399.299 3.438 10 30 GGEERN CN(Cc1ccc(Br)o1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000055238468 564616924 /nfs/dbraw/zinc/61/69/24/564616924.db2.gz JUEZBOHDTZZEOJ-UHFFFAOYSA-N 0 0 389.658 3.388 10 30 GGEERN CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000128428058 564618369 /nfs/dbraw/zinc/61/83/69/564618369.db2.gz JMMZNPWZKFHPKI-VIFPVBQESA-N 0 0 392.175 3.215 10 30 GGEERN O=C(N=C1NCC(=O)N1)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC000055316796 564619242 /nfs/dbraw/zinc/61/92/42/564619242.db2.gz GVQBZWPAYSMOSH-UHFFFAOYSA-N 0 0 392.184 3.436 10 30 GGEERN C[C@@]1(c2cccc(C#N)c2)NC(=O)N(Cc2csc(Br)c2)C1=O ZINC000128487354 564619730 /nfs/dbraw/zinc/61/97/30/564619730.db2.gz GWPYMWZZKKWBMG-INIZCTEOSA-N 0 0 390.262 3.349 10 30 GGEERN C[C@]1(c2cccc(C#N)c2)NC(=O)N(Cc2csc(Br)c2)C1=O ZINC000128487566 564620377 /nfs/dbraw/zinc/62/03/77/564620377.db2.gz GWPYMWZZKKWBMG-MRXNPFEDSA-N 0 0 390.262 3.349 10 30 GGEERN COc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1OC ZINC000056093230 564640726 /nfs/dbraw/zinc/64/07/26/564640726.db2.gz JYYRMWWOKLAESV-NSHDSACASA-N 0 0 380.853 3.268 10 30 GGEERN C=CCOc1ccc(C(=O)Nc2c[nH]cc(Br)c2=O)cc1OC ZINC000129623121 564654491 /nfs/dbraw/zinc/65/44/91/564654491.db2.gz ZADWEWKJHIMLJP-UHFFFAOYSA-N 0 0 379.210 3.375 10 30 GGEERN N#Cc1cc(S(=O)(=O)N(Cc2ccco2)C[C@@H]2CCCO2)ccc1Cl ZINC000057019311 564656926 /nfs/dbraw/zinc/65/69/26/564656926.db2.gz VSSXNVBITCCYEQ-HNNXBMFYSA-N 0 0 380.853 3.175 10 30 GGEERN C=CCN(Cc1noc(-c2ccccc2C)n1)S(=O)(=O)c1cccs1 ZINC000130224466 564673873 /nfs/dbraw/zinc/67/38/73/564673873.db2.gz UURALALVMJILSM-UHFFFAOYSA-N 0 0 375.475 3.483 10 30 GGEERN C[C@]1(c2ccccc2)CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CCO1 ZINC000130928657 564695692 /nfs/dbraw/zinc/69/56/92/564695692.db2.gz UBQVLAQHQQKRHX-GOSISDBHSA-N 0 0 376.865 3.148 10 30 GGEERN N#Cc1cccnc1N1CCN(C(=O)Cc2cc(Cl)ccc2Cl)CC1 ZINC000131675148 564720134 /nfs/dbraw/zinc/72/01/34/564720134.db2.gz BEZAMGLMJPVQGS-UHFFFAOYSA-N 0 0 375.259 3.151 10 30 GGEERN C=CCNC(=O)CSCCCOc1cccc(I)c1 ZINC000063650126 564720322 /nfs/dbraw/zinc/72/03/22/564720322.db2.gz AQZRYKWRUYVHAD-UHFFFAOYSA-N 0 0 391.274 3.096 10 30 GGEERN N#Cc1cccc(NC(=O)C[S@@](=O)Cc2csc(Br)c2)c1 ZINC000064830553 564735426 /nfs/dbraw/zinc/73/54/26/564735426.db2.gz FZVCHKQRKYCXLL-OAQYLSRUSA-N 0 0 383.292 3.270 10 30 GGEERN CC(C)(C)OC(=O)CSCC(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000132408393 564742476 /nfs/dbraw/zinc/74/24/76/564742476.db2.gz FXVCZDLWFRYFHL-ZDUSSCGKSA-N 0 0 399.310 3.205 10 30 GGEERN N#CCSCC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000065781977 564749152 /nfs/dbraw/zinc/74/91/52/564749152.db2.gz NTXJGHDIUAQECY-UHFFFAOYSA-N 0 0 382.272 3.399 10 30 GGEERN C=CCN(CC(F)(F)F)C(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1 ZINC000066292210 564760730 /nfs/dbraw/zinc/76/07/30/564760730.db2.gz HRZZBUPTDKWCLH-LLVKDONJSA-N 0 0 378.391 3.463 10 30 GGEERN CCC(CC)CN(CCC#N)S(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000133041685 564761123 /nfs/dbraw/zinc/76/11/23/564761123.db2.gz CTROQXNQKLZIEQ-UHFFFAOYSA-N 0 0 386.901 3.467 10 30 GGEERN Cc1cc(S(N)(=O)=O)sc1C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000066856292 564776454 /nfs/dbraw/zinc/77/64/54/564776454.db2.gz ZGLBHJGMABUUEP-LLVKDONJSA-N 0 0 395.531 3.351 10 30 GGEERN C[C@@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000066934443 564779155 /nfs/dbraw/zinc/77/91/55/564779155.db2.gz OMRJADAEUSFZFO-FZKQIMNGSA-N 0 0 376.865 3.362 10 30 GGEERN CC(=O)NCc1ccc(C(=O)Nc2n[nH]c(-c3ccccc3Cl)n2)s1 ZINC000067574715 564794917 /nfs/dbraw/zinc/79/49/17/564794917.db2.gz UTDMGNCQPGLBJA-UHFFFAOYSA-N 0 0 375.841 3.459 10 30 GGEERN Cc1csc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)n1 ZINC000067857777 564800295 /nfs/dbraw/zinc/80/02/95/564800295.db2.gz FKYQBPGXEMGWBQ-CYBMUJFWSA-N 0 0 377.491 3.020 10 30 GGEERN C=CCc1cc(C(=O)Nc2cc(Br)c[nH]c2=O)cc(OC)c1OC ZINC000067937397 564803333 /nfs/dbraw/zinc/80/33/33/564803333.db2.gz GVAGJNSFQYLDML-UHFFFAOYSA-N 0 0 393.237 3.135 10 30 GGEERN CSc1ccsc1C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000068102943 564808392 /nfs/dbraw/zinc/80/83/92/564808392.db2.gz MCTNHGXXESSZDX-CYBMUJFWSA-N 0 0 389.527 3.495 10 30 GGEERN C=CCCCN(C)C(=O)c1cc(OC)c(OC)cc1I ZINC000135080645 564824061 /nfs/dbraw/zinc/82/40/61/564824061.db2.gz QLDYSOSDYMJNLS-UHFFFAOYSA-N 0 0 389.233 3.347 10 30 GGEERN C[C@H](C#N)NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000068926095 564829471 /nfs/dbraw/zinc/82/94/71/564829471.db2.gz GGPPLVMLBSFZGT-SNVBAGLBSA-N 0 0 398.271 3.436 10 30 GGEERN CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1nc(C2CC2)no1 ZINC000069128406 564833527 /nfs/dbraw/zinc/83/35/27/564833527.db2.gz XPDQFIONPABFGP-AWEZNQCLSA-N 0 0 380.857 3.148 10 30 GGEERN C=CCN(Cc1cc(Br)ccc1F)S(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000135556814 564834701 /nfs/dbraw/zinc/83/47/01/564834701.db2.gz GPMKHWFMHFGBRN-XHDPSFHLSA-N 0 0 392.290 3.083 10 30 GGEERN C=CCCCN(C)C(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000135655547 564838426 /nfs/dbraw/zinc/83/84/26/564838426.db2.gz FDNNWVZRZLHZAP-UHFFFAOYSA-N 0 0 377.535 3.131 10 30 GGEERN C=CCCCN(C)C(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000135653907 564838443 /nfs/dbraw/zinc/83/84/43/564838443.db2.gz HJQOSSMLWMNXCL-UHFFFAOYSA-N 0 0 384.548 3.326 10 30 GGEERN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000135744084 564839824 /nfs/dbraw/zinc/83/98/24/564839824.db2.gz UASAVFZMZWZWRH-SJCJKPOMSA-N 0 0 376.865 3.224 10 30 GGEERN C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000135742266 564839973 /nfs/dbraw/zinc/83/99/73/564839973.db2.gz YTSJSDBVHIXDSE-SGTLLEGYSA-N 0 0 376.865 3.224 10 30 GGEERN C[C@H]([C@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000135757561 564839997 /nfs/dbraw/zinc/83/99/97/564839997.db2.gz HHDVEGOFCUTIFT-SJKOYZFVSA-N 0 0 376.865 3.224 10 30 GGEERN N#Cc1ccc(C(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)cn1 ZINC000136850340 564855371 /nfs/dbraw/zinc/85/53/71/564855371.db2.gz VLRUPOUADBJXGF-UHFFFAOYSA-N 0 0 399.292 3.110 10 30 GGEERN CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1csc(Br)c1 ZINC000136851668 564855463 /nfs/dbraw/zinc/85/54/63/564855463.db2.gz VPZCFTWAYSHACG-UHFFFAOYSA-N 0 0 397.254 3.050 10 30 GGEERN CCCCOCCN(CC(=O)N(C)CCC#N)c1cccc(Br)c1 ZINC000072289501 564862191 /nfs/dbraw/zinc/86/21/91/564862191.db2.gz BOAPUCBGDAYXPN-UHFFFAOYSA-N 0 0 396.329 3.444 10 30 GGEERN N#Cc1ccc(CNC(=O)NCc2ccc(O)c(Br)c2)c(F)c1 ZINC000139046787 564867973 /nfs/dbraw/zinc/86/79/73/564867973.db2.gz SEWMIZOTAJVAJQ-UHFFFAOYSA-N 0 0 378.201 3.165 10 30 GGEERN CCCN(Cc1ccc(C#N)cc1)C(=O)c1cnn2cc(Br)cnc12 ZINC000093931347 564894948 /nfs/dbraw/zinc/89/49/48/564894948.db2.gz RFXGYNLFJILIOI-UHFFFAOYSA-N 0 0 398.264 3.416 10 30 GGEERN C=CCN(Cc1ccccc1F)C(=O)c1cnn2cc(Br)cnc12 ZINC000094035083 564895731 /nfs/dbraw/zinc/89/57/31/564895731.db2.gz WYCJKLHECSYXEC-UHFFFAOYSA-N 0 0 389.228 3.459 10 30 GGEERN N#C[C@@H](NC(=O)c1cnn2cc(Br)cnc12)c1ccc(Cl)cc1 ZINC000094123337 564897217 /nfs/dbraw/zinc/89/72/17/564897217.db2.gz YFEZRACLRVYDJR-CYBMUJFWSA-N 0 0 390.628 3.140 10 30 GGEERN CCC(CC)CN(CCC#N)C(=O)c1cnn2cc(Br)cnc12 ZINC000094122091 564897398 /nfs/dbraw/zinc/89/73/98/564897398.db2.gz VZUCBAPNFQKEPM-UHFFFAOYSA-N 0 0 378.274 3.284 10 30 GGEERN N#Cc1ccc(OCCNc2cc(Br)cc(F)c2C(N)=O)cc1 ZINC000094168207 564898784 /nfs/dbraw/zinc/89/87/84/564898784.db2.gz NAUPZUMNOVRSNF-UHFFFAOYSA-N 0 0 378.201 3.050 10 30 GGEERN N#Cc1cc(F)ccc1S(=O)(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000151872583 564940090 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N#Cc1ccc(CNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c(F)c1 ZINC000105621242 564970476 /nfs/dbraw/zinc/97/04/76/564970476.db2.gz SFWCDBZGPHOIEL-UHFFFAOYSA-N 0 0 376.306 3.334 10 30 GGEERN C=CCn1c(SCc2nnnn2C(C)C)nc2cc(Cl)ccc2c1=O ZINC000107075997 564993942 /nfs/dbraw/zinc/99/39/42/564993942.db2.gz NVPJBDKZWCUDLI-UHFFFAOYSA-N 0 0 376.873 3.096 10 30 GGEERN N#C[C@H](NC(=O)c1ccc(-c2ncon2)cc1)c1cccc(Br)c1 ZINC000107240327 564997400 /nfs/dbraw/zinc/99/74/00/564997400.db2.gz NKVFPBUSOWQIMU-HNNXBMFYSA-N 0 0 383.205 3.494 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCc2csc(-c3ccco3)n2)ccc1Cl ZINC000153649798 565004701 /nfs/dbraw/zinc/00/47/01/565004701.db2.gz AVRJHGPZOKPVKN-UHFFFAOYSA-N 0 0 379.850 3.407 10 30 GGEERN COC(=O)c1ccc(S(=O)(=O)N(CCC#N)c2ccccc2)c(Cl)c1 ZINC000108760248 565016343 /nfs/dbraw/zinc/01/63/43/565016343.db2.gz NMLRGHBSNBWLOZ-UHFFFAOYSA-N 0 0 378.837 3.236 10 30 GGEERN N#CCCN(c1ccccc1)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000108760017 565016672 /nfs/dbraw/zinc/01/66/72/565016672.db2.gz 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ZINC000111223685 565050864 /nfs/dbraw/zinc/05/08/64/565050864.db2.gz VJNDTERBFSEWJK-BBRMVZONSA-N 0 0 384.307 3.453 10 30 GGEERN Cc1ccccc1C(=O)NCC(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000154875016 565055484 /nfs/dbraw/zinc/05/54/84/565055484.db2.gz HIQMHSMAAKINHK-OAHLLOKOSA-N 0 0 376.243 3.413 10 30 GGEERN C=CCn1c(SC[C@@H](C)CS(C)(=O)=O)nc2sc(C)c(C)c2c1=O ZINC000154927230 565057310 /nfs/dbraw/zinc/05/73/10/565057310.db2.gz HOLNSZAFBXFCJE-SNVBAGLBSA-N 0 0 386.564 3.034 10 30 GGEERN COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)c1sccc1C#N ZINC000155059723 565060655 /nfs/dbraw/zinc/06/06/55/565060655.db2.gz IIFMZBXCPIPIJL-ZDUSSCGKSA-N 0 0 393.262 3.369 10 30 GGEERN N#Cc1ccsc1C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000155239667 565064924 /nfs/dbraw/zinc/06/49/24/565064924.db2.gz XSIGMIWOEXHKOM-UHFFFAOYSA-N 0 0 390.306 3.340 10 30 GGEERN C[C@@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000112624751 565064988 /nfs/dbraw/zinc/06/49/88/565064988.db2.gz JIJDFYLZLAWOSB-CXAGYDPISA-N 0 0 376.865 3.362 10 30 GGEERN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1nc(C)c(C)[nH]c1=O ZINC000155271598 565065413 /nfs/dbraw/zinc/06/54/13/565065413.db2.gz GTAUTBYAJSXPLN-UHFFFAOYSA-N 0 0 394.244 3.117 10 30 GGEERN N#Cc1ccc(C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000155295372 565065824 /nfs/dbraw/zinc/06/58/24/565065824.db2.gz RNTBTUYUJMQRBF-UHFFFAOYSA-N 0 0 384.277 3.279 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)N(C)c1ccccc1 ZINC000155371148 565066806 /nfs/dbraw/zinc/06/68/06/565066806.db2.gz IAVZOUSNLAMEDO-UHFFFAOYSA-N 0 0 375.222 3.371 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)NCc1ccc(F)cc1 ZINC000155376113 565066951 /nfs/dbraw/zinc/06/69/51/565066951.db2.gz BOTHIXAXMMQLQU-UHFFFAOYSA-N 0 0 393.212 3.164 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CCCC[C@H]1C ZINC000155380235 565066962 /nfs/dbraw/zinc/06/69/62/565066962.db2.gz BDQBDZMWLINNHE-RISCZKNCSA-N 0 0 381.270 3.403 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)NCc1sccc1C ZINC000155378188 565066970 /nfs/dbraw/zinc/06/69/70/565066970.db2.gz JVQDLJXAXHLMMD-UHFFFAOYSA-N 0 0 395.278 3.395 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCC(=O)NC1CCC(C)CC1 ZINC000155385806 565066993 /nfs/dbraw/zinc/06/69/93/565066993.db2.gz ZMWZNWLWOAVIOB-UHFFFAOYSA-N 0 0 381.270 3.403 10 30 GGEERN C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000112908210 565067078 /nfs/dbraw/zinc/06/70/78/565067078.db2.gz FPONCRAOUOYZPP-NHYWBVRUSA-N 0 0 376.243 3.493 10 30 GGEERN C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000112910699 565067080 /nfs/dbraw/zinc/06/70/80/565067080.db2.gz CXJYQYNYLALRNO-BZNIZROVSA-N 0 0 376.243 3.493 10 30 GGEERN CCS(=O)(=O)c1ccc(CC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)cc1 ZINC000113177377 565068240 /nfs/dbraw/zinc/06/82/40/565068240.db2.gz SPCAFYGUHPLYMD-KRWDZBQOSA-N 0 0 376.865 3.057 10 30 GGEERN CCc1csc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)c(C#N)c3)C2)n1 ZINC000113944368 565071618 /nfs/dbraw/zinc/07/16/18/565071618.db2.gz AWSNYEFJIOCJJI-GFCCVEGCSA-N 0 0 379.482 3.285 10 30 GGEERN N#Cc1ccccc1N1CCN(C(=O)Cc2ccc(Br)s2)CC1 ZINC000114257556 565073270 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N#C[C@H]1CN(C(=O)Nc2ccc(Br)cc2Cl)CCN1C1CC1 ZINC000369219178 565082052 /nfs/dbraw/zinc/08/20/52/565082052.db2.gz MQVYRSPYJWOKLQ-LBPRGKRZSA-N 0 0 383.677 3.307 10 30 GGEERN Cc1cc(Br)ccc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000183650643 565085059 /nfs/dbraw/zinc/08/50/59/565085059.db2.gz OPPZYIVLJILHES-UHFFFAOYSA-N 0 0 382.221 3.462 10 30 GGEERN N#Cc1cccnc1-n1cc(NC(=O)c2cc(Br)ccc2F)cn1 ZINC000183672585 565085814 /nfs/dbraw/zinc/08/58/14/565085814.db2.gz ZMPTWSVRJNERQQ-UHFFFAOYSA-N 0 0 386.184 3.293 10 30 GGEERN N#Cc1cccnc1-n1cc(NC(=O)Cc2cccc(Br)c2)cn1 ZINC000183684105 565087702 /nfs/dbraw/zinc/08/77/02/565087702.db2.gz VKZHXJHATBXHGH-UHFFFAOYSA-N 0 0 382.221 3.083 10 30 GGEERN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1onc(C)c1C ZINC000267088877 565103657 /nfs/dbraw/zinc/10/36/57/565103657.db2.gz LRPFTVVYQBBNIH-UHFFFAOYSA-N 0 0 394.225 3.342 10 30 GGEERN C[C@@]12CCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]1C2(F)F ZINC000292271046 565107554 /nfs/dbraw/zinc/10/75/54/565107554.db2.gz LAGUZMYTAYGIOP-QWHCGFSZSA-N 0 0 380.338 3.243 10 30 GGEERN N#Cc1cc(S(=O)(=O)Nc2cc3c(cc2F)NC(=O)CC3)ccc1Cl ZINC000156942953 565112283 /nfs/dbraw/zinc/11/22/83/565112283.db2.gz KRCNCUPXZUTUTI-UHFFFAOYSA-N 0 0 379.800 3.036 10 30 GGEERN N#Cc1ccc(Br)cc1NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000184055820 565112537 /nfs/dbraw/zinc/11/25/37/565112537.db2.gz JJIFOPYYDRVOPH-GFCCVEGCSA-N 0 0 376.254 3.050 10 30 GGEERN C[C@](C#N)(NC(=O)CN1CCC[C@H]1c1ccc(Br)s1)C1CC1 ZINC000369908672 565117988 /nfs/dbraw/zinc/11/79/88/565117988.db2.gz AMJYMPISSYUDEB-BLLLJJGKSA-N 0 0 382.327 3.456 10 30 GGEERN Cc1nc(C(F)(F)F)c(CN(c2ccc(C#N)cc2)S(C)(=O)=O)s1 ZINC000184196696 565119259 /nfs/dbraw/zinc/11/92/59/565119259.db2.gz ZENGWVWFIRUTRO-UHFFFAOYSA-N 0 0 375.397 3.308 10 30 GGEERN N#Cc1ccc(Cl)c(S(=O)(=O)NCCCCOCc2ccccc2)c1 ZINC000184277554 565125137 /nfs/dbraw/zinc/12/51/37/565125137.db2.gz KJRUGGWODWVEDI-UHFFFAOYSA-N 0 0 378.881 3.487 10 30 GGEERN N#Cc1cnc(NC2(Cc3ccc(F)cc3Br)CCOCC2)cn1 ZINC000292681049 565128232 /nfs/dbraw/zinc/12/82/32/565128232.db2.gz BHKMSLMUDSUCIC-UHFFFAOYSA-N 0 0 391.244 3.454 10 30 GGEERN N#Cc1ccsc1NC(=O)CN[C@@H]1CCOc2c(Br)cccc21 ZINC000370292927 565136851 /nfs/dbraw/zinc/13/68/51/565136851.db2.gz APCNMFOMUDGZQR-CYBMUJFWSA-N 0 0 392.278 3.434 10 30 GGEERN C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H]1c1ccc(Br)cc1 ZINC000370286629 565137267 /nfs/dbraw/zinc/13/72/67/565137267.db2.gz XJQRFKGCUADGJV-DOMZBBRYSA-N 0 0 386.315 3.065 10 30 GGEERN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000268114013 565140313 /nfs/dbraw/zinc/14/03/13/565140313.db2.gz BEOZXXJNGTVENN-CYBMUJFWSA-N 0 0 381.523 3.122 10 30 GGEERN C=CCn1c(SCc2nc(N(C)C)no2)nc2sc(C)c(C)c2c1=O ZINC000184537108 565142867 /nfs/dbraw/zinc/14/28/67/565142867.db2.gz LNIYYTWNUJPAOC-UHFFFAOYSA-N 0 0 377.495 3.002 10 30 GGEERN CC[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1nccs1 ZINC000157832705 565144642 /nfs/dbraw/zinc/14/46/42/565144642.db2.gz LTXMBMAAQYPKHM-LLVKDONJSA-N 0 0 375.397 3.463 10 30 GGEERN C=CC[C@H](CO)NC(=O)Nc1cc(OCC)c(OCC)cc1Br ZINC000184587981 565147114 /nfs/dbraw/zinc/14/71/14/565147114.db2.gz KQSQPVFUKQNBRU-LLVKDONJSA-N 0 0 387.274 3.305 10 30 GGEERN N#CC1CCC(CNc2cnn(-c3ccccn3)c(=O)c2Br)CC1 ZINC000293087998 565149607 /nfs/dbraw/zinc/14/96/07/565149607.db2.gz OIJAZDNHWSJJEH-UHFFFAOYSA-N 0 0 388.269 3.132 10 30 GGEERN CSc1nsc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000268627745 565160248 /nfs/dbraw/zinc/16/02/48/565160248.db2.gz NMUWTQCWYOOMQF-UHFFFAOYSA-N 0 0 375.479 3.207 10 30 GGEERN N#Cc1ccc(NC(=O)N2CCCN(Cc3cscn3)CC2)c(Cl)c1 ZINC000269082258 565177769 /nfs/dbraw/zinc/17/77/69/565177769.db2.gz ABYYDPZDLLMCNK-UHFFFAOYSA-N 0 0 375.885 3.408 10 30 GGEERN C=CCn1c(SCc2nsc(N(C)C)n2)nnc1-c1ccc(F)cc1 ZINC000158745451 565180120 /nfs/dbraw/zinc/18/01/20/565180120.db2.gz RSTYMJOUOAVTHM-UHFFFAOYSA-N 0 0 376.486 3.480 10 30 GGEERN CCC1(CC)CN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC[S@]1=O ZINC000185250463 565190581 /nfs/dbraw/zinc/19/05/81/565190581.db2.gz AKOLTJLYVBQGSM-ZJWNCGCPSA-N 0 0 381.929 3.162 10 30 GGEERN CCCNC(=O)CSc1nnc(SCc2ccc(OC)c(C#N)c2)s1 ZINC000269467706 565191766 /nfs/dbraw/zinc/19/17/66/565191766.db2.gz JYKGBPAVJGWKSY-UHFFFAOYSA-N 0 0 394.547 3.329 10 30 GGEERN Cn1nc(Br)cc1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000294018469 565195222 /nfs/dbraw/zinc/19/52/22/565195222.db2.gz NIQLJUUFFKCNNT-UHFFFAOYSA-N 0 0 377.242 3.242 10 30 GGEERN O=C(CCOCC(F)(F)C(F)(F)F)N[C@@H](c1nccs1)C(F)(F)F ZINC000294067792 565197894 /nfs/dbraw/zinc/19/78/94/565197894.db2.gz ZOYGURLLYBNOOS-ZETCQYMHSA-N 0 0 386.264 3.467 10 30 GGEERN C=CC[C@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC000185383706 565198235 /nfs/dbraw/zinc/19/82/35/565198235.db2.gz NDOMCUCMETVLNI-CZUORRHYSA-N 0 0 387.307 3.191 10 30 GGEERN N#Cc1cc(NC(=O)C(=O)NC2CCC3(CC3)CC2)ccc1Br ZINC000294112572 565198821 /nfs/dbraw/zinc/19/88/21/565198821.db2.gz KCPFJHIQGJIONG-UHFFFAOYSA-N 0 0 376.254 3.098 10 30 GGEERN C=C(C)C[C@@H](C)C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000185396838 565199028 /nfs/dbraw/zinc/19/90/28/565199028.db2.gz ZXGIXVOETDZFRG-CQSZACIVSA-N 0 0 379.298 3.336 10 30 GGEERN N#C[C@@H]1CN(C(=O)CCCc2ccc(Br)s2)CCN1C1CC1 ZINC000371620940 565202396 /nfs/dbraw/zinc/20/23/96/565202396.db2.gz DYHGRISIXDELMG-CYBMUJFWSA-N 0 0 382.327 3.032 10 30 GGEERN Cc1nsc(NC(=O)N2CCC(O)(c3ccccc3Cl)CC2)c1C#N ZINC000294339930 565208438 /nfs/dbraw/zinc/20/84/38/565208438.db2.gz YISDDVTZVQCHIG-UHFFFAOYSA-N 0 0 376.869 3.492 10 30 GGEERN N#CCCn1ccc(=NC(=O)N2CCC[C@H]2c2ccc(Br)s2)[nH]1 ZINC000371772687 565209048 /nfs/dbraw/zinc/20/90/48/565209048.db2.gz IZNYUGFNONDLTI-NSHDSACASA-N 0 0 394.298 3.412 10 30 GGEERN COc1cc(C#N)ccc1CN(c1cccc(Br)c1)S(C)(=O)=O ZINC000159663553 565214254 /nfs/dbraw/zinc/21/42/54/565214254.db2.gz HYZOVTQIVVXHGD-UHFFFAOYSA-N 0 0 395.278 3.296 10 30 GGEERN N#Cc1c[nH]c(C(=O)N2CCC[C@H]2c2ccccc2I)c1 ZINC000371882616 565214486 /nfs/dbraw/zinc/21/44/86/565214486.db2.gz CXRAWFSHDNPRIN-HNNXBMFYSA-N 0 0 391.212 3.468 10 30 GGEERN N#Cc1ccc(C(=O)N2CCC(Oc3cccc(Br)c3)CC2)cn1 ZINC000371935896 565216382 /nfs/dbraw/zinc/21/63/82/565216382.db2.gz GVVJRVZVQPDGSC-UHFFFAOYSA-N 0 0 386.249 3.399 10 30 GGEERN C=CCC(F)(F)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000294520729 565217183 /nfs/dbraw/zinc/21/71/83/565217183.db2.gz CNOBWVFAONXMEM-UHFFFAOYSA-N 0 0 375.169 3.453 10 30 GGEERN C=CC[C@@H](CO)NC(=O)c1ccc(Oc2ccc(Br)cc2)nc1 ZINC000185707624 565217157 /nfs/dbraw/zinc/21/71/57/565217157.db2.gz HMRVOZQOCWSUJL-AWEZNQCLSA-N 0 0 377.238 3.303 10 30 GGEERN CCOc1cc(Br)ccc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000371992692 565218744 /nfs/dbraw/zinc/21/87/44/565218744.db2.gz BFAQFDPRRSOMJV-CQSZACIVSA-N 0 0 393.285 3.052 10 30 GGEERN CCOc1cc(Br)ccc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000371992688 565219133 /nfs/dbraw/zinc/21/91/33/565219133.db2.gz BFAQFDPRRSOMJV-AWEZNQCLSA-N 0 0 393.285 3.052 10 30 GGEERN C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1C(=O)c1ccc(C#N)nc1 ZINC000159833984 565220397 /nfs/dbraw/zinc/22/03/97/565220397.db2.gz HPJDGXIKYXTUFZ-YVEFUNNKSA-N 0 0 386.249 3.318 10 30 GGEERN C=CC[C@@H](CO)NC(=O)c1nc(C(C)C)n(-c2c(Cl)cccc2Cl)n1 ZINC000185813949 565222202 /nfs/dbraw/zinc/22/22/02/565222202.db2.gz IJNZNSHSQFDQRV-NSHDSACASA-N 0 0 383.279 3.364 10 30 GGEERN C=CC[C@H](CO)NC(=O)CCCCc1ccc(I)cc1 ZINC000185814855 565222426 /nfs/dbraw/zinc/22/24/26/565222426.db2.gz MBDRIILXTKWMMP-OAHLLOKOSA-N 0 0 387.261 3.057 10 30 GGEERN CC(C)[C@@H]1C[C@H]1C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000185841704 565223588 /nfs/dbraw/zinc/22/35/88/565223588.db2.gz OSPWNXOBAGAZCX-KSZLIROESA-N 0 0 390.325 3.450 10 30 GGEERN C=CC[C@H](CO)NC(=O)c1ccc(Oc2cccc(Br)c2)nc1 ZINC000185823037 565223770 /nfs/dbraw/zinc/22/37/70/565223770.db2.gz PFCLLOYHSNDCKM-CQSZACIVSA-N 0 0 377.238 3.303 10 30 GGEERN N#Cc1cccnc1-n1cc(NCc2cc3c(c(Br)c2)OCO3)cn1 ZINC000185839413 565223970 /nfs/dbraw/zinc/22/39/70/565223970.db2.gz HPRUAERZTGNBCW-UHFFFAOYSA-N 0 0 398.220 3.242 10 30 GGEERN Cc1cc(Br)c(F)cc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000372161567 565224954 /nfs/dbraw/zinc/22/49/54/565224954.db2.gz YHAJOAYNYVZWRP-LBPRGKRZSA-N 0 0 381.249 3.101 10 30 GGEERN C=CC[C@H](CO)NC(=O)c1cccnc1Oc1ccc(Br)cc1 ZINC000185857678 565225242 /nfs/dbraw/zinc/22/52/42/565225242.db2.gz NPHGTTZPGDGJCY-CYBMUJFWSA-N 0 0 377.238 3.303 10 30 GGEERN C=CC[C@@H](CO)NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000185901642 565227267 /nfs/dbraw/zinc/22/72/67/565227267.db2.gz DHMPXVZUWIFDHQ-NSHDSACASA-N 0 0 383.271 3.026 10 30 GGEERN C=CC[C@H](CO)NC(=O)Nc1nnc(-c2cccc(Br)c2)s1 ZINC000185901658 565227793 /nfs/dbraw/zinc/22/77/93/565227793.db2.gz DHMPXVZUWIFDHQ-LLVKDONJSA-N 0 0 383.271 3.026 10 30 GGEERN CS(=O)(=O)c1csc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c1 ZINC000160042944 565228664 /nfs/dbraw/zinc/22/86/64/565228664.db2.gz RKENRWJRLNIHMY-UHFFFAOYSA-N 0 0 389.483 3.399 10 30 GGEERN Cc1nc([C@H]2CCCCCN2S(=O)(=O)c2cc(C#N)ccc2Cl)no1 ZINC000372328584 565232925 /nfs/dbraw/zinc/23/29/25/565232925.db2.gz AQJWIIGTNJEZFR-CQSZACIVSA-N 0 0 380.857 3.209 10 30 GGEERN C=CC[C@@H](CO)NC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000186092676 565239876 /nfs/dbraw/zinc/23/98/76/565239876.db2.gz DAFSQXAVPIXQQK-HNNXBMFYSA-N 0 0 386.323 3.194 10 30 GGEERN COc1ccc(Br)cc1CC(=O)Nc1cc(C)n(CCC#N)n1 ZINC000271158993 565240382 /nfs/dbraw/zinc/24/03/82/565240382.db2.gz VQPILNXPZKMTIY-UHFFFAOYSA-N 0 0 377.242 3.058 10 30 GGEERN COc1ccccc1[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000160534206 565249065 /nfs/dbraw/zinc/24/90/65/565249065.db2.gz SDHMYAJTQROCKK-CYBMUJFWSA-N 0 0 376.865 3.398 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)ccc1F ZINC000160549355 565249613 /nfs/dbraw/zinc/24/96/13/565249613.db2.gz MRLUDKNILBIGLX-CYBMUJFWSA-N 0 0 380.828 3.193 10 30 GGEERN COc1ccc([C@@H](C)NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1OC ZINC000186312154 565254162 /nfs/dbraw/zinc/25/41/62/565254162.db2.gz WNZNPULZWPDRNA-LLVKDONJSA-N 0 0 380.853 3.268 10 30 GGEERN N#Cc1cncc(S(=O)(=O)Nc2ncc(C3CCC3)cc2Br)c1 ZINC000295261458 565255769 /nfs/dbraw/zinc/25/57/69/565255769.db2.gz YCKPWYQJPIYIGT-UHFFFAOYSA-N 0 0 393.266 3.179 10 30 GGEERN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CN1CCC(C)(C#N)CC1 ZINC000295383238 565262601 /nfs/dbraw/zinc/26/26/01/565262601.db2.gz KQYQGQBSQSCNHP-ZDUSSCGKSA-N 0 0 394.313 3.088 10 30 GGEERN N#CC[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000295491972 565268934 /nfs/dbraw/zinc/26/89/34/565268934.db2.gz AZSBDDKUXLLMJB-ONGXEEELSA-N 0 0 377.691 3.463 10 30 GGEERN N#Cc1ccc(OCCNC(=O)Cc2ccc(F)cc2Br)cc1 ZINC000186587240 565269469 /nfs/dbraw/zinc/26/94/69/565269469.db2.gz ZSTCLZUURORAGJ-UHFFFAOYSA-N 0 0 377.213 3.198 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)c2cc(I)c(F)cc2F)C1 ZINC000295524100 565271486 /nfs/dbraw/zinc/27/14/86/565271486.db2.gz IUPVVUXFQMQSRU-IUCAKERBSA-N 0 0 390.171 3.382 10 30 GGEERN Cc1c(C(=O)N[C@H]2CC[C@@H](CC#N)C2)nnn1-c1cccc(Br)c1 ZINC000295601618 565275665 /nfs/dbraw/zinc/27/56/65/565275665.db2.gz SKOLMDFTQISQLK-JSGCOSHPSA-N 0 0 388.269 3.150 10 30 GGEERN Cc1cc(NC(=O)N2CCc3cccc(Br)c3C2)nn1CCC#N ZINC000272068889 565275800 /nfs/dbraw/zinc/27/58/00/565275800.db2.gz JWVOPZKLCYQKTN-UHFFFAOYSA-N 0 0 388.269 3.458 10 30 GGEERN Cc1cc(NC(=O)NCCc2ccccc2Br)nn1CCC#N ZINC000272075646 565276160 /nfs/dbraw/zinc/27/61/60/565276160.db2.gz KYJFILQXGWTELW-UHFFFAOYSA-N 0 0 376.258 3.232 10 30 GGEERN COc1cc(C)c(Br)cc1S(=O)(=O)N1CCC(C)(C#N)CC1 ZINC000272404177 565286047 /nfs/dbraw/zinc/28/60/47/565286047.db2.gz BFDYWVHJIODLFY-UHFFFAOYSA-N 0 0 387.299 3.081 10 30 GGEERN COC(=O)c1cc(S(=O)(=O)N2CCC(C)(C#N)CC2)c(Cl)cc1Cl ZINC000272496946 565288651 /nfs/dbraw/zinc/28/86/51/565288651.db2.gz QVDQHDIPKZUTML-UHFFFAOYSA-N 0 0 391.276 3.094 10 30 GGEERN CC1(C#N)CCN(S(=O)(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000272471997 565289026 /nfs/dbraw/zinc/28/90/26/565289026.db2.gz NDJNDRLQYGVZIW-UHFFFAOYSA-N 0 0 379.226 3.042 10 30 GGEERN CC1(C#N)CCN(S(=O)(=O)c2cc(Br)c(F)cc2F)CC1 ZINC000272588530 565291545 /nfs/dbraw/zinc/29/15/45/565291545.db2.gz ZKWZAHHDLOHIJJ-UHFFFAOYSA-N 0 0 379.226 3.042 10 30 GGEERN CC1(C#N)CCN(C(=O)NCCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000272702516 565293619 /nfs/dbraw/zinc/29/36/19/565293619.db2.gz ZBSARNHTXCSSDT-UHFFFAOYSA-N 0 0 393.285 3.113 10 30 GGEERN C[C@@H]1C[C@@]2(CCO1)CN(Cc1cc(C#N)ccc1Br)C[C@H](C)O2 ZINC000373972402 565313285 /nfs/dbraw/zinc/31/32/85/565313285.db2.gz NAZIEHGMVCVBIZ-GLJUWKHASA-N 0 0 379.298 3.479 10 30 GGEERN COc1cc(Br)c(CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)cc1OC ZINC000296380522 565315059 /nfs/dbraw/zinc/31/50/59/565315059.db2.gz PEBFDQMETUTXNJ-AAEUAGOBSA-N 0 0 396.285 3.348 10 30 GGEERN CC(C)CC(=O)N[C@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)C(C)C ZINC000162367124 565315182 /nfs/dbraw/zinc/31/51/82/565315182.db2.gz ROXSTRFZKLEMSO-WBVHZDCISA-N 0 0 394.313 3.317 10 30 GGEERN N#C[C@H](NC(=O)[C@H]1CCCN1c1nccs1)c1cccc(Br)c1 ZINC000162398715 565316243 /nfs/dbraw/zinc/31/62/43/565316243.db2.gz FEQVNRYUJGBHOO-UONOGXRCSA-N 0 0 391.294 3.255 10 30 GGEERN C=CCn1c(SCCCCS(C)(=O)=O)nnc1-c1ccccc1OC ZINC000162466537 565317526 /nfs/dbraw/zinc/31/75/26/565317526.db2.gz NAFMQORXIPTJSO-UHFFFAOYSA-N 0 0 381.523 3.057 10 30 GGEERN Cc1cc(Br)c(F)cc1NC(=O)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000296586681 565324960 /nfs/dbraw/zinc/32/49/60/565324960.db2.gz TWUMAQUVOOPVEC-QWRGUYRKSA-N 0 0 382.233 3.034 10 30 GGEERN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCCC(C)(F)F)cc1 ZINC000296585299 565325785 /nfs/dbraw/zinc/32/57/85/565325785.db2.gz IMKOUBCQEATHJH-UHFFFAOYSA-N 0 0 375.441 3.050 10 30 GGEERN N#Cc1cc(Br)cnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC000296654934 565327963 /nfs/dbraw/zinc/32/79/63/565327963.db2.gz XSZZIBXFGLYASI-UHFFFAOYSA-N 0 0 385.265 3.115 10 30 GGEERN C#CCCCCc1nc(Cc2nc3ccc(Br)cc3c(=O)[nH]2)no1 ZINC000273679889 565329448 /nfs/dbraw/zinc/32/94/48/565329448.db2.gz COXPVXNMPDCBQZ-UHFFFAOYSA-N 0 0 387.237 3.418 10 30 GGEERN N#Cc1ccc(C2=CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 ZINC000374307531 565331684 /nfs/dbraw/zinc/33/16/84/565331684.db2.gz DIBWEOVHFAJLSU-UHFFFAOYSA-N 0 0 375.431 3.006 10 30 GGEERN COc1ccc(Cn2cnc3c(F)cc(Br)cc3c2=O)cc1C#N ZINC000163155635 565338018 /nfs/dbraw/zinc/33/80/18/565338018.db2.gz BZIRCPYWRDVAOP-UHFFFAOYSA-N 0 0 388.196 3.227 10 30 GGEERN CC(C)(CC#N)CS(=O)(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000296854972 565340997 /nfs/dbraw/zinc/34/09/97/565340997.db2.gz YLIFUGRXOTYYRB-CYBMUJFWSA-N 0 0 387.299 3.132 10 30 GGEERN COC(=O)c1cc(NC(=O)N[C@H]2CC[C@@H](CC#N)C2)ccc1Br ZINC000296844725 565341247 /nfs/dbraw/zinc/34/12/47/565341247.db2.gz JNMPGRCHJOWFQW-QWRGUYRKSA-N 0 0 380.242 3.440 10 30 GGEERN C=CCN(Cc1cc(Br)ccc1F)C[C@@H](C)CS(C)(=O)=O ZINC000163312980 565342432 /nfs/dbraw/zinc/34/24/32/565342432.db2.gz FBWRXXWDQTZALX-GFCCVEGCSA-N 0 0 378.307 3.257 10 30 GGEERN C=CCC(F)(F)C(=O)N(C)[C@@H](CO)c1cc(OC)ccc1Br ZINC000296888331 565343110 /nfs/dbraw/zinc/34/31/10/565343110.db2.gz KYYPLPYXBHSKPG-ZDUSSCGKSA-N 0 0 378.213 3.161 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)CCOc2cccc(I)c2)C1 ZINC000296957455 565347784 /nfs/dbraw/zinc/34/77/84/565347784.db2.gz PLKZYZQUJHBAMI-JSGCOSHPSA-N 0 0 398.244 3.259 10 30 GGEERN COc1ccc(CCNS(=O)(=O)Cc2cc(C#N)ccc2F)c(Cl)c1 ZINC000164504615 565361529 /nfs/dbraw/zinc/36/15/29/565361529.db2.gz KFOLRCPGERPWFJ-UHFFFAOYSA-N 0 0 382.844 3.021 10 30 GGEERN N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2csc(Cl)c2)cc1 ZINC000187898135 565362812 /nfs/dbraw/zinc/36/28/12/565362812.db2.gz GKMYDGNPYMQJFN-CYBMUJFWSA-N 0 0 377.878 3.427 10 30 GGEERN N#CC1(CS(=O)(=O)NCc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000166222196 565374317 /nfs/dbraw/zinc/37/43/17/565374317.db2.gz CKRWDQUALYBCDI-UHFFFAOYSA-N 0 0 397.216 3.191 10 30 GGEERN N#Cc1ccsc1N1CC[C@@H](Sc2nnc(C(F)(F)F)s2)C1=O ZINC000188210444 565388088 /nfs/dbraw/zinc/38/80/88/565388088.db2.gz QMUDQLPXRGXFOR-SSDOTTSWSA-N 0 0 376.410 3.388 10 30 GGEERN C[C@H](NC(=O)CC(C)(C)C)C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000275125933 565394313 /nfs/dbraw/zinc/39/43/13/565394313.db2.gz JUEMUOCANIGHHN-SMDDNHRTSA-N 0 0 380.286 3.071 10 30 GGEERN COC[C@H](Cc1ccccc1)N(C)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000188371241 565397642 /nfs/dbraw/zinc/39/76/42/565397642.db2.gz JSZJELFXYQJGFK-INIZCTEOSA-N 0 0 378.881 3.090 10 30 GGEERN N#Cc1ccc(CNC(=O)NCCNc2ncc(Cl)cc2Cl)c(F)c1 ZINC000170935094 565399036 /nfs/dbraw/zinc/39/90/36/565399036.db2.gz SQGNYKODYLPEHP-UHFFFAOYSA-N 0 0 382.226 3.310 10 30 GGEERN CSc1ccc(Cl)cc1NC(=O)C(=O)NCc1ccc(C#N)cc1F ZINC000170939451 565399291 /nfs/dbraw/zinc/39/92/91/565399291.db2.gz FRYUXTFAOZTXKH-UHFFFAOYSA-N 0 0 377.828 3.328 10 30 GGEERN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000171037132 565403991 /nfs/dbraw/zinc/40/39/91/565403991.db2.gz KEWQSCBUSDDMQE-AWEZNQCLSA-N 0 0 375.182 3.055 10 30 GGEERN N#Cc1cc(S(=O)(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)ccc1Cl ZINC000171041401 565404523 /nfs/dbraw/zinc/40/45/23/565404523.db2.gz LDMXOIQKHGPGKZ-ZWKOTPCHSA-N 0 0 376.865 3.410 10 30 GGEERN Cc1cc(NC(=O)CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)ccc1Br ZINC000298281729 565407150 /nfs/dbraw/zinc/40/71/50/565407150.db2.gz CDVLXGXILZAFAA-JSGCOSHPSA-N 0 0 393.285 3.078 10 30 GGEERN C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccc(Cl)c(Cl)c1 ZINC000171105973 565410288 /nfs/dbraw/zinc/41/02/88/565410288.db2.gz ADVOWRWTFKESNO-NSHDSACASA-N 0 0 376.243 3.472 10 30 GGEERN N#Cc1ccc(C2(C(=O)NCCOc3ncc(Cl)cc3Cl)CC2)cc1 ZINC000188575508 565410480 /nfs/dbraw/zinc/41/04/80/565410480.db2.gz JMOKAMKCSQLCQI-UHFFFAOYSA-N 0 0 376.243 3.487 10 30 GGEERN Cc1cc(Br)cn2cc(CNC(=O)N[C@H]3CC[C@@H](CC#N)C3)nc12 ZINC000298539743 565419146 /nfs/dbraw/zinc/41/91/46/565419146.db2.gz WFCMTTDJQLCWIP-JSGCOSHPSA-N 0 0 390.285 3.287 10 30 GGEERN N#CC1(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CCCCC1 ZINC000171222189 565419440 /nfs/dbraw/zinc/41/94/40/565419440.db2.gz MNRYGKFQBTZBBL-UHFFFAOYSA-N 0 0 388.269 3.324 10 30 GGEERN Cc1nnc(NCc2nnc(-c3ccc(Br)cc3)[nH]2)c(C#N)c1C ZINC000171233251 565420644 /nfs/dbraw/zinc/42/06/44/565420644.db2.gz YLCBBJLYVFNDJM-UHFFFAOYSA-N 0 0 384.241 3.125 10 30 GGEERN N#Cc1ccc(NC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)cc1 ZINC000171247373 565421613 /nfs/dbraw/zinc/42/16/13/565421613.db2.gz KAWULNUNONRFMB-UHFFFAOYSA-N 0 0 397.236 3.428 10 30 GGEERN C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000275651917 565422214 /nfs/dbraw/zinc/42/22/14/565422214.db2.gz GQUOZAQTCGPVLD-QMMMGPOBSA-N 0 0 392.175 3.024 10 30 GGEERN Cc1nsc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)c1C#N ZINC000298611411 565422709 /nfs/dbraw/zinc/42/27/09/565422709.db2.gz KQSJCNODCAIBFA-CYBMUJFWSA-N 0 0 392.893 3.130 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCc3cc(Br)ccc32)ccc1F ZINC000171264182 565423023 /nfs/dbraw/zinc/42/30/23/565423023.db2.gz PNVHZNAQRQJPPS-UHFFFAOYSA-N 0 0 381.226 3.211 10 30 GGEERN N#Cc1ccsc1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000171301724 565424918 /nfs/dbraw/zinc/42/49/18/565424918.db2.gz ZAVHYOLLTJIBGC-UHFFFAOYSA-N 0 0 377.828 3.010 10 30 GGEERN O=C(/C=C/c1cnc(N2CCOCC2)s1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000171349351 565427229 /nfs/dbraw/zinc/42/72/29/565427229.db2.gz IVWGVLDCZNOEDN-DUXPYHPUSA-N 0 0 379.825 3.437 10 30 GGEERN C#CCN(C(=O)/C=C/c1ccncn1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000376350390 565432011 /nfs/dbraw/zinc/43/20/11/565432011.db2.gz IJPQXSFFHLPFHY-UKINESCASA-N 0 0 398.260 3.238 10 30 GGEERN CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCS[C@@H](C)C1 ZINC000171570793 565438542 /nfs/dbraw/zinc/43/85/42/565438542.db2.gz FEBNBFBKRIDLFM-NSHDSACASA-N 0 0 399.310 3.062 10 30 GGEERN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCO[C@H](c2nccs2)C1 ZINC000171664142 565443546 /nfs/dbraw/zinc/44/35/46/565443546.db2.gz CMJVOEXSHFXNOV-ZBFHGGJFSA-N 0 0 377.535 3.181 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Br)s2)cn1 ZINC000376610981 565446138 /nfs/dbraw/zinc/44/61/38/565446138.db2.gz PCJDWDQTHMPXRN-GFCCVEGCSA-N 0 0 398.307 3.303 10 30 GGEERN CC1(C#N)CCN(Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000276393277 565446779 /nfs/dbraw/zinc/44/67/79/565446779.db2.gz IWPRPWGWOLIEBC-UHFFFAOYSA-N 0 0 378.314 3.411 10 30 GGEERN CCc1nn(C)c(CC)c1CC(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000276549352 565453125 /nfs/dbraw/zinc/45/31/25/565453125.db2.gz JOAASHGMAKYEIX-MRXNPFEDSA-N 0 0 389.297 3.231 10 30 GGEERN Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCC(C)(C#N)CC1 ZINC000276899483 565465658 /nfs/dbraw/zinc/46/56/58/565465658.db2.gz VQPQOIZJTFSJMU-UHFFFAOYSA-N 0 0 375.263 3.211 10 30 GGEERN N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC(Cc2ccccn2)CC1 ZINC000172162760 565469355 /nfs/dbraw/zinc/46/93/55/565469355.db2.gz TXKFXAIOIFYARJ-UHFFFAOYSA-N 0 0 375.881 3.250 10 30 GGEERN Cc1cc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc(C)c1Br ZINC000277098431 565476147 /nfs/dbraw/zinc/47/61/47/565476147.db2.gz UZYFTTGMAANWCD-UHFFFAOYSA-N 0 0 378.270 3.157 10 30 GGEERN C=CCSCCNC(=O)C(=O)Nc1nc2c(ccc3c2CCCC3)s1 ZINC000172336068 565479184 /nfs/dbraw/zinc/47/91/84/565479184.db2.gz ZLIFJHSBWCCRKB-UHFFFAOYSA-N 0 0 375.519 3.149 10 30 GGEERN Cc1cc(Cl)ccc1OCCCNc1ccc(S(N)(=O)=O)cc1C#N ZINC000301355917 565480278 /nfs/dbraw/zinc/48/02/78/565480278.db2.gz KKIALZFSDSXHMC-UHFFFAOYSA-N 0 0 379.869 3.049 10 30 GGEERN N#Cc1cc(S(N)(=O)=O)ccc1N[C@@H]1CCc2c1cccc2Br ZINC000301392393 565483020 /nfs/dbraw/zinc/48/30/20/565483020.db2.gz BOROLAOPDJWCSC-MRXNPFEDSA-N 0 0 392.278 3.068 10 30 GGEERN C=CC[C@@H](CO)NC(=O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000189701917 565483608 /nfs/dbraw/zinc/48/36/08/565483608.db2.gz PNGCMCUYCXQCTM-LBPRGKRZSA-N 0 0 384.263 3.419 10 30 GGEERN N#Cc1cccc(S(=O)(=O)N2CCc3cccc(Br)c3C2)c1 ZINC000172416581 565484545 /nfs/dbraw/zinc/48/45/45/565484545.db2.gz RMCOJHDUHLCELY-UHFFFAOYSA-N 0 0 377.263 3.068 10 30 GGEERN N#Cc1c(Cl)nsc1N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000301463672 565488780 /nfs/dbraw/zinc/48/87/80/565488780.db2.gz KGUBHLGWIHMWIC-UHFFFAOYSA-N 0 0 381.288 3.213 10 30 GGEERN CCN(CC)S(=O)(=O)c1ccc(CCNc2ccc(C)c(C#N)n2)s1 ZINC000189819491 565490686 /nfs/dbraw/zinc/49/06/86/565490686.db2.gz AOLKJZWGDVMCDM-UHFFFAOYSA-N 0 0 378.523 3.008 10 30 GGEERN Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000172671541 565498007 /nfs/dbraw/zinc/49/80/07/565498007.db2.gz WNGXMEPHDNFGLQ-UHFFFAOYSA-N 0 0 395.937 3.088 10 30 GGEERN N#CCCn1ccc(=NC(=O)N2CCC[C@H]2c2ccc(Br)cc2)[nH]1 ZINC000377914099 565505859 /nfs/dbraw/zinc/50/58/59/565505859.db2.gz PFCKRZXKDLFLDN-HNNXBMFYSA-N 0 0 388.269 3.350 10 30 GGEERN COCCN(Cc1sccc1Br)C(=O)c1ccc(C#N)c(O)c1 ZINC000190143072 565510619 /nfs/dbraw/zinc/51/06/19/565510619.db2.gz OUELZXXQMDQHRY-UHFFFAOYSA-N 0 0 395.278 3.377 10 30 GGEERN COCCN(Cc1sccc1Br)C(=O)c1ccc(C#N)cn1 ZINC000190152900 565512104 /nfs/dbraw/zinc/51/21/04/565512104.db2.gz YEMWVMBESHYGKG-UHFFFAOYSA-N 0 0 380.267 3.066 10 30 GGEERN N#CCCCCN1C(=O)N[C@H](Cc2c[nH]c3cccc(Br)c23)C1=O ZINC000277724011 565516798 /nfs/dbraw/zinc/51/67/98/565516798.db2.gz IIWDSLKASWEKRJ-CQSZACIVSA-N 0 0 389.253 3.087 10 30 GGEERN CCN(CC)S(=O)(=O)c1ccc(Sc2snc(Cl)c2C#N)nc1 ZINC000301940212 565519881 /nfs/dbraw/zinc/51/98/81/565519881.db2.gz ZEOZREZOAXFPNW-UHFFFAOYSA-N 0 0 388.927 3.245 10 30 GGEERN COc1cc(OC)cc(N2CC[C@H](N(C)c3snc(Cl)c3C#N)C2)c1 ZINC000301959074 565520609 /nfs/dbraw/zinc/52/06/09/565520609.db2.gz PDAVFMWZUYQQSV-NSHDSACASA-N 0 0 378.885 3.400 10 30 GGEERN N#Cc1ccc(N2CCC[C@H]2c2ccc(I)cc2)nn1 ZINC000301965637 565521765 /nfs/dbraw/zinc/52/17/65/565521765.db2.gz KHBBYPVIKMZLLW-AWEZNQCLSA-N 0 0 376.201 3.294 10 30 GGEERN N#Cc1ccc(NC[C@@H](Cc2ccc(F)cc2)C(N)=O)c(Br)c1 ZINC000301977127 565521796 /nfs/dbraw/zinc/52/17/96/565521796.db2.gz FJNZKBFUHQWTRT-CYBMUJFWSA-N 0 0 376.229 3.216 10 30 GGEERN C[C@@H]1CO[C@H](c2ccccc2)CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000173105052 565527782 /nfs/dbraw/zinc/52/77/82/565527782.db2.gz SWBANUSHXJWRHU-DYVFJYSZSA-N 0 0 376.865 3.362 10 30 GGEERN C[C@H]1CO[C@@H](c2ccccc2)CN1S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000173105073 565528249 /nfs/dbraw/zinc/52/82/49/565528249.db2.gz SWBANUSHXJWRHU-SUMWQHHRSA-N 0 0 376.865 3.362 10 30 GGEERN N#Cc1ccc(CNS(=O)(=O)c2ccc(Br)c(F)c2)c(F)c1 ZINC000173122040 565528618 /nfs/dbraw/zinc/52/86/18/565528618.db2.gz AEMYGQQXBIBCQR-UHFFFAOYSA-N 0 0 387.205 3.077 10 30 GGEERN COc1cc(Br)ccc1[C@@H](C)NCC(=O)N[C@](C)(C#N)C(C)C ZINC000190419764 565531155 /nfs/dbraw/zinc/53/11/55/565531155.db2.gz RHCRZRVTNUNYCB-SJKOYZFVSA-N 0 0 382.302 3.163 10 30 GGEERN Cc1nc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(C#N)c(Cl)c2)no1 ZINC000378552418 565534330 /nfs/dbraw/zinc/53/43/30/565534330.db2.gz RZDVAQNBFIOHQY-HNNXBMFYSA-N 0 0 380.857 3.209 10 30 GGEERN Cc1nc([C@H]2CCCCCN2S(=O)(=O)c2ccc(C#N)cc2Cl)no1 ZINC000378606741 565534644 /nfs/dbraw/zinc/53/46/44/565534644.db2.gz MSRIQGBUUJBOGL-CQSZACIVSA-N 0 0 380.857 3.209 10 30 GGEERN N#Cc1ccc(CNS(=O)(=O)c2ccc(F)c(Br)c2)c(F)c1 ZINC000173201062 565536334 /nfs/dbraw/zinc/53/63/34/565536334.db2.gz MMPXLDUJKSQODT-UHFFFAOYSA-N 0 0 387.205 3.077 10 30 GGEERN Cc1ccc(NCc2ccc(Br)cc2N2CCOCC2)nc1C#N ZINC000302664573 565548921 /nfs/dbraw/zinc/54/89/21/565548921.db2.gz PQVUJNUPDBJNQF-UHFFFAOYSA-N 0 0 387.281 3.473 10 30 GGEERN CCOC(=O)c1csc(CCNC(=O)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000190659588 565549776 /nfs/dbraw/zinc/54/97/76/565549776.db2.gz VBEOFAYUUCBUMU-UHFFFAOYSA-N 0 0 378.841 3.209 10 30 GGEERN C#CCNC(=O)c1ccc(N[C@H](C)c2ccc(Br)cc2OC)nc1 ZINC000302751898 565554675 /nfs/dbraw/zinc/55/46/75/565554675.db2.gz HGZNOIUKBFYGRB-GFCCVEGCSA-N 0 0 388.265 3.389 10 30 GGEERN CCn1cc([C@@H]2CN(Cc3ccc(C#N)cc3Br)CCO2)cn1 ZINC000190775089 565557413 /nfs/dbraw/zinc/55/74/13/565557413.db2.gz HWRFOHKMYOFZJP-KRWDZBQOSA-N 0 0 375.270 3.111 10 30 GGEERN CCn1cc([C@H]2CN(Cc3ccc(C#N)cc3Br)CCO2)cn1 ZINC000190775112 565557550 /nfs/dbraw/zinc/55/75/50/565557550.db2.gz HWRFOHKMYOFZJP-QGZVFWFLSA-N 0 0 375.270 3.111 10 30 GGEERN CN1CCCN(S(=O)(=O)c2ccc(F)c(C#N)c2)c2cc(Cl)ccc21 ZINC000173480500 565560832 /nfs/dbraw/zinc/56/08/32/565560832.db2.gz TXZHASVILPALAG-UHFFFAOYSA-N 0 0 379.844 3.386 10 30 GGEERN Cn1ncc(Br)c1/C=C/C(=O)c1c(F)cccc1N1CCOCC1 ZINC000278593764 565568115 /nfs/dbraw/zinc/56/81/15/565568115.db2.gz UHXFQXKWJJPECH-AATRIKPKSA-N 0 0 394.244 3.054 10 30 GGEERN N#CC[C@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000397763830 565576418 /nfs/dbraw/zinc/57/64/18/565576418.db2.gz FPEZWKVVXHCRSM-SNVBAGLBSA-N 0 0 377.691 3.417 10 30 GGEERN CCO[C@@H](C)c1nc(CN(C)S(=O)(=O)c2cc(C#N)ccc2C)cs1 ZINC000173747625 565581282 /nfs/dbraw/zinc/58/12/82/565581282.db2.gz WDJMKDOZXQKKFY-ZDUSSCGKSA-N 0 0 379.507 3.241 10 30 GGEERN N#Cc1cccc(CNS(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000314116807 565586152 /nfs/dbraw/zinc/58/61/52/565586152.db2.gz APLSTOKYKKOULM-UHFFFAOYSA-N 0 0 385.670 3.453 10 30 GGEERN CC(C)c1nc([C@H]2CCCN2S(=O)(=O)c2ccc(C#N)c(Cl)c2)no1 ZINC000173823392 565590990 /nfs/dbraw/zinc/59/09/90/565590990.db2.gz RFSASJPNUADKIW-CQSZACIVSA-N 0 0 380.857 3.244 10 30 GGEERN N#Cc1ccc(CN2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)c(Br)c1 ZINC000408041667 565591836 /nfs/dbraw/zinc/59/18/36/565591836.db2.gz DIHUPWZFXZNMBT-NXHRZFHOSA-N 0 0 379.298 3.073 10 30 GGEERN Cc1noc([C@H]2CN(c3c(Br)cc(Cl)cc3C#N)CCN2C)n1 ZINC000408031597 565592009 /nfs/dbraw/zinc/59/20/09/565592009.db2.gz OOXDHUNSWFVDML-CYBMUJFWSA-N 0 0 396.676 3.159 10 30 GGEERN N#Cc1cc(Cl)cc(Br)c1N1CCn2c(nnc2C2CC2)C1 ZINC000408102136 565594427 /nfs/dbraw/zinc/59/44/27/565594427.db2.gz AMKHOSOKRCIWMP-UHFFFAOYSA-N 0 0 378.661 3.463 10 30 GGEERN N#Cc1cc(Cl)cc(Br)c1N1CCC(N2CCCNC2=O)CC1 ZINC000408104017 565595221 /nfs/dbraw/zinc/59/52/21/565595221.db2.gz 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/nfs/dbraw/zinc/60/76/17/565607617.db2.gz VHUFXOIUSQFOKM-UHFFFAOYSA-N 0 0 397.269 3.023 10 30 GGEERN C=CCN(Cc1ccn(-c2ccc(F)cc2)n1)S(=O)(=O)c1cccs1 ZINC000174085760 565612652 /nfs/dbraw/zinc/61/26/52/565612652.db2.gz BMFYWBHTGSPUFE-UHFFFAOYSA-N 0 0 377.466 3.450 10 30 GGEERN C[C@]1(c2ccccc2)NC(=O)N(Cc2cc(C#N)ccc2Br)C1=O ZINC000191675436 565620580 /nfs/dbraw/zinc/62/05/80/565620580.db2.gz CIOQXBHOVNVGBA-GOSISDBHSA-N 0 0 384.233 3.288 10 30 GGEERN C[C@H](C(=O)Nc1nc(-c2ccc(F)c(Cl)c2)cs1)n1cnc(C#N)n1 ZINC000409508960 565620740 /nfs/dbraw/zinc/62/07/40/565620740.db2.gz UKRLGPRZTAKGIV-MRVPVSSYSA-N 0 0 376.804 3.265 10 30 GGEERN C[C@H](C#N)CN(C)S(=O)(=O)N1CCc2cc(Cl)cc(Cl)c2[C@@H]1C ZINC000409514963 565621320 /nfs/dbraw/zinc/62/13/20/565621320.db2.gz SBKMRJJKTHCKBH-MNOVXSKESA-N 0 0 376.309 3.249 10 30 GGEERN CCN(CCC#N)S(=O)(=O)N1CCC[C@H]1c1ccc(Br)s1 ZINC000409522914 565622327 /nfs/dbraw/zinc/62/23/27/565622327.db2.gz ZRZWWKRIWFNBIF-NSHDSACASA-N 0 0 392.344 3.128 10 30 GGEERN 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/nfs/dbraw/zinc/85/85/33/565858533.db2.gz YGUWLSOYOOSVCS-UHFFFAOYSA-N 0 0 380.629 3.352 10 30 GGEERN CN1CC[C@@H](NS(=O)(=O)c2ccc(C#N)s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000332996648 565861523 /nfs/dbraw/zinc/86/15/23/565861523.db2.gz ATEYLXHDSXUKND-ZBFHGGJFSA-N 0 0 399.900 3.136 10 30 GGEERN COC(=O)[C@H]1CSCCN(c2c(C#N)cnc3c(Cl)cc(C)cc32)C1 ZINC000413610918 565862356 /nfs/dbraw/zinc/86/23/56/565862356.db2.gz RYJKLRHOXOWTAZ-CYBMUJFWSA-N 0 0 375.881 3.411 10 30 GGEERN COc1ccc(Br)cc1CC(=O)N(CCC#N)CC(F)(F)F ZINC000177624874 565863116 /nfs/dbraw/zinc/86/31/16/565863116.db2.gz OPPWGOMAFPLJPN-UHFFFAOYSA-N 0 0 379.176 3.305 10 30 GGEERN CCc1cccc(CC)c1NC(=O)CON=C(N)c1ccc(Br)o1 ZINC000177632160 565864342 /nfs/dbraw/zinc/86/43/42/565864342.db2.gz NHWODLJRNAXMBE-UHFFFAOYSA-N 0 0 394.269 3.443 10 30 GGEERN Cc1ccc(I)c(C(=O)NCc2ccc(C#N)cc2)c1 ZINC000195265303 565871090 /nfs/dbraw/zinc/87/10/90/565871090.db2.gz VHGUQAMQNMHFEN-UHFFFAOYSA-N 0 0 376.197 3.401 10 30 GGEERN C=CCn1c(SCc2ccc(Br)cn2)nnc1-c1cnccn1 ZINC000177785169 565873203 /nfs/dbraw/zinc/87/32/03/565873203.db2.gz GOTRNMKTKMDTCA-UHFFFAOYSA-N 0 0 389.282 3.371 10 30 GGEERN C=CCn1c(-c2cccs2)nnc1S(=O)(=O)Cc1ncc(C2CC2)o1 ZINC000285188384 565893063 /nfs/dbraw/zinc/89/30/63/565893063.db2.gz TZMADXYHOAXYEM-UHFFFAOYSA-N 0 0 376.463 3.032 10 30 GGEERN COc1ccc(Br)c(CC(=O)NCc2ccc(C#N)cc2F)c1 ZINC000178106906 565897974 /nfs/dbraw/zinc/89/79/74/565897974.db2.gz NITAUQUYRFCSFA-UHFFFAOYSA-N 0 0 377.213 3.327 10 30 GGEERN N#Cc1ccc(CNS(=O)(=O)Cc2ccc(Br)cc2)c(F)c1 ZINC000178333390 565913746 /nfs/dbraw/zinc/91/37/46/565913746.db2.gz QPTPEEHSSXZDJO-UHFFFAOYSA-N 0 0 383.242 3.079 10 30 GGEERN C=CCSCCNC(=O)c1cc(I)c(F)cc1F ZINC000178527642 565924367 /nfs/dbraw/zinc/92/43/67/565924367.db2.gz HITOGUWADVLWMY-UHFFFAOYSA-N 0 0 383.201 3.218 10 30 GGEERN N#CC1CCC(CN2C(=O)N[C@@H](c3ccc(Br)cc3)C2=O)CC1 ZINC000285900367 565932427 /nfs/dbraw/zinc/93/24/27/565932427.db2.gz FMHFTBQVUUZISE-QOZQQMKHSA-N 0 0 376.254 3.372 10 30 GGEERN Cc1cc(C#N)ccc1C(=O)Nc1ccc(I)c(C)n1 ZINC000178693081 565933513 /nfs/dbraw/zinc/93/35/13/565933513.db2.gz YFXJSIDKFWFPFQ-UHFFFAOYSA-N 0 0 377.185 3.427 10 30 GGEERN COc1cc(S(=O)(=O)N[C@@]2(C#N)CCc3ccccc3C2)ccc1Cl ZINC000414451323 565934355 /nfs/dbraw/zinc/93/43/55/565934355.db2.gz IBKKMPVTXWNLEX-SFHVURJKSA-N 0 0 376.865 3.078 10 30 GGEERN C=CCn1c(-c2ccccc2Br)nnc1N1CCC[C@@H](CO)[C@@H]1C ZINC000414508146 565943771 /nfs/dbraw/zinc/94/37/71/565943771.db2.gz AUMJOOAMBTXZBH-KBPBESRZSA-N 0 0 391.313 3.491 10 30 GGEERN C=CCn1c(-c2ccccc2Br)nnc1N1CCC[C@H](CO)[C@@H]1C ZINC000414508152 565943816 /nfs/dbraw/zinc/94/38/16/565943816.db2.gz AUMJOOAMBTXZBH-UONOGXRCSA-N 0 0 391.313 3.491 10 30 GGEERN Cc1cccc(S(=O)(=O)NCc2ccc(C#N)cc2F)c1Br ZINC000178878860 565944045 /nfs/dbraw/zinc/94/40/45/565944045.db2.gz KFCBYIAFQFDSJL-UHFFFAOYSA-N 0 0 383.242 3.247 10 30 GGEERN COc1ccc(Cl)cc1CN(C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000179117252 565959023 /nfs/dbraw/zinc/95/90/23/565959023.db2.gz WGBMFOOSUQIPIV-UHFFFAOYSA-N 0 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PYOMBXBKHALKMH-HNNXBMFYSA-N 0 0 384.237 3.267 10 30 GGEERN C=CCCCN(C)C(=O)c1cnc2ccc(I)cc2c1O ZINC000179951385 566020792 /nfs/dbraw/zinc/02/07/92/566020792.db2.gz COZKXQUNHMXKBP-UHFFFAOYSA-N 0 0 396.228 3.171 10 30 GGEERN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(C#N)c1Br ZINC000416074850 566033006 /nfs/dbraw/zinc/03/30/06/566033006.db2.gz DLLGTRWMEZUOIR-GXFFZTMASA-N 0 0 396.310 3.207 10 30 GGEERN CC(C)N1CC[C@H](NS(=O)(=O)CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000180100253 566033104 /nfs/dbraw/zinc/03/31/04/566033104.db2.gz JBGFMVUQRRCBKN-IRXDYDNUSA-N 0 0 387.908 3.226 10 30 GGEERN N#Cc1cccc(NC(=O)[C@@H]2CCCN2CC(F)(F)F)c1Br ZINC000416078926 566033296 /nfs/dbraw/zinc/03/32/96/566033296.db2.gz MHJIAPNPWAJTMF-NSHDSACASA-N 0 0 376.176 3.286 10 30 GGEERN N#Cc1cccc(NC(=O)[C@H]2CCCN2c2nccs2)c1Br ZINC000416073370 566033440 /nfs/dbraw/zinc/03/34/40/566033440.db2.gz AFWCAQUXZLTPPA-GFCCVEGCSA-N 0 0 377.267 3.385 10 30 GGEERN N#Cc1cccc([C@@H]2CN(S(=O)(=O)c3c(F)cccc3Cl)CCO2)c1 ZINC000364109943 566034364 /nfs/dbraw/zinc/03/43/64/566034364.db2.gz VQSXOAQZZCFZHO-INIZCTEOSA-N 0 0 380.828 3.113 10 30 GGEERN N#Cc1cnc(N2CCC[C@H]2c2ccccc2I)cn1 ZINC000364279400 566042173 /nfs/dbraw/zinc/04/21/73/566042173.db2.gz FQNJBFLCNDJUKS-AWEZNQCLSA-N 0 0 376.201 3.294 10 30 GGEERN CCO[C@H]1C[C@](NCc2ccc(Br)cc2C#N)(C(=O)OC)C1(C)C ZINC000287838301 566042457 /nfs/dbraw/zinc/04/24/57/566042457.db2.gz QLEIANTZJVBDFK-YJBOKZPZSA-N 0 0 395.297 3.157 10 30 GGEERN C[C@@H](Oc1cccc(CO)c1)C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000180206959 566043600 /nfs/dbraw/zinc/04/36/00/566043600.db2.gz VIBHTRKZSMWKSS-SJKOYZFVSA-N 0 0 389.249 3.090 10 30 GGEERN N#Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)cn1 ZINC000364387110 566049503 /nfs/dbraw/zinc/04/95/03/566049503.db2.gz GTBKGBZJEWQXFN-MRXNPFEDSA-N 0 0 390.212 3.069 10 30 GGEERN N#Cc1ccnc(C(=O)N2CCC(Nc3cccc(Br)c3)CC2)c1 ZINC000287964440 566049697 /nfs/dbraw/zinc/04/96/97/566049697.db2.gz HTVRHCYYUMMNCN-UHFFFAOYSA-N 0 0 385.265 3.432 10 30 GGEERN CC(C)(C(=O)NCC1CCC(C#N)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000288084822 566055330 /nfs/dbraw/zinc/05/53/30/566055330.db2.gz HKUMMNFVDBTIGA-UHFFFAOYSA-N 0 0 382.913 3.338 10 30 GGEERN N#CC1(CNC(=O)[C@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)CCC1 ZINC000416344727 566055275 /nfs/dbraw/zinc/05/52/75/566055275.db2.gz CUCIMLRVXGEXLG-INIZCTEOSA-N 0 0 382.291 3.177 10 30 GGEERN Cc1cc(C)c(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1Br ZINC000364518379 566055769 /nfs/dbraw/zinc/05/57/69/566055769.db2.gz JFEHTNWPJBEISB-CQSZACIVSA-N 0 0 377.286 3.270 10 30 GGEERN N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000416377953 566059613 /nfs/dbraw/zinc/05/96/13/566059613.db2.gz YEUHRXCNLQFVEK-JTQLQIEISA-N 0 0 397.216 3.284 10 30 GGEERN N#Cc1cccnc1N1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000247657484 566063594 /nfs/dbraw/zinc/06/35/94/566063594.db2.gz QIZWKBGSMMPPMY-UHFFFAOYSA-N 0 0 375.259 3.151 10 30 GGEERN Cc1cc(S(=O)(=O)N(C[C@H](C)C#N)C2CC2)c(F)cc1Br ZINC000416438167 566068285 /nfs/dbraw/zinc/06/82/85/566068285.db2.gz AGBYNMKZAJTEFX-SECBINFHSA-N 0 0 375.263 3.209 10 30 GGEERN N#Cc1ccc(Br)cc1S(=O)(=O)N(CC(F)F)CC1CCC1 ZINC000416440362 566068313 /nfs/dbraw/zinc/06/83/13/566068313.db2.gz OQVAZGVVGIENCB-UHFFFAOYSA-N 0 0 393.253 3.377 10 30 GGEERN C[C@H]1[C@@H](C(F)(F)F)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416475147 566073102 /nfs/dbraw/zinc/07/31/02/566073102.db2.gz IWLOUIMQSGSCFZ-KWQFWETISA-N 0 0 397.216 3.282 10 30 GGEERN N#Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](CC(F)(F)F)C1 ZINC000416473214 566073231 /nfs/dbraw/zinc/07/32/31/566073231.db2.gz VMBBBOAESVDWQU-VIFPVBQESA-N 0 0 397.216 3.284 10 30 GGEERN Cc1cc(S(=O)(=O)N[C@H]2CC[C@@H](CC#N)C2)c(F)cc1Br ZINC000416492253 566076453 /nfs/dbraw/zinc/07/64/53/566076453.db2.gz CGGGIABJRDSNPN-QWRGUYRKSA-N 0 0 375.263 3.257 10 30 GGEERN CC1(C#N)CCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)CC1 ZINC000365020274 566079409 /nfs/dbraw/zinc/07/94/09/566079409.db2.gz PCZRVXSARJTKLX-AWEZNQCLSA-N 0 0 391.313 3.363 10 30 GGEERN N#Cc1cc(S(=O)(=O)N(CC(F)(F)F)c2ccncc2)ccc1Cl ZINC000180795965 566089711 /nfs/dbraw/zinc/08/97/11/566089711.db2.gz SMERBXUSEDTPQK-UHFFFAOYSA-N 0 0 375.759 3.364 10 30 GGEERN N#Cc1ccc(CN2CCC(C(=O)N3CCCC3)CC2)c(Br)c1 ZINC000180890000 566097667 /nfs/dbraw/zinc/09/76/67/566097667.db2.gz ATOPUJLNBFBNSB-UHFFFAOYSA-N 0 0 376.298 3.155 10 30 GGEERN C[C@@H]1CC(C)(C)CN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000416624093 566097865 /nfs/dbraw/zinc/09/78/65/566097865.db2.gz YWGOGNCBWSUFNK-SECBINFHSA-N 0 0 375.263 3.269 10 30 GGEERN C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(Br)c(C(=O)OC)c1 ZINC000180915666 566098650 /nfs/dbraw/zinc/09/86/50/566098650.db2.gz RPFWEVWLBXHJRY-NSHDSACASA-N 0 0 397.269 3.035 10 30 GGEERN N#CC1(CNS(=O)(=O)c2ccc(Br)cc2C(F)(F)F)CCC1 ZINC000416674986 566103029 /nfs/dbraw/zinc/10/30/29/566103029.db2.gz WNPSTOQHRPVNOE-UHFFFAOYSA-N 0 0 397.216 3.440 10 30 GGEERN COc1ccccc1CN(CCO)Cc1ccc(C#N)cc1Br ZINC000181078042 566111886 /nfs/dbraw/zinc/11/18/86/566111886.db2.gz CBELGXJSKDYWDA-UHFFFAOYSA-N 0 0 375.266 3.324 10 30 GGEERN N#Cc1csc(CNc2ccc(S(=O)(=O)N3CCCCCC3)cc2)n1 ZINC000416991050 566118451 /nfs/dbraw/zinc/11/84/51/566118451.db2.gz CGDRXTCGHXCFLT-UHFFFAOYSA-N 0 0 376.507 3.192 10 30 GGEERN O=c1[nH]c2c3cc(Br)ccc3[nH]c2c(=O)n1N=Cc1ccccc1 ZINC000253531655 566119736 /nfs/dbraw/zinc/11/97/36/566119736.db2.gz XXLJNFZWELNMAC-UHFFFAOYSA-N 0 0 383.205 3.228 10 30 GGEERN O=C1[C@@H](N[C@@H](c2cccc(F)c2F)C(F)(F)F)CCN1CC(F)(F)F ZINC000181219489 566125202 /nfs/dbraw/zinc/12/52/02/566125202.db2.gz FRQMEJFARAOFFB-ONGXEEELSA-N 0 0 376.247 3.321 10 30 GGEERN C=CCSCCNC(=O)[C@H](C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000181690382 566158015 /nfs/dbraw/zinc/15/80/15/566158015.db2.gz GCCUOHNBTUAJBC-VIFPVBQESA-N 0 0 387.288 3.013 10 30 GGEERN CC(C)c1nc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(C#N)s2)no1 ZINC000366643412 566162071 /nfs/dbraw/zinc/16/20/71/566162071.db2.gz GFQHSKLXHAPLRY-ZDUSSCGKSA-N 0 0 380.495 3.432 10 30 GGEERN C=C[C@@](C)(O)CC(=O)N1CCC[C@H]1c1ccc(I)cc1 ZINC000290330364 566166598 /nfs/dbraw/zinc/16/65/98/566166598.db2.gz LWJZGBGPGOLANR-GOEBONIOSA-N 0 0 385.245 3.282 10 30 GGEERN Cc1ccc(I)c(C(=O)Nc2n[nH]c(C3CC3)c2C#N)c1 ZINC000290453286 566172921 /nfs/dbraw/zinc/17/29/21/566172921.db2.gz LBUSDLCPRGIDTQ-UHFFFAOYSA-N 0 0 392.200 3.324 10 30 GGEERN N#CC1CCC(CNC(=O)N2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000366924270 566177014 /nfs/dbraw/zinc/17/70/14/566177014.db2.gz WJCIWFBLZYUSCX-UHFFFAOYSA-N 0 0 394.317 3.322 10 30 GGEERN COC(=O)c1cc(NC(=O)COc2ccccc2C#N)ccc1Br ZINC000182002628 566177848 /nfs/dbraw/zinc/17/78/48/566177848.db2.gz ZKNUSSACHPYJOA-UHFFFAOYSA-N 0 0 389.205 3.125 10 30 GGEERN C=CC[C@@H](CC)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000366997833 566181173 /nfs/dbraw/zinc/18/11/73/566181173.db2.gz OEGKYRIBNLUMFQ-MRXNPFEDSA-N 0 0 384.929 3.212 10 30 GGEERN Cc1nc(NC(=O)c2cnn(CCC(F)(F)F)c2)sc1SCC#N ZINC000182116045 566184547 /nfs/dbraw/zinc/18/45/47/566184547.db2.gz QISQFVMYVUFZSY-UHFFFAOYSA-N 0 0 375.401 3.468 10 30 GGEERN N#Cc1ccc(OC2CCN(C(=O)c3ccc(Br)cn3)CC2)cc1 ZINC000264021313 566204414 /nfs/dbraw/zinc/20/44/14/566204414.db2.gz HUNIEJLOCLLWNW-UHFFFAOYSA-N 0 0 386.249 3.399 10 30 GGEERN Cn1cc(Br)cc1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264018161 566204566 /nfs/dbraw/zinc/20/45/66/566204566.db2.gz GAPYPVYDBMRKMY-UHFFFAOYSA-N 0 0 388.265 3.343 10 30 GGEERN N#Cc1ccc(NC(=O)N[C@H](c2nc[nH]n2)c2ccccc2)cc1Br ZINC000367581562 566208287 /nfs/dbraw/zinc/20/82/87/566208287.db2.gz WAGJEKDRTOHBJY-HNNXBMFYSA-N 0 0 397.236 3.350 10 30 GGEERN N#CCN1CCN(C(=O)[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000182782852 566223611 /nfs/dbraw/zinc/22/36/11/566223611.db2.gz UFZLVQQOOYORBN-WBVHZDCISA-N 0 0 382.291 3.129 10 30 GGEERN N#CCN1CCN(C(=O)[C@@H]2CCCO[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000182782835 566224107 /nfs/dbraw/zinc/22/41/07/566224107.db2.gz UFZLVQQOOYORBN-NVXWUHKLSA-N 0 0 382.291 3.129 10 30 GGEERN N#CC1CCC(CNC(=O)C2(c3cccc(Br)c3)CC(=O)C2)CC1 ZINC000291570245 566226003 /nfs/dbraw/zinc/22/60/03/566226003.db2.gz NXTJUZBKTLBRQL-UHFFFAOYSA-N 0 0 389.293 3.496 10 30 GGEERN Cc1cc(C)nc(SCC(=O)N[C@H](C#N)c2ccc(Br)cc2)n1 ZINC000264927568 566227693 /nfs/dbraw/zinc/22/76/93/566227693.db2.gz XBXAJICPHWFLNG-CQSZACIVSA-N 0 0 391.294 3.329 10 30 GGEERN C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000264916901 566227981 /nfs/dbraw/zinc/22/79/81/566227981.db2.gz STSRERVTCXYZPS-GXFFZTMASA-N 0 0 382.258 3.043 10 30 GGEERN Cc1sc(=O)n(CCC(=O)N[C@@H](C#N)c2ccc(Br)cc2)c1C ZINC000265177515 566232470 /nfs/dbraw/zinc/23/24/70/566232470.db2.gz FAYLCYIRZKSQKQ-AWEZNQCLSA-N 0 0 394.294 3.060 10 30 GGEERN COc1ccc(OC)c([C@H](C)NC(=O)CSCc2nc(C#N)cs2)c1 ZINC000419635391 566240267 /nfs/dbraw/zinc/24/02/67/566240267.db2.gz CHZUDTGYDXTXMF-NSHDSACASA-N 0 0 377.491 3.143 10 30 GGEERN CN(Cc1ccccc1Br)C(=O)CSCc1ncc(C#N)cn1 ZINC000419635651 566240294 /nfs/dbraw/zinc/24/02/94/566240294.db2.gz RKIUMGHMBUHQBH-UHFFFAOYSA-N 0 0 391.294 3.003 10 30 GGEERN COc1ccc(CN(C)C(=O)[C@@H](C)SCc2nc(C#N)cs2)cc1F ZINC000419635929 566240312 /nfs/dbraw/zinc/24/03/12/566240312.db2.gz DEIQSNBJMCYVTJ-LLVKDONJSA-N 0 0 379.482 3.443 10 30 GGEERN C[C@H](SCc1nc(C#N)cs1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000419646753 566240731 /nfs/dbraw/zinc/24/07/31/566240731.db2.gz NSXXTCRRSFCMKV-NSHDSACASA-N 0 0 375.475 3.436 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCC[C@H]2CC(=O)c2cccs2)ccc1F ZINC000183244591 566242115 /nfs/dbraw/zinc/24/21/15/566242115.db2.gz UKODNRJSWDSMBR-ZDUSSCGKSA-N 0 0 378.450 3.185 10 30 GGEERN C=CC[C@@H](CO)NC(=O)Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000183268114 566242554 /nfs/dbraw/zinc/24/25/54/566242554.db2.gz KQHHPYVSSYGDFH-ZDUSSCGKSA-N 0 0 393.241 3.090 10 30 GGEERN N#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC23CCCC3)c1Br ZINC000419727465 566243280 /nfs/dbraw/zinc/24/32/80/566243280.db2.gz LLDCPLCVCCEWFY-CYBMUJFWSA-N 0 0 376.254 3.098 10 30 GGEERN CC(C)CCN(CCC#N)C(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000183408686 566246285 /nfs/dbraw/zinc/24/62/85/566246285.db2.gz TUXCGFAFQKORTM-UHFFFAOYSA-N 0 0 394.269 3.182 10 30 GGEERN Cc1cc(Br)cc(C)c1CNC(=O)Nc1ccn(CCC#N)n1 ZINC000266379579 566249553 /nfs/dbraw/zinc/24/95/53/566249553.db2.gz GYZMTPPSIZJJAO-UHFFFAOYSA-N 0 0 376.258 3.498 10 30 GGEERN C[C@H](C(=O)N(c1ccccc1)c1ncccc1Br)n1cnc(C#N)n1 ZINC000462124110 566251412 /nfs/dbraw/zinc/25/14/12/566251412.db2.gz YUKPPTYWFRGLNX-GFCCVEGCSA-N 0 0 397.236 3.233 10 30 GGEERN C=CCn1c(COCC)nnc1N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000508956526 566251694 /nfs/dbraw/zinc/25/16/94/566251694.db2.gz QMTPIWOEUOBGIK-UHFFFAOYSA-N 0 0 381.933 3.038 10 30 GGEERN N#Cc1ccc(N2CCN(Cc3ccncc3Br)CC2)c(F)c1 ZINC000599282587 566252651 /nfs/dbraw/zinc/25/26/51/566252651.db2.gz URGPEMQVLVXBPX-UHFFFAOYSA-N 0 0 375.245 3.177 10 30 GGEERN N#CC1(C[C@@H](O)CN2CCc3c(F)cc(Br)cc3C2)CCOCC1 ZINC000599310811 566252891 /nfs/dbraw/zinc/25/28/91/566252891.db2.gz DDZDLGLLJDRCIE-OAHLLOKOSA-N 0 0 397.288 3.018 10 30 GGEERN N#CC1(C[C@H](O)CN2CCc3c(F)cc(Br)cc3C2)CCOCC1 ZINC000599310810 566253470 /nfs/dbraw/zinc/25/34/70/566253470.db2.gz DDZDLGLLJDRCIE-HNNXBMFYSA-N 0 0 397.288 3.018 10 30 GGEERN CC(C)(CCC#N)CN1C(=O)[C@H]2Cc3c(Br)cccc3CN2C1=O ZINC000419942134 566253598 /nfs/dbraw/zinc/25/35/98/566253598.db2.gz NXFCUFLOOGAINV-OAHLLOKOSA-N 0 0 390.281 3.468 10 30 GGEERN C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C2CC2)C1 ZINC000575141199 566254158 /nfs/dbraw/zinc/25/41/58/566254158.db2.gz NOWGNFKTEROQDR-OAHLLOKOSA-N 0 0 392.301 3.227 10 30 GGEERN C=CCn1c(-c2cccc(Br)c2)nnc1N(C)Cc1ccnn1C ZINC000509002888 566254687 /nfs/dbraw/zinc/25/46/87/566254687.db2.gz UQNOYKOFSYCDIN-UHFFFAOYSA-N 0 0 387.285 3.264 10 30 GGEERN N#CC1(C[C@@H](O)CN2CCc3cc(Br)cc(F)c3C2)CCOCC1 ZINC000599353223 566255446 /nfs/dbraw/zinc/25/54/46/566255446.db2.gz GVAKOPRAFXBEAP-OAHLLOKOSA-N 0 0 397.288 3.018 10 30 GGEERN C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000599370242 566257301 /nfs/dbraw/zinc/25/73/01/566257301.db2.gz HXLGZVONMAMQRJ-RISCZKNCSA-N 0 0 391.269 3.204 10 30 GGEERN C=C(C)CCN1C(=O)N[C@H](Cc2c[nH]c3cccc(Br)c23)C1=O ZINC000419985246 566257690 /nfs/dbraw/zinc/25/76/90/566257690.db2.gz 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CN(C)C[C@@H](NS(=O)(=O)CCCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000599464730 566265219 /nfs/dbraw/zinc/26/52/19/566265219.db2.gz RMWKBADINNTTHT-OAHLLOKOSA-N 0 0 378.325 3.209 10 30 GGEERN N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2scnc2C2CC2)cc1 ZINC000534954933 566267198 /nfs/dbraw/zinc/26/71/98/566267198.db2.gz BDUYMDSNSRHRKI-UHFFFAOYSA-N 0 0 375.475 3.350 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)CCCC1 ZINC000599490817 566268874 /nfs/dbraw/zinc/26/88/74/566268874.db2.gz OIRUXBNIZARXEV-CQSZACIVSA-N 0 0 385.892 3.061 10 30 GGEERN COc1cc(NC(=O)[C@@H](C)Oc2ccccc2C#N)ncc1Br ZINC000534999939 566270238 /nfs/dbraw/zinc/27/02/38/566270238.db2.gz XTLUQVXDYVXFBM-SNVBAGLBSA-N 0 0 376.210 3.130 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@@H](CCO)c2cc(Cl)cc(Cl)c2)CCC1 ZINC000599505578 566270676 /nfs/dbraw/zinc/27/06/76/566270676.db2.gz SCXXBFVHISUIJQ-AWEZNQCLSA-N 0 0 377.293 3.030 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@H](CCO)c2cc(Cl)cc(Cl)c2)CCC1 ZINC000599505579 566270683 /nfs/dbraw/zinc/27/06/83/566270683.db2.gz 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C[C@H](C#N)CN(C(=O)C(=O)Nc1cc2c(cc1Br)CCC2)C1CC1 ZINC000447227895 566396745 /nfs/dbraw/zinc/39/67/45/566396745.db2.gz MSQQOJFAZKVERD-LLVKDONJSA-N 0 0 390.281 3.027 10 30 GGEERN CCC(CC)CN(CCC#N)S(=O)(=O)Cc1ncsc1Br ZINC000601338128 566400037 /nfs/dbraw/zinc/40/00/37/566400037.db2.gz OKPAOHKCIBYEDD-UHFFFAOYSA-N 0 0 394.360 3.387 10 30 GGEERN O=C(c1cccc(F)c1OC(F)(F)F)N1CCC(O)(C(F)(F)F)CC1 ZINC000626291180 566400165 /nfs/dbraw/zinc/40/01/65/566400165.db2.gz XJYFZLXSHBRJPD-UHFFFAOYSA-N 0 0 375.240 3.254 10 30 GGEERN N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000536757290 566400356 /nfs/dbraw/zinc/40/03/56/566400356.db2.gz MNRGUHJEQVWWST-KDOFPFPSSA-N 0 0 376.865 3.268 10 30 GGEERN COc1cc2c(cc1F)CC[C@H]2NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000510638545 566401190 /nfs/dbraw/zinc/40/11/90/566401190.db2.gz RJZDSSZTQUVDJA-OAHLLOKOSA-N 0 0 380.828 3.325 10 30 GGEERN N#CC1(NC(=O)c2ccc3cc(I)ccc3n2)CCC1 ZINC000483803425 566402900 /nfs/dbraw/zinc/40/29/00/566402900.db2.gz 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C=CCn1c([C@@H]2CCCS2)nnc1N(CCOC)Cc1scnc1C ZINC000424128167 566514224 /nfs/dbraw/zinc/51/42/24/566514224.db2.gz REGMQEYDKDQHDC-AWEZNQCLSA-N 0 0 379.555 3.450 10 30 GGEERN C=CCn1c([C@H]2CCCS2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 ZINC000424131760 566514293 /nfs/dbraw/zinc/51/42/93/566514293.db2.gz WWKGVUBYLNTWDO-PUAOIOHZSA-N 0 0 376.551 3.406 10 30 GGEERN COC(=O)Cc1occ(C)c1C(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000485637867 566514311 /nfs/dbraw/zinc/51/43/11/566514311.db2.gz LAQRKKNLHMQJOJ-CYBMUJFWSA-N 0 0 391.221 3.061 10 30 GGEERN C=CCn1c([C@H]2CCCS2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000424130767 566514657 /nfs/dbraw/zinc/51/46/57/566514657.db2.gz VDOCNEICHKIUSY-QWHCGFSZSA-N 0 0 375.464 3.105 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CN[C@H](C(=O)OCC)c1ccc(Br)cc1F ZINC000424122541 566514928 /nfs/dbraw/zinc/51/49/28/566514928.db2.gz GYPKMEFVGPTGHP-UVBJJODRSA-N 0 0 386.261 3.373 10 30 GGEERN COc1cccc(C(=O)COc2cc(C#N)ccc2I)c1 ZINC000538608602 566523111 /nfs/dbraw/zinc/52/31/11/566523111.db2.gz 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/nfs/dbraw/zinc/53/75/01/566537501.db2.gz GUTOWSIRQIVHPB-QMMMGPOBSA-N 0 0 383.195 3.369 10 30 GGEERN N#Cc1ccc(CSCC(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000603740005 566538230 /nfs/dbraw/zinc/53/82/30/566538230.db2.gz WMRJPXMMTUQUHX-ZWKOTPCHSA-N 0 0 376.547 3.305 10 30 GGEERN N#Cc1ccc(OCCNC(=O)NCc2cc(F)ccc2Br)cc1 ZINC000465700275 566541035 /nfs/dbraw/zinc/54/10/35/566541035.db2.gz XBGPQQVDHJZDIT-UHFFFAOYSA-N 0 0 392.228 3.338 10 30 GGEERN C[C@@H](CC(=O)c1cccs1)NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000651617721 566543350 /nfs/dbraw/zinc/54/33/50/566543350.db2.gz NTKRLSYNPXXFRW-ZDUSSCGKSA-N 0 0 376.503 3.489 10 30 GGEERN Cc1c(Br)c2ccccc2n1CC(=O)N[C@@]1(C#N)CCSC1 ZINC000603927179 566545696 /nfs/dbraw/zinc/54/56/96/566545696.db2.gz WLEXMWNKNNFQNL-MRXNPFEDSA-N 0 0 378.295 3.228 10 30 GGEERN C=CC(C)(C)CCNC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000628317815 566546406 /nfs/dbraw/zinc/54/64/06/566546406.db2.gz AFNSVXTVLFGDEH-UHFFFAOYSA-N 0 0 392.297 3.268 10 30 GGEERN C=CC(C)(C)CCNC(=O)c1sccc1S(=O)(=O)NCc1ccco1 ZINC000628317074 566546632 /nfs/dbraw/zinc/54/66/32/566546632.db2.gz VHGXTESROPGAIU-UHFFFAOYSA-N 0 0 382.507 3.152 10 30 GGEERN CN(C)S(=O)(=O)c1ccc(C[S@](=O)CCC2(C#N)CCCCC2)s1 ZINC000424612627 566547280 /nfs/dbraw/zinc/54/72/80/566547280.db2.gz YOTITOCWYZWOJX-HSZRJFAPSA-N 0 0 388.580 3.111 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CN1C(=O)CN([C@H](C)c2cccc(Br)c2)C1=O ZINC000424631052 566549692 /nfs/dbraw/zinc/54/96/92/566549692.db2.gz ZXSGPKOAKCNIQR-INWMFGNUSA-N 0 0 393.281 3.365 10 30 GGEERN COc1ncc(C(=O)Nc2ncccc2OCCCC#N)cc1Br ZINC000424634786 566549739 /nfs/dbraw/zinc/54/97/39/566549739.db2.gz AVKIIWDUIYIAGX-UHFFFAOYSA-N 0 0 391.225 3.183 10 30 GGEERN C=CCCCN(C)C(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC000424685335 566556411 /nfs/dbraw/zinc/55/64/11/566556411.db2.gz SOCRWGSPNPNGHN-UHFFFAOYSA-N 0 0 388.327 3.428 10 30 GGEERN COC(=O)[C@@H]1Cc2c(Br)cccc2CN1Cc1cc(C#N)cs1 ZINC000449421470 566560437 /nfs/dbraw/zinc/56/04/37/566560437.db2.gz AKFMYMWPNREZOR-INIZCTEOSA-N 0 0 391.290 3.482 10 30 GGEERN C=CC[C@@H]1CCN(C(=O)CCNC(=O)c2cc(F)ccc2Br)C1 ZINC000628486359 566562286 /nfs/dbraw/zinc/56/22/86/566562286.db2.gz GZHCFRDWPYXMPR-GFCCVEGCSA-N 0 0 383.261 3.133 10 30 GGEERN C=CC[C@@H]1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000628486157 566562614 /nfs/dbraw/zinc/56/26/14/566562614.db2.gz BUTYCUWDGUHOOZ-CJNGLKHVSA-N 0 0 377.282 3.227 10 30 GGEERN C=CC[C@@H]1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000628486158 566562773 /nfs/dbraw/zinc/56/27/73/566562773.db2.gz BUTYCUWDGUHOOZ-CZUORRHYSA-N 0 0 377.282 3.227 10 30 GGEERN C=CC[C@@H]1CCN(C(=O)c2cc(S(C)(=O)=O)cc(Br)c2C)C1 ZINC000628490098 566562871 /nfs/dbraw/zinc/56/28/71/566562871.db2.gz PMQHQWJXTSXURU-GFCCVEGCSA-N 0 0 386.311 3.199 10 30 GGEERN O=S(=O)(c1cc(F)c(F)c(F)c1)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000651801920 566564544 /nfs/dbraw/zinc/56/45/44/566564544.db2.gz PTCVXHUGENCQBZ-UHFFFAOYSA-N 0 0 377.281 3.159 10 30 GGEERN C[C@@H](C(=O)Nc1ccc(Br)c(Cl)c1Cl)n1cnc(C#N)n1 ZINC000466328325 566566385 /nfs/dbraw/zinc/56/63/85/566566385.db2.gz RYSGGJATXATNNK-LURJTMIESA-N 0 0 389.040 3.419 10 30 GGEERN COc1cc(CNCc2cc3c(cc2Br)OCO3)ccc1C#N ZINC000578940388 566567064 /nfs/dbraw/zinc/56/70/64/566567064.db2.gz DGBQHPBDTYLBJM-UHFFFAOYSA-N 0 0 375.222 3.348 10 30 GGEERN C=CCOc1c(Br)cc(CN2CC[C@](O)(C(F)F)C2)cc1OC ZINC000449474435 566567471 /nfs/dbraw/zinc/56/74/71/566567471.db2.gz RWXFBRPSLFPPJF-MRXNPFEDSA-N 0 0 392.240 3.224 10 30 GGEERN C[C@H](C(=O)N1CCCc2c(Br)ccc(Cl)c21)n1cnc(C#N)n1 ZINC000466333070 566567418 /nfs/dbraw/zinc/56/74/18/566567418.db2.gz OWLLBYHDRBCJIL-SECBINFHSA-N 0 0 394.660 3.106 10 30 GGEERN N#CC1(NC(=O)Cc2noc3ccc(Br)cc23)CCSCC1 ZINC000424760718 566567696 /nfs/dbraw/zinc/56/76/96/566567696.db2.gz DQKINEVTWSPWMH-UHFFFAOYSA-N 0 0 380.267 3.038 10 30 GGEERN CC(C)[C@@](C)(NC(=O)[C@H](C)n1cnc(C#N)n1)c1ccc(Br)cc1 ZINC000466349607 566568034 /nfs/dbraw/zinc/56/80/34/566568034.db2.gz ISLLIQIOXMWGKR-YVEFUNNKSA-N 0 0 390.285 3.161 10 30 GGEERN C=CCC1(C(=O)NCc2cn3cc(Br)cc(C)c3n2)CCOCC1 ZINC000424783888 566569495 /nfs/dbraw/zinc/56/94/95/566569495.db2.gz QRNVMESZODJHHF-UHFFFAOYSA-N 0 0 392.297 3.394 10 30 GGEERN Cc1sc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1Br ZINC000424782509 566569750 /nfs/dbraw/zinc/56/97/50/566569750.db2.gz PAKAKDVFLHYCHW-UHFFFAOYSA-N 0 0 391.294 3.048 10 30 GGEERN COc1ccc(CNCc2nn(C)cc2Br)cc1OCCCC#N ZINC000449487449 566570332 /nfs/dbraw/zinc/57/03/32/566570332.db2.gz YEASSBAEAZFLLC-UHFFFAOYSA-N 0 0 393.285 3.164 10 30 GGEERN C=CCCn1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2OC)nn1 ZINC000424801925 566572868 /nfs/dbraw/zinc/57/28/68/566572868.db2.gz YJRODPSKPHHZDH-NSHDSACASA-N 0 0 379.258 3.116 10 30 GGEERN C[C@H](NC(=O)N[C@@H](CO)c1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000486266784 566573282 /nfs/dbraw/zinc/57/32/82/566573282.db2.gz DUQACQNTQRNZGR-SJCJKPOMSA-N 0 0 388.265 3.415 10 30 GGEERN CC(C)(C)c1csc(NC(=O)C(=O)NCCCc2nccs2)c1C#N ZINC000559908239 566574448 /nfs/dbraw/zinc/57/44/48/566574448.db2.gz LJBGTYLLGVCFNO-UHFFFAOYSA-N 0 0 376.507 3.061 10 30 GGEERN C=CC[C@H](CC)NC(=O)CCCS(=O)(=O)c1cccc(Br)c1 ZINC000424824961 566575516 /nfs/dbraw/zinc/57/55/16/566575516.db2.gz DENHOIPVBNETGW-AWEZNQCLSA-N 0 0 388.327 3.474 10 30 GGEERN N#CC1(NC(=O)CNc2cc(Br)cc([N+](=O)[O-])c2)CCCCC1 ZINC000559947406 566578426 /nfs/dbraw/zinc/57/84/26/566578426.db2.gz LHECPFRFHQXFTN-UHFFFAOYSA-N 0 0 381.230 3.112 10 30 GGEERN C=C(C)[C@H](CC(=O)N[C@]1(CO)CCc2cc(Br)ccc2C1)OCC ZINC000628681780 566578531 /nfs/dbraw/zinc/57/85/31/566578531.db2.gz MMUAUUHTZGOPNY-PKOBYXMFSA-N 0 0 396.325 3.156 10 30 GGEERN C=C(C)[C@H](CC(=O)N[C@@]1(CO)CCc2cc(Br)ccc2C1)OCC ZINC000628681777 566578552 /nfs/dbraw/zinc/57/85/52/566578552.db2.gz MMUAUUHTZGOPNY-HKUYNNGSSA-N 0 0 396.325 3.156 10 30 GGEERN COc1ccc2c(c1)[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)CCO2 ZINC000466513098 566581172 /nfs/dbraw/zinc/58/11/72/566581172.db2.gz HBNZPERTFDCNBO-INIZCTEOSA-N 0 0 378.837 3.022 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000486357886 566581173 /nfs/dbraw/zinc/58/11/73/566581173.db2.gz YPDMASURNGUGAY-GDBMZVCRSA-N 0 0 399.354 3.136 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)CCC(=O)c1cc(Br)ccc1OC ZINC000424914118 566587837 /nfs/dbraw/zinc/58/78/37/566587837.db2.gz MHVBVGJLXQDJMP-LRDDRELGSA-N 0 0 396.281 3.128 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)CC(=O)c1cccc(Br)c1 ZINC000424935609 566588264 /nfs/dbraw/zinc/58/82/64/566588264.db2.gz YEMFINGSNVAYQY-JDFRZJQESA-N 0 0 380.282 3.365 10 30 GGEERN N#C[C@H]1CC[C@@H](NC(=O)[C@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)C1 ZINC000424968269 566591379 /nfs/dbraw/zinc/59/13/79/566591379.db2.gz UZZZHYMJKKVMKM-VUCTXSBTSA-N 0 0 382.291 3.175 10 30 GGEERN N#C[C@@H](NC(=O)c1ccc(NCC2CC2)nc1)c1ccc(Br)cc1 ZINC000513334979 566595722 /nfs/dbraw/zinc/59/57/22/566595722.db2.gz BMLXQMPLRFFXRV-MRXNPFEDSA-N 0 0 385.265 3.083 10 30 GGEERN C[C@H](NC(=O)CSc1ccc(C#N)cc1)c1ncc(Br)cn1 ZINC000486553645 566598183 /nfs/dbraw/zinc/59/81/83/566598183.db2.gz YLLFDCAKEJRJHY-JTQLQIEISA-N 0 0 377.267 3.080 10 30 GGEERN N#Cc1ccc(I)c(OCC(=O)[C@@H]2Cc3ccccc32)c1 ZINC000539709154 566598180 /nfs/dbraw/zinc/59/81/80/566598180.db2.gz WLFZSVXCHVQRIA-CQSZACIVSA-N 0 0 389.192 3.451 10 30 GGEERN CN(C)Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1Br ZINC000466965061 566612264 /nfs/dbraw/zinc/61/22/64/566612264.db2.gz OJJMXCUQOPJNKF-UHFFFAOYSA-N 0 0 394.294 3.183 10 30 GGEERN N#Cc1ccc2ncc(CN3CCN(c4cccc(Br)c4)CC3)n2c1 ZINC000560277227 566613199 /nfs/dbraw/zinc/61/31/99/566613199.db2.gz VZYMEPDJKOAEAA-UHFFFAOYSA-N 0 0 396.292 3.291 10 30 GGEERN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@]2(CC2(F)F)C1 ZINC000652563709 566618826 /nfs/dbraw/zinc/61/88/26/566618826.db2.gz XNDJEHWLADHYQH-CQSZACIVSA-N 0 0 384.228 3.457 10 30 GGEERN C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCCC(F)(F)C1 ZINC000652563201 566619349 /nfs/dbraw/zinc/61/93/49/566619349.db2.gz DIZXKINLAUZKGZ-UHFFFAOYSA-N 0 0 386.244 3.468 10 30 GGEERN C=CCn1c(-c2cc(Br)cn2C)nnc1N(CC)[C@H]1CCCOC1 ZINC000652563234 566619408 /nfs/dbraw/zinc/61/94/08/566619408.db2.gz FSFGRNUHUAMPPQ-AWEZNQCLSA-N 0 0 394.317 3.237 10 30 GGEERN CC(C)CC[C@](C)(O)CNC(=O)COc1cccc(Br)c1C#N ZINC000449959244 566619859 /nfs/dbraw/zinc/61/98/59/566619859.db2.gz KWHJHLKSBYSASE-KRWDZBQOSA-N 0 0 383.286 3.003 10 30 GGEERN COC(C)(C)CS(=O)(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N ZINC000425233875 566620374 /nfs/dbraw/zinc/62/03/74/566620374.db2.gz YTWYNXIELFRGDC-GFCCVEGCSA-N 0 0 378.416 3.174 10 30 GGEERN COCCCCS(=O)(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N ZINC000425229421 566620508 /nfs/dbraw/zinc/62/05/08/566620508.db2.gz UCDOOCRYIAGFPA-ZDUSSCGKSA-N 0 0 378.416 3.176 10 30 GGEERN CCc1cnc(CCNC(=O)COc2cccc(Br)c2C#N)s1 ZINC000449976471 566621069 /nfs/dbraw/zinc/62/10/69/566621069.db2.gz UYUXSNBCHYEOSW-UHFFFAOYSA-N 0 0 394.294 3.077 10 30 GGEERN Cc1c(C#N)cccc1C(=O)N(CCO)Cc1cc(Br)cs1 ZINC000513748117 566621184 /nfs/dbraw/zinc/62/11/84/566621184.db2.gz ZDLWBJMKTZYWQX-UHFFFAOYSA-N 0 0 379.279 3.325 10 30 GGEERN C=CCn1cc(C(=O)N2C[C@@H](c3ccc(Br)cc3)C[C@@H]2C)nn1 ZINC000629238456 566624014 /nfs/dbraw/zinc/62/40/14/566624014.db2.gz BPLHKHIKSKSGII-JSGCOSHPSA-N 0 0 375.270 3.245 10 30 GGEERN C[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000486833354 566626638 /nfs/dbraw/zinc/62/66/38/566626638.db2.gz PIBNZNJOSOQTMB-ZETCQYMHSA-N 0 0 379.360 3.212 10 30 GGEERN N#Cc1c(Cl)cccc1S(=O)(=O)NCCOCc1ccc(Cl)cc1 ZINC000513850403 566631049 /nfs/dbraw/zinc/63/10/49/566631049.db2.gz SZZBFZUHKRYAPO-UHFFFAOYSA-N 0 0 385.272 3.360 10 30 GGEERN COc1nc(C)c(Br)cc1C(=O)N[C@@H](C#N)c1ccc(F)cc1 ZINC000486901146 566634672 /nfs/dbraw/zinc/63/46/72/566634672.db2.gz UJSXQRHHNGLLQO-AWEZNQCLSA-N 0 0 378.201 3.295 10 30 GGEERN Cc1cc(Br)cc2c1CN(S(=O)(=O)c1cccc(C#N)c1)CC2 ZINC000540322376 566645475 /nfs/dbraw/zinc/64/54/75/566645475.db2.gz IKVGTGUTLJYHQU-UHFFFAOYSA-N 0 0 391.290 3.376 10 30 GGEERN C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N(C)Cc1ccc(Cl)s1 ZINC000579920546 566650772 /nfs/dbraw/zinc/65/07/72/566650772.db2.gz MBXZAVJXTAQJRO-UHFFFAOYSA-N 0 0 377.905 3.309 10 30 GGEERN N#Cc1csc(CN2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 ZINC000579938041 566652784 /nfs/dbraw/zinc/65/27/84/566652784.db2.gz UNZBRVYISGLRKF-UHFFFAOYSA-N 0 0 375.885 3.408 10 30 GGEERN N#Cc1cc(Br)cnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC000450277313 566652810 /nfs/dbraw/zinc/65/28/10/566652810.db2.gz LUTZMMXWAWZCPO-UHFFFAOYSA-N 0 0 378.661 3.091 10 30 GGEERN C=CCC1(C(=O)Nc2cc3c(cc2Br)NC(=O)CO3)CCOCC1 ZINC000425531088 566652895 /nfs/dbraw/zinc/65/28/95/566652895.db2.gz LPGDACQBAWUWTE-UHFFFAOYSA-N 0 0 395.253 3.091 10 30 GGEERN Cc1cc(Br)cc2c1CN([C@H](C(N)=O)c1ccc(C#N)cc1)CC2 ZINC000540479625 566653412 /nfs/dbraw/zinc/65/34/12/566653412.db2.gz RESMDBFVNJHGFD-SFHVURJKSA-N 0 0 384.277 3.214 10 30 GGEERN CC(C)[C@@H](C)NC(=O)C1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000450291027 566654241 /nfs/dbraw/zinc/65/42/41/566654241.db2.gz FJZJIKLJDBRBPO-GFCCVEGCSA-N 0 0 379.302 3.093 10 30 GGEERN CCNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccc(Br)cc1C#N ZINC000425545058 566654431 /nfs/dbraw/zinc/65/44/31/566654431.db2.gz UILIGOIUZMAPDT-LJQANCHMSA-N 0 0 398.304 3.384 10 30 GGEERN C=CCCn1cc(C(=O)N2CCCc3c(F)cc(Br)cc32)nn1 ZINC000425561914 566654668 /nfs/dbraw/zinc/65/46/68/566654668.db2.gz QECBIRXEZKDEPU-UHFFFAOYSA-N 0 0 379.233 3.349 10 30 GGEERN COc1cccc(N2CC[C@H](CNc3ncc(Br)cc3C#N)C2)c1 ZINC000450305997 566655732 /nfs/dbraw/zinc/65/57/32/566655732.db2.gz RRFBLUDHONGDFI-CYBMUJFWSA-N 0 0 387.281 3.085 10 30 GGEERN C=CCN(C(=O)c1ccc(-n2cc(Br)cn2)nn1)c1ccccc1 ZINC000487220251 566656278 /nfs/dbraw/zinc/65/62/78/566656278.db2.gz ZOUIUBAVHYWOSV-UHFFFAOYSA-N 0 0 384.237 3.258 10 30 GGEERN COC(=O)c1conc1C(C)(C)NCc1cc(C#N)ccc1Br ZINC000425582347 566657382 /nfs/dbraw/zinc/65/73/82/566657382.db2.gz GNNFBABIMKREFU-UHFFFAOYSA-N 0 0 378.226 3.120 10 30 GGEERN C[C@@H]1CSCCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000487233608 566657880 /nfs/dbraw/zinc/65/78/80/566657880.db2.gz GSLVPYYLFLUSIQ-LBPRGKRZSA-N 0 0 375.885 3.036 10 30 GGEERN Cc1c(C#N)c(Br)ccc1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000425624383 566660021 /nfs/dbraw/zinc/66/00/21/566660021.db2.gz DALHAIRYFMWZBL-UHFFFAOYSA-N 0 0 392.213 3.108 10 30 GGEERN N#Cc1cc(Br)cnc1NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000450348516 566660154 /nfs/dbraw/zinc/66/01/54/566660154.db2.gz RMISHLSDQFBBBU-UHFFFAOYSA-N 0 0 399.292 3.102 10 30 GGEERN N#Cc1cnc(N[C@H]2CCN(c3ccccc3Br)C2)c([N+](=O)[O-])c1 ZINC000450335914 566660229 /nfs/dbraw/zinc/66/02/29/566660229.db2.gz MWRJLOJAKIESNN-LBPRGKRZSA-N 0 0 388.225 3.315 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(I)cc1C ZINC000425620757 566660181 /nfs/dbraw/zinc/66/01/81/566660181.db2.gz JNWLGIAURUVCMI-FZMZJTMJSA-N 0 0 386.233 3.312 10 30 GGEERN Cc1c(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)ccc(Br)c1C#N ZINC000425633256 566661267 /nfs/dbraw/zinc/66/12/67/566661267.db2.gz SDGRFECKSHIFLP-LBPRGKRZSA-N 0 0 390.281 3.359 10 30 GGEERN Cc1c(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)ccc(Br)c1C#N ZINC000425633252 566661489 /nfs/dbraw/zinc/66/14/89/566661489.db2.gz SDGRFECKSHIFLP-GFCCVEGCSA-N 0 0 390.281 3.359 10 30 GGEERN CCc1cnc(N2CCN(c3ncc(Br)cc3C#N)CC2)s1 ZINC000450359817 566662514 /nfs/dbraw/zinc/66/25/14/566662514.db2.gz XZKPRRGQNPNCLH-UHFFFAOYSA-N 0 0 378.299 3.061 10 30 GGEERN CC(=O)N(c1nnc(SCc2ccc(C#N)cc2[N+](=O)[O-])s1)C1CC1 ZINC000580081429 566663090 /nfs/dbraw/zinc/66/30/90/566663090.db2.gz OMHZBMYCNIJZGO-UHFFFAOYSA-N 0 0 375.435 3.126 10 30 GGEERN N#Cc1cc(Br)cnc1N[C@H]1CCN(CCCc2ccccc2)C1=O ZINC000450372357 566663262 /nfs/dbraw/zinc/66/32/62/566663262.db2.gz OKEYHRHMQPEZLO-KRWDZBQOSA-N 0 0 399.292 3.361 10 30 GGEERN N#Cc1cc(Br)cnc1N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000450373568 566663666 /nfs/dbraw/zinc/66/36/66/566663666.db2.gz ANQFFJGXPXDQCJ-LBPRGKRZSA-N 0 0 378.661 3.455 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(I)ccc1C ZINC000425668457 566664504 /nfs/dbraw/zinc/66/45/04/566664504.db2.gz LJABSCXPEJYCKD-FZMZJTMJSA-N 0 0 386.233 3.312 10 30 GGEERN C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000487382750 566668352 /nfs/dbraw/zinc/66/83/52/566668352.db2.gz WLYHXMNKFOZGHA-OAHLLOKOSA-N 0 0 384.567 3.182 10 30 GGEERN COc1cc2c(cc1F)CN(S(=O)(=O)c1ccc(C#N)c(Cl)c1)CC2 ZINC000540736168 566668758 /nfs/dbraw/zinc/66/87/58/566668758.db2.gz SBFRAWWFWYGZHN-UHFFFAOYSA-N 0 0 380.828 3.106 10 30 GGEERN N#CC1(c2ccc(C(=O)Nc3ccc(I)cn3)cc2)CC1 ZINC000540756038 566670639 /nfs/dbraw/zinc/67/06/39/566670639.db2.gz MHMWABUPVSWZNX-UHFFFAOYSA-N 0 0 389.196 3.494 10 30 GGEERN CC(C)(CNS(=O)(=O)c1cc(Br)ccc1C#N)C(F)(F)F ZINC000580171487 566670808 /nfs/dbraw/zinc/67/08/08/566670808.db2.gz PYAHNMTYROJMLM-UHFFFAOYSA-N 0 0 385.205 3.188 10 30 GGEERN C=CC[C@H](CO)NC(=O)Nc1cc(Br)ccc1OC(F)(F)F ZINC000425726842 566671521 /nfs/dbraw/zinc/67/15/21/566671521.db2.gz KFXIZNXNYLIHLO-SECBINFHSA-N 0 0 383.164 3.406 10 30 GGEERN C=CCCn1cc(CS(=O)(=O)[C@H](C)c2cccc(Br)c2)nn1 ZINC000653488884 566672484 /nfs/dbraw/zinc/67/24/84/566672484.db2.gz SODKSSXXTJMFAL-GFCCVEGCSA-N 0 0 384.299 3.293 10 30 GGEERN Cc1c(NC(=O)C(=O)N[C@H]2CC23CCCC3)ccc(Br)c1C#N ZINC000425755839 566674175 /nfs/dbraw/zinc/67/41/75/566674175.db2.gz LLGIAPBRDNFJRT-AWEZNQCLSA-N 0 0 376.254 3.017 10 30 GGEERN COC(=O)C[C@@](C)(NCc1ccc(C#N)cn1)c1ccc(Br)cc1 ZINC000514871387 566674816 /nfs/dbraw/zinc/67/48/16/566674816.db2.gz UXPKXVXTKNKOJA-GOSISDBHSA-N 0 0 388.265 3.284 10 30 GGEERN Cc1c(NC(=O)C(=O)N[C@@H]2CC23CCCC3)ccc(Br)c1C#N ZINC000425755841 566674760 /nfs/dbraw/zinc/67/47/60/566674760.db2.gz LLGIAPBRDNFJRT-CQSZACIVSA-N 0 0 376.254 3.017 10 30 GGEERN C=CCCCNC(=O)C(=O)Nc1cc(Br)ccc1OC(F)(F)F ZINC000425768552 566675549 /nfs/dbraw/zinc/67/55/49/566675549.db2.gz HFBMSKPPUVUANE-UHFFFAOYSA-N 0 0 395.175 3.369 10 30 GGEERN N#Cc1cnc(N[C@@H]2CCN(c3cccc(Br)c3)C2)c([N+](=O)[O-])c1 ZINC000450485193 566676474 /nfs/dbraw/zinc/67/64/74/566676474.db2.gz OHTLVGWVRRZNFK-CYBMUJFWSA-N 0 0 388.225 3.315 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000425785090 566676860 /nfs/dbraw/zinc/67/68/60/566676860.db2.gz NXYWNIDGBNDEDJ-SDBXPKJASA-N 0 0 377.655 3.293 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000425782097 566677411 /nfs/dbraw/zinc/67/74/11/566677411.db2.gz IPWLVMBXMOEQCX-ZANVPECISA-N 0 0 376.762 3.005 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)c(OCC)c(Cl)c1 ZINC000425796579 566678051 /nfs/dbraw/zinc/67/80/51/566678051.db2.gz QZVHVWUZQQISOA-HZMBPMFUSA-N 0 0 387.263 3.038 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NC(C)(C)COc1ncc(Cl)cc1Cl ZINC000425851538 566681291 /nfs/dbraw/zinc/68/12/91/566681291.db2.gz HMUGHBCQEXYTRX-FZMZJTMJSA-N 0 0 388.295 3.436 10 30 GGEERN Cc1cc(C#N)nc(N2CCN([C@H](C)c3ccc(Br)cc3)CC2)n1 ZINC000561199863 566684600 /nfs/dbraw/zinc/68/46/00/566684600.db2.gz BZDMGIDIKICYRR-CQSZACIVSA-N 0 0 386.297 3.302 10 30 GGEERN N#Cc1cc(-c2nc(Cn3cc(Br)cn3)no2)cnc1C(F)(F)F ZINC000580337946 566685872 /nfs/dbraw/zinc/68/58/72/566685872.db2.gz ASURSUBBJYAXBD-UHFFFAOYSA-N 0 0 399.130 3.029 10 30 GGEERN N#Cc1cc(S(=O)(=O)NC[C@H]2CC[C@@H](c3ccccc3)O2)ccc1Cl ZINC000515021339 566686616 /nfs/dbraw/zinc/68/66/16/566686616.db2.gz ZUUIDWWHLHYTJY-QAPCUYQASA-N 0 0 376.865 3.410 10 30 GGEERN CS(=O)(=O)c1cccc(Br)c1NCCOc1ccc(C#N)cc1 ZINC000561214695 566686682 /nfs/dbraw/zinc/68/66/82/566686682.db2.gz ZHXYIEBBOIQFPP-UHFFFAOYSA-N 0 0 395.278 3.215 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000515055253 566687437 /nfs/dbraw/zinc/68/74/37/566687437.db2.gz BNHBECVLVCTQGH-AHIWAGSCSA-N 0 0 384.307 3.462 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CC3(CCC3)[C@@H]2C2CCOCC2)ccc1Cl ZINC000515055524 566687631 /nfs/dbraw/zinc/68/76/31/566687631.db2.gz QQJZEADTHJCSRA-KRWDZBQOSA-N 0 0 380.897 3.181 10 30 GGEERN COC[C@@H](NS(=O)(=O)Cc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000580426895 566692819 /nfs/dbraw/zinc/69/28/19/566692819.db2.gz VPIZWANMZMYYED-GOSISDBHSA-N 0 0 378.881 3.213 10 30 GGEERN Cc1ccccc1[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CCO1 ZINC000515103380 566693146 /nfs/dbraw/zinc/69/31/46/566693146.db2.gz BKWBLFCLPDBYCD-SFHVURJKSA-N 0 0 376.865 3.282 10 30 GGEERN N#C[C@H](NC(=O)Cn1ccc2ccccc2c1=O)c1ccc(Br)cc1 ZINC000468266490 566693914 /nfs/dbraw/zinc/69/39/14/566693914.db2.gz OQYRBDNJKVXLMG-KRWDZBQOSA-N 0 0 396.244 3.145 10 30 GGEERN CCc1nc(C(C)(C)NC(=O)Nc2ccc(C#N)c(Br)c2)no1 ZINC000487871798 566694299 /nfs/dbraw/zinc/69/42/99/566694299.db2.gz CQQSOEQOQUWGJX-UHFFFAOYSA-N 0 0 378.230 3.323 10 30 GGEERN COCC[C@@H]1CCCCN(C(=O)COc2cccc(Br)c2C#N)C1 ZINC000450673950 566695787 /nfs/dbraw/zinc/69/57/87/566695787.db2.gz AKEMFZNZVFXBFM-AWEZNQCLSA-N 0 0 395.297 3.365 10 30 GGEERN N#Cc1ccc(NC(=O)NCCCS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000426158565 566696290 /nfs/dbraw/zinc/69/62/90/566696290.db2.gz DDURKVYMCPUGON-UHFFFAOYSA-N 0 0 377.853 3.197 10 30 GGEERN CC1(C)CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCS1 ZINC000541098137 566696462 /nfs/dbraw/zinc/69/64/62/566696462.db2.gz HIKMVSMQJMWCEF-UHFFFAOYSA-N 0 0 375.885 3.179 10 30 GGEERN N#Cc1ccc(NC(=O)NC[C@H]2COc3ccccc3O2)cc1Br ZINC000487937461 566697566 /nfs/dbraw/zinc/69/75/66/566697566.db2.gz YKCHUWFQHMJSQN-ZDUSSCGKSA-N 0 0 388.221 3.282 10 30 GGEERN Cc1cc(NC(=O)C(=O)N(C[C@H](C)C#N)C2CC2)cc(C)c1Br ZINC000426190591 566697984 /nfs/dbraw/zinc/69/79/84/566697984.db2.gz GSGRLYFEBAVQLE-SNVBAGLBSA-N 0 0 378.270 3.155 10 30 GGEERN Cn1c(C#N)ccc1C(=O)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000450723945 566699025 /nfs/dbraw/zinc/69/90/25/566699025.db2.gz LACUDULVJIIGLR-INIZCTEOSA-N 0 0 392.228 3.012 10 30 GGEERN C=CCN(Cc1cccs1)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000515209954 566699764 /nfs/dbraw/zinc/69/97/64/566699764.db2.gz ZWYDLZWBHGCAFX-AWEZNQCLSA-N 0 0 376.503 3.017 10 30 GGEERN CS(=O)(=O)c1ccc(CNC(=O)CSc2cccc(Cl)c2C#N)cc1 ZINC000541173224 566701035 /nfs/dbraw/zinc/70/10/35/566701035.db2.gz JVIHLUFPMXCXII-UHFFFAOYSA-N 0 0 394.905 3.024 10 30 GGEERN C=CCCS(=O)(=O)N[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000541190654 566702562 /nfs/dbraw/zinc/70/25/62/566702562.db2.gz TXSCDHXIGHIMAC-WBVHZDCISA-N 0 0 388.892 3.025 10 30 GGEERN N#Cc1ccc(NC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1Br ZINC000488011187 566703456 /nfs/dbraw/zinc/70/34/56/566703456.db2.gz XYNJQKNYMUGUHS-MRXNPFEDSA-N 0 0 399.248 3.248 10 30 GGEERN C=CCSc1ccccc1NC(=O)CS(=O)(=O)c1ccccc1OC ZINC000468490675 566703895 /nfs/dbraw/zinc/70/38/95/566703895.db2.gz AXUBAIUSAVJVCA-UHFFFAOYSA-N 0 0 377.487 3.386 10 30 GGEERN C=CCn1c(COc2ccc(Cl)cc2)nnc1S[C@H]1CCCNC1=O ZINC000488023158 566705004 /nfs/dbraw/zinc/70/50/04/566705004.db2.gz HOROIBNWVYURGJ-AWEZNQCLSA-N 0 0 378.885 3.067 10 30 GGEERN COc1ccccc1S(=O)(=O)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000468492966 566705237 /nfs/dbraw/zinc/70/52/37/566705237.db2.gz RUQVMUNASBRLSO-NSHDSACASA-N 0 0 378.837 3.021 10 30 GGEERN COc1ccccc1S(=O)(=O)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000468492965 566705582 /nfs/dbraw/zinc/70/55/82/566705582.db2.gz RUQVMUNASBRLSO-LLVKDONJSA-N 0 0 378.837 3.021 10 30 GGEERN CCN(C[C@@H](C)C#N)S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000561480066 566709228 /nfs/dbraw/zinc/70/92/28/566709228.db2.gz RJEZOTZVRNFGAN-NSHDSACASA-N 0 0 382.283 3.168 10 30 GGEERN C[C@@]1(c2ccc(F)cc2Br)NC(=O)N(CC2(C#N)CCC2)C1=O ZINC000450828672 566710360 /nfs/dbraw/zinc/71/03/60/566710360.db2.gz MIHKIFAFHUTNGP-HNNXBMFYSA-N 0 0 380.217 3.049 10 30 GGEERN N#CCCCNC(=O)N1CCC[C@@H]1c1ccccc1I ZINC000541320963 566716715 /nfs/dbraw/zinc/71/67/15/566716715.db2.gz OSLYPTITGNTVRF-CQSZACIVSA-N 0 0 383.233 3.441 10 30 GGEERN N#Cc1ccc(-c2nc(-c3n[nH]c(-c4cccc(Br)c4)n3)no2)o1 ZINC000426605551 566720710 /nfs/dbraw/zinc/72/07/10/566720710.db2.gz OPJUSKUNXXEATP-UHFFFAOYSA-N 0 0 383.165 3.416 10 30 GGEERN CN(C)C(=O)N[C@H]1CCCN(c2c(Br)cc(Cl)cc2C#N)C1 ZINC000450922338 566722653 /nfs/dbraw/zinc/72/26/53/566722653.db2.gz CROVOLMOFYTQJU-LBPRGKRZSA-N 0 0 385.693 3.214 10 30 GGEERN Cc1ccc([C@@H](NC(=O)NCCOCC(F)(F)C(F)F)C(F)(F)F)o1 ZINC000654246486 566723093 /nfs/dbraw/zinc/72/30/93/566723093.db2.gz JDNKAJCOICWEJJ-SECBINFHSA-N 0 0 380.260 3.408 10 30 GGEERN Cc1c(I)cn(C[C@@H]2CCC(F)(F)C2)c(=O)c1C#N ZINC000450947650 566723371 /nfs/dbraw/zinc/72/33/71/566723371.db2.gz 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ZINC000451492692 566827367 /nfs/dbraw/zinc/82/73/67/566827367.db2.gz DRESBRKWTXPFDL-LLVKDONJSA-N 0 0 397.216 3.268 10 30 GGEERN Cc1cc(S(N)(=O)=O)sc1C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000517456891 566827735 /nfs/dbraw/zinc/82/77/35/566827735.db2.gz BFMKDJIQPAGOGD-SNVBAGLBSA-N 0 0 395.531 3.208 10 30 GGEERN O=S(=O)(NC1CCCC1)[C@H]1CCCN(CC#Cc2ccccc2Cl)C1 ZINC000542886888 566833535 /nfs/dbraw/zinc/83/35/35/566833535.db2.gz PMNAUHNLYHSBBH-SFHVURJKSA-N 0 0 380.941 3.018 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC23CCSCC3)cc1C(F)(F)F ZINC000562929423 566835784 /nfs/dbraw/zinc/83/57/84/566835784.db2.gz DXVGPCPDMJDHFG-LBPRGKRZSA-N 0 0 390.452 3.389 10 30 GGEERN O=S(=O)(C[C@@H]1CCC1(F)F)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000631984642 566837592 /nfs/dbraw/zinc/83/75/92/566837592.db2.gz OXJRVLUQCJIIQB-ZETCQYMHSA-N 0 0 375.281 3.178 10 30 GGEERN C=C1CC(C)(C(=O)NCc2ccc(Br)cc2N2CCOCC2)C1 ZINC000631970926 566838574 /nfs/dbraw/zinc/83/85/74/566838574.db2.gz BLAPGHYHAYNESM-UHFFFAOYSA-N 0 0 379.298 3.258 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCCc2c[nH]c3cc(Cl)ccc23)ccc1F ZINC000610512856 566839802 /nfs/dbraw/zinc/83/98/02/566839802.db2.gz USXIAUZBMUQFKC-UHFFFAOYSA-N 0 0 377.828 3.353 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cnn(-c2cccc(Br)c2)c1C ZINC000562996208 566841430 /nfs/dbraw/zinc/84/14/30/566841430.db2.gz SKYKERAYSSREFM-GUYCJALGSA-N 0 0 390.281 3.264 10 30 GGEERN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cccc2ncnn21 ZINC000542940341 566841653 /nfs/dbraw/zinc/84/16/53/566841653.db2.gz REAALNVXMVGHJN-UHFFFAOYSA-N 0 0 389.228 3.459 10 30 GGEERN Cc1nc(NC(=O)Cc2cccc(C#N)c2)ccc1I ZINC000610550949 566842434 /nfs/dbraw/zinc/84/24/34/566842434.db2.gz MPVVFOLFZNKUPY-UHFFFAOYSA-N 0 0 377.185 3.048 10 30 GGEERN CC(C)[C@@H](Sc1cccc(Cl)c1C#N)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000543030849 566847398 /nfs/dbraw/zinc/84/73/98/566847398.db2.gz KXWOIYXSWAIOID-MLGOLLRUSA-N 0 0 379.913 3.052 10 30 GGEERN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCCC1CCOCC1 ZINC000451612177 566850477 /nfs/dbraw/zinc/85/04/77/566850477.db2.gz 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CO[C@@H](CCNC(=O)CSc1nc(C)c(C)c(C)c1C#N)C(F)(F)F ZINC000470316981 566862830 /nfs/dbraw/zinc/86/28/30/566862830.db2.gz HIVXZNAHHGRJJU-ZDUSSCGKSA-N 0 0 375.416 3.054 10 30 GGEERN CO[C@H](CCNC(=O)CSc1nc(C)c(C)c(C)c1C#N)C(F)(F)F ZINC000470316980 566863716 /nfs/dbraw/zinc/86/37/16/566863716.db2.gz HIVXZNAHHGRJJU-CYBMUJFWSA-N 0 0 375.416 3.054 10 30 GGEERN COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000610787272 566864219 /nfs/dbraw/zinc/86/42/19/566864219.db2.gz CUZDCYDZHWSTMZ-IAGOWNOFSA-N 0 0 384.307 3.373 10 30 GGEERN C=CCOCCNC(=O)N1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000679631032 566864366 /nfs/dbraw/zinc/86/43/66/566864366.db2.gz UIDRVSVVKYWNSW-HNNXBMFYSA-N 0 0 396.329 3.040 10 30 GGEERN C=CCOCCNC(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000679630901 566864551 /nfs/dbraw/zinc/86/45/51/566864551.db2.gz YYISVXXGMVAFLU-OAHLLOKOSA-N 0 0 386.279 3.309 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCc1nc(-c2ccccn2)no1 ZINC000610796962 566865435 /nfs/dbraw/zinc/86/54/35/566865435.db2.gz 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ZINC000564885221 567018226 /nfs/dbraw/zinc/01/82/26/567018226.db2.gz GPZOTLPWXLARTL-VQISRLSMSA-N 0 0 383.261 3.466 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc2cc(Br)ccc2n1CC ZINC000613196948 567019239 /nfs/dbraw/zinc/01/92/39/567019239.db2.gz XJSDIADWMNHLQV-AWEZNQCLSA-N 0 0 393.285 3.228 10 30 GGEERN CC(=O)c1cc(Br)ccc1OCC(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000634197127 567024419 /nfs/dbraw/zinc/02/44/19/567024419.db2.gz GNOLGUUVTVQCBR-DOMZBBRYSA-N 0 0 379.254 3.181 10 30 GGEERN CC(=O)c1cc(Br)ccc1OCC(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC000634197130 567024496 /nfs/dbraw/zinc/02/44/96/567024496.db2.gz GNOLGUUVTVQCBR-WFASDCNBSA-N 0 0 379.254 3.181 10 30 GGEERN O=C(c1c(F)cc(C(F)(F)F)cc1F)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000634235995 567025374 /nfs/dbraw/zinc/02/53/74/567025374.db2.gz XDYZBPDCPLVQCU-POYBYMJQSA-N 0 0 377.231 3.226 10 30 GGEERN N#Cc1nc(N2CCN(CCOc3ccc(Cl)cc3)CC2)ccc1Cl ZINC000520988906 567034038 /nfs/dbraw/zinc/03/40/38/567034038.db2.gz OAUKIEWKKUDVNA-UHFFFAOYSA-N 0 0 377.275 3.461 10 30 GGEERN CN(C)S(=O)(=O)c1ccc(CSCc2ccc(C#N)cc2[N+](=O)[O-])s1 ZINC000565055754 567035182 /nfs/dbraw/zinc/03/51/82/567035182.db2.gz ZIEYEMLBBKIZGD-UHFFFAOYSA-N 0 0 397.503 3.212 10 30 GGEERN C=C(C)C[C@@H](C)C(=O)N1Cc2cccc(Br)c2C[C@H]1C(=O)OC ZINC000452961350 567036336 /nfs/dbraw/zinc/03/63/36/567036336.db2.gz UHKYGQZNWJGHTA-WBMJQRKESA-N 0 0 380.282 3.478 10 30 GGEERN N#CCC1(CNC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000430843180 567037509 /nfs/dbraw/zinc/03/75/09/567037509.db2.gz DNEIGQBXULXWHI-UHFFFAOYSA-N 0 0 376.766 3.126 10 30 GGEERN Cc1ncc(Br)cc1NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C ZINC000452998516 567040117 /nfs/dbraw/zinc/04/01/17/567040117.db2.gz MDJLLXMNCSFWCV-INIZCTEOSA-N 0 0 382.258 3.353 10 30 GGEERN C=CCn1c(SC[C@H](O)CC2(O)CCC2)nc2sc(C)c(C)c2c1=O ZINC000634637843 567042831 /nfs/dbraw/zinc/04/28/31/567042831.db2.gz CSBVXDWTSHCZHV-CYBMUJFWSA-N 0 0 380.535 3.019 10 30 GGEERN COCCSc1ccc([C@@H](C)NS(=O)(=O)CC2(C#N)CCCC2)cc1 ZINC000545356550 567043214 /nfs/dbraw/zinc/04/32/14/567043214.db2.gz CXAFIRAJAZSQMT-OAHLLOKOSA-N 0 0 382.551 3.489 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CCCC1 ZINC000545362522 567043569 /nfs/dbraw/zinc/04/35/69/567043569.db2.gz OWWXZZMBSJWTGO-CYBMUJFWSA-N 0 0 385.892 3.061 10 30 GGEERN COC(=O)[C@H](CF)NCc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000584534406 567050411 /nfs/dbraw/zinc/05/04/11/567050411.db2.gz OPZXXFDATYDANF-JQWIXIFHSA-N 0 0 377.256 3.159 10 30 GGEERN C=C[C@@H]1CCCCN1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000495217700 567053323 /nfs/dbraw/zinc/05/33/23/567053323.db2.gz CMFNFJFXXOUVSM-CQSZACIVSA-N 0 0 390.285 3.484 10 30 GGEERN C=C[C@H]1CCCCN1C(=O)NCc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000495217600 567053401 /nfs/dbraw/zinc/05/34/01/567053401.db2.gz CMFNFJFXXOUVSM-AWEZNQCLSA-N 0 0 390.285 3.484 10 30 GGEERN N#Cc1ccc(OCC(=O)Nc2cnc(CC3CC3)nc2)cc1Br ZINC000584571411 567056140 /nfs/dbraw/zinc/05/61/40/567056140.db2.gz ROULWJSKDLKQNL-UHFFFAOYSA-N 0 0 387.237 3.081 10 30 GGEERN C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCc2sc(Cl)cc2C1 ZINC000584590069 567057893 /nfs/dbraw/zinc/05/78/93/567057893.db2.gz JQXCMYAVDIJCAL-CYBMUJFWSA-N 0 0 380.901 3.220 10 30 GGEERN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCc2sc(Cl)cc2C1 ZINC000584590070 567057926 /nfs/dbraw/zinc/05/79/26/567057926.db2.gz JQXCMYAVDIJCAL-ZDUSSCGKSA-N 0 0 380.901 3.220 10 30 GGEERN C[C@H]1COCC[C@H]1c1noc(COc2ccc(C#N)c(Br)c2)n1 ZINC000453175695 567059292 /nfs/dbraw/zinc/05/92/92/567059292.db2.gz PIMLUQDAWKIKKS-GXFFZTMASA-N 0 0 378.226 3.423 10 30 GGEERN N#CCC1(CNC(=O)CCC[S@](=O)c2ccc(Br)cc2)CC1 ZINC000431158120 567059478 /nfs/dbraw/zinc/05/94/78/567059478.db2.gz HUCFCXJSBKNKQW-QFIPXVFZSA-N 0 0 383.311 3.147 10 30 GGEERN C[C@@H]1COCC[C@@H]1c1noc(COc2cccc(Br)c2C#N)n1 ZINC000453169157 567059542 /nfs/dbraw/zinc/05/95/42/567059542.db2.gz GFHZFSYKENBFSJ-MNOVXSKESA-N 0 0 378.226 3.423 10 30 GGEERN N#CCC1(CNC(=O)c2ccc3cc(I)ccc3n2)CC1 ZINC000431174120 567061981 /nfs/dbraw/zinc/06/19/81/567061981.db2.gz ZFAASBBBQUKNHN-UHFFFAOYSA-N 0 0 391.212 3.263 10 30 GGEERN C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](CO)c1ccsc1 ZINC000473153181 567065204 /nfs/dbraw/zinc/06/52/04/567065204.db2.gz UCQZLJJJUXQQDK-XJKSGUPXSA-N 0 0 375.519 3.262 10 30 GGEERN N#Cc1c(NC(=O)CN[C@H](CO)c2ccsc2)sc2c1CCCCC2 ZINC000473155655 567065653 /nfs/dbraw/zinc/06/56/53/567065653.db2.gz ANNSFCBYUGZQEX-OAHLLOKOSA-N 0 0 375.519 3.212 10 30 GGEERN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](CO)c1ccsc1 ZINC000473166627 567066031 /nfs/dbraw/zinc/06/60/31/567066031.db2.gz IJWAVQPLAKRIRL-CZUORRHYSA-N 0 0 375.519 3.404 10 30 GGEERN N#CC1(CS(=O)(=O)NCC2(c3ccccc3Cl)CCOCC2)CCC1 ZINC000584754903 567066422 /nfs/dbraw/zinc/06/64/22/567066422.db2.gz SPIAYKFZOVDUAW-UHFFFAOYSA-N 0 0 382.913 3.001 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC000613866043 567068065 /nfs/dbraw/zinc/06/80/65/567068065.db2.gz KLMLMUGVWRLCQC-NHYWBVRUSA-N 0 0 383.286 3.106 10 30 GGEERN O=C(NCCOC(F)(F)F)c1c(F)c(F)c(Br)c(F)c1F ZINC000613883824 567069290 /nfs/dbraw/zinc/06/92/90/567069290.db2.gz NHPLKHLSLNAPEF-UHFFFAOYSA-N 0 0 384.045 3.272 10 30 GGEERN C=CCn1c(SCC(=O)N(CC(C)C)CC(F)(F)F)nnc1C1CC1 ZINC000613906603 567070773 /nfs/dbraw/zinc/07/07/73/567070773.db2.gz SQJKQGYBMIZEKY-UHFFFAOYSA-N 0 0 376.448 3.481 10 30 GGEERN C=CCOc1c(Br)cc(CN[C@H]2C[C@@H](C)n3ncnc32)cc1OC ZINC000657567076 567071473 /nfs/dbraw/zinc/07/14/73/567071473.db2.gz IJOJXBUIZPSYFE-RISCZKNCSA-N 0 0 393.285 3.410 10 30 GGEERN C=CCN(CCOC)C(=O)Cc1ccc(Br)c(Br)c1 ZINC000613934382 567071823 /nfs/dbraw/zinc/07/18/23/567071823.db2.gz ULFLMTJJFJHYDK-UHFFFAOYSA-N 0 0 391.103 3.415 10 30 GGEERN N#C[C@H](NC(=O)c1cc(=O)c2ccccc2[nH]1)c1cccc(Br)c1 ZINC000496288588 567073481 /nfs/dbraw/zinc/07/34/81/567073481.db2.gz BUGPFMREMUAPOM-INIZCTEOSA-N 0 0 382.217 3.285 10 30 GGEERN CN(c1ccc(Br)cn1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000584830652 567073821 /nfs/dbraw/zinc/07/38/21/567073821.db2.gz VIKTXHLGUSLESF-UHFFFAOYSA-N 0 0 386.658 3.194 10 30 GGEERN CC1(C)C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000565557092 567077979 /nfs/dbraw/zinc/07/79/79/567077979.db2.gz DLDLDKXCSAKOPM-UHFFFAOYSA-N 0 0 375.837 3.138 10 30 GGEERN CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCOC(C)(C)C ZINC000521869410 567082367 /nfs/dbraw/zinc/08/23/67/567082367.db2.gz QZZLXBKMEFXAPB-UHFFFAOYSA-N 0 0 399.285 3.030 10 30 GGEERN COc1ccc(Br)cc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000545893799 567085749 /nfs/dbraw/zinc/08/57/49/567085749.db2.gz RYBKSTJIOPQRBZ-UHFFFAOYSA-N 0 0 398.220 3.162 10 30 GGEERN CN(CC(C)(C)C#N)C(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000497338091 567089478 /nfs/dbraw/zinc/08/94/78/567089478.db2.gz LIZRXXPZTAZTKB-INIZCTEOSA-N 0 0 384.307 3.375 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CSc2ccc(Br)cc21 ZINC000614150190 567090209 /nfs/dbraw/zinc/09/02/09/567090209.db2.gz JEGXOZZHNXGSHU-UONOGXRCSA-N 0 0 383.311 3.183 10 30 GGEERN N#Cc1cnccc1N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000614148971 567090309 /nfs/dbraw/zinc/09/03/09/567090309.db2.gz HIVXTZCZYOQSQH-SFHVURJKSA-N 0 0 382.265 3.103 10 30 GGEERN N#Cc1csc(C(=O)N2CCN(C(=O)c3cc4sccc4s3)CC2)c1 ZINC000473641719 567095447 /nfs/dbraw/zinc/09/54/47/567095447.db2.gz JYQDERYDURTREJ-UHFFFAOYSA-N 0 0 387.511 3.494 10 30 GGEERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000586777726 567096017 /nfs/dbraw/zinc/09/60/17/567096017.db2.gz WXXBDPKFSACWJP-QMTHXVAHSA-N 0 0 375.778 3.192 10 30 GGEERN N#C[C@@H](NC(=O)c1ccc(-c2nc[nH]n2)cc1)c1ccc(Br)cc1 ZINC000473675834 567097153 /nfs/dbraw/zinc/09/71/53/567097153.db2.gz NKKBOZKXMMHBSU-OAHLLOKOSA-N 0 0 382.221 3.229 10 30 GGEERN C=C(C)CNC(=O)c1cc(Br)cc(I)c1 ZINC000586808962 567097407 /nfs/dbraw/zinc/09/74/07/567097407.db2.gz PDXNZCREVZHDRD-UHFFFAOYSA-N 0 0 380.023 3.360 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000614254173 567098568 /nfs/dbraw/zinc/09/85/68/567098568.db2.gz QKVODCVQYPBEKD-MAZHCROVSA-N 0 0 383.261 3.031 10 30 GGEERN C=CCN(CCc1ccco1)c1nnc(-c2cc(Br)cn2C)n1C ZINC000565799872 567099839 /nfs/dbraw/zinc/09/98/39/567099839.db2.gz BZTLEDPDGVYSPN-UHFFFAOYSA-N 0 0 390.285 3.411 10 30 GGEERN N#Cc1ccc(NCC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000586836049 567100834 /nfs/dbraw/zinc/10/08/34/567100834.db2.gz WFFMKQDUEZNKPR-UHFFFAOYSA-N 0 0 375.182 3.280 10 30 GGEERN CN(Cc1cccc(OC(F)(F)F)c1)S(=O)(=O)CC1(C#N)CCCC1 ZINC000546072601 567102119 /nfs/dbraw/zinc/10/21/19/567102119.db2.gz FZOHQFUHZDOITJ-UHFFFAOYSA-N 0 0 376.400 3.431 10 30 GGEERN N#Cc1cc(Cl)cc(Br)c1N1CCN(C(=O)N2CCCC2)CC1 ZINC000587088655 567103274 /nfs/dbraw/zinc/10/32/74/567103274.db2.gz BKMGAFVWRJEPQP-UHFFFAOYSA-N 0 0 397.704 3.312 10 30 GGEERN Cc1cccn2cc(CC(=O)N[C@@H](C#N)c3ccc(Br)cc3)nc12 ZINC000522203100 567104880 /nfs/dbraw/zinc/10/48/80/567104880.db2.gz NACMKYYXRFWANT-INIZCTEOSA-N 0 0 383.249 3.329 10 30 GGEERN N#Cc1cc(Cl)cc(Br)c1N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000587862101 567104935 /nfs/dbraw/zinc/10/49/35/567104935.db2.gz IADLAPPRYGGHPZ-CABCVRRESA-N 0 0 384.705 3.010 10 30 GGEERN COCc1nc2n(n1)C[C@@H](Nc1c(Br)cc(Cl)cc1C#N)CC2 ZINC000587996476 567106867 /nfs/dbraw/zinc/10/68/67/567106867.db2.gz RIBBLCQMKXXOCX-NSHDSACASA-N 0 0 396.676 3.139 10 30 GGEERN N#Cc1cc(Cl)cc(Br)c1N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000588017579 567108362 /nfs/dbraw/zinc/10/83/62/567108362.db2.gz OOSPTWFYBJPGME-GFCCVEGCSA-N 0 0 383.677 3.014 10 30 GGEERN COC[C@@H]1CN(c2c(C#N)cnc3c(Br)cccc32)CC(C)(C)O1 ZINC000588054740 567111212 /nfs/dbraw/zinc/11/12/12/567111212.db2.gz VWUXAPDDFJLIRN-ZDUSSCGKSA-N 0 0 390.281 3.499 10 30 GGEERN COC[C@H]1CN(c2c(C#N)cnc3c(Br)cccc32)CC(C)(C)O1 ZINC000588054739 567111239 /nfs/dbraw/zinc/11/12/39/567111239.db2.gz VWUXAPDDFJLIRN-CYBMUJFWSA-N 0 0 390.281 3.499 10 30 GGEERN N#Cc1cccc(N2CCN(C(=O)Cc3cc(Cl)ccc3Cl)CC2)n1 ZINC000546169721 567111394 /nfs/dbraw/zinc/11/13/94/567111394.db2.gz JARBZBFRSQVNAO-UHFFFAOYSA-N 0 0 375.259 3.151 10 30 GGEERN C=CCOCCN1C(=O)[C@@H](c2ccc(Br)cc2)N(C(C)C)C1=O ZINC000683313078 567113893 /nfs/dbraw/zinc/11/38/93/567113893.db2.gz JDHZGCHUJGIGMR-OAHLLOKOSA-N 0 0 381.270 3.365 10 30 GGEERN CC[C@@H]1CN(c2c(Br)cc(Cl)cc2C#N)C[C@H](C)S1(=O)=O ZINC000588085763 567114164 /nfs/dbraw/zinc/11/41/64/567114164.db2.gz MEOPGSKISDCEPC-JOYOIKCWSA-N 0 0 391.718 3.376 10 30 GGEERN CC[C@H]1CN(c2c(Br)cc(Cl)cc2C#N)C[C@@H](C)S1(=O)=O ZINC000588085764 567114387 /nfs/dbraw/zinc/11/43/87/567114387.db2.gz MEOPGSKISDCEPC-SKDRFNHKSA-N 0 0 391.718 3.376 10 30 GGEERN CC[C@H]1CN(c2c(Br)cc(Cl)cc2C#N)C[C@H](C)S1(=O)=O ZINC000588085762 567114483 /nfs/dbraw/zinc/11/44/83/567114483.db2.gz MEOPGSKISDCEPC-CABZTGNLSA-N 0 0 391.718 3.376 10 30 GGEERN C[C@@]1(C#N)CCCN(S(=O)(=O)c2cc(Br)cc3cccnc32)C1 ZINC000588126348 567115527 /nfs/dbraw/zinc/11/55/27/567115527.db2.gz IHVFFJMWJIHESU-INIZCTEOSA-N 0 0 394.294 3.312 10 30 GGEERN N#Cc1cccc(N2CCN(Cc3c(F)cccc3Br)CC2)n1 ZINC000546214366 567115791 /nfs/dbraw/zinc/11/57/91/567115791.db2.gz OIPWTFOFNOCWGN-UHFFFAOYSA-N 0 0 375.245 3.177 10 30 GGEERN COc1sc(CN2CCN(c3cccc(C#N)n3)CC2)cc1Br ZINC000546261433 567118568 /nfs/dbraw/zinc/11/85/68/567118568.db2.gz PCCCJIFAMLRVPJ-UHFFFAOYSA-N 0 0 393.310 3.108 10 30 GGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cc(Br)cnc1C ZINC000658136228 567123610 /nfs/dbraw/zinc/12/36/10/567123610.db2.gz CMBKYDLFAQBLFG-GXTWGEPZSA-N 0 0 380.286 3.342 10 30 GGEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1cc(C)c(Br)cn1 ZINC000658138338 567123890 /nfs/dbraw/zinc/12/38/90/567123890.db2.gz JFPNVLZBVGSCQP-JSGCOSHPSA-N 0 0 380.286 3.342 10 30 GGEERN Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cscc1C#N ZINC000432035010 567126043 /nfs/dbraw/zinc/12/60/43/567126043.db2.gz ZSRALQJIKWAQJQ-UHFFFAOYSA-N 0 0 378.251 3.059 10 30 GGEERN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cscc2C#N)ccc1C ZINC000432066271 567129462 /nfs/dbraw/zinc/12/94/62/567129462.db2.gz YWZODWIMHVZXBV-UHFFFAOYSA-N 0 0 377.491 3.211 10 30 GGEERN C=C(C)[C@H](Cc1nc(Cc2cc(Br)cnc2OC)no1)OCC ZINC000546470780 567129925 /nfs/dbraw/zinc/12/99/25/567129925.db2.gz VMQHOJYZSCPAKL-ZDUSSCGKSA-N 0 0 382.258 3.350 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc2c(cccc2Br)s1 ZINC000614798379 567139071 /nfs/dbraw/zinc/13/90/71/567139071.db2.gz GAUNNSHWXXNHJO-NSHDSACASA-N 0 0 382.283 3.468 10 30 GGEERN C=CC[C@H]1CCCN(C(=O)C(=O)Nc2nc(-c3sccc3C)ns2)C1 ZINC000658435963 567142628 /nfs/dbraw/zinc/14/26/28/567142628.db2.gz UOYXKSVBYXYJSF-LBPRGKRZSA-N 0 0 376.507 3.328 10 30 GGEERN Cc1cnc(C2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)s1 ZINC000432309415 567148201 /nfs/dbraw/zinc/14/82/01/567148201.db2.gz ZTFYMSREUQCOJX-UHFFFAOYSA-N 0 0 379.482 3.172 10 30 GGEERN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000566313631 567148971 /nfs/dbraw/zinc/14/89/71/567148971.db2.gz KOSPGBFDZWFXER-PIGZYNQJSA-N 0 0 398.260 3.309 10 30 GGEERN C=CCOCCCNC(=O)C(=O)Nc1nc(-c2ccc(C)s2)c(C)s1 ZINC000658619838 567150433 /nfs/dbraw/zinc/15/04/33/567150433.db2.gz FARRQSBEYPZXOQ-UHFFFAOYSA-N 0 0 379.507 3.136 10 30 GGEERN CSC[C@@](C)(C#N)NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000589048162 567151431 /nfs/dbraw/zinc/15/14/31/567151431.db2.gz ZCVJNBJSRPXFIH-OAHLLOKOSA-N 0 0 380.267 3.078 10 30 GGEERN Cc1cc(Br)cn2cc(CCNC(=O)Cc3cccc(C#N)c3)nc12 ZINC000546770088 567156404 /nfs/dbraw/zinc/15/64/04/567156404.db2.gz PNJHUTFPZDWKHV-UHFFFAOYSA-N 0 0 397.276 3.178 10 30 GGEERN CN(C)c1cc(C#N)cc(C(=O)NCc2cc(F)cc(Br)c2)c1 ZINC000432393564 567156817 /nfs/dbraw/zinc/15/68/17/567156817.db2.gz GFKPTNDTQDKCJF-UHFFFAOYSA-N 0 0 376.229 3.456 10 30 GGEERN N#Cc1cc(F)c(N[C@@H]2CCCN(c3ncccn3)C2)cc1Br ZINC000589108251 567157810 /nfs/dbraw/zinc/15/78/10/567157810.db2.gz TWTHDPRKVFZBBP-GFCCVEGCSA-N 0 0 376.233 3.331 10 30 GGEERN N#CC1(CS(=O)(=O)NCCc2nc3cc(Cl)ccc3s2)CCCC1 ZINC000546775839 567158302 /nfs/dbraw/zinc/15/83/02/567158302.db2.gz ULPZACHFMDQNSU-UHFFFAOYSA-N 0 0 383.926 3.496 10 30 GGEERN N#CC1(CS(=O)(=O)NCCc2ccc(F)c(Br)c2)CCCC1 ZINC000546799298 567161037 /nfs/dbraw/zinc/16/10/37/567161037.db2.gz MUTNOPBJNAEADJ-UHFFFAOYSA-N 0 0 389.290 3.134 10 30 GGEERN CN(Cc1cc(Br)cs1)S(=O)(=O)CC1(C#N)CCCC1 ZINC000546800578 567161643 /nfs/dbraw/zinc/16/16/43/567161643.db2.gz OAGLAUPETWLEGV-UHFFFAOYSA-N 0 0 377.329 3.356 10 30 GGEERN N#Cc1cccc(N2CCN(C(=O)Cc3ccc(Cl)cc3Cl)CC2)n1 ZINC000546876132 567166536 /nfs/dbraw/zinc/16/65/36/567166536.db2.gz DPNWQRYDSNQOCF-UHFFFAOYSA-N 0 0 375.259 3.151 10 30 GGEERN N#Cc1cccc(N2CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000546876170 567166798 /nfs/dbraw/zinc/16/67/98/567166798.db2.gz FZPXQYHTCXWQSD-UHFFFAOYSA-N 0 0 375.259 3.151 10 30 GGEERN C[C@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccc(Br)cc1 ZINC000546875666 567166913 /nfs/dbraw/zinc/16/69/13/567166913.db2.gz ZAPYVYWYPPQIOM-AWEZNQCLSA-N 0 0 399.292 3.168 10 30 GGEERN C=CCCC(C)(C)CNC(=O)C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1 ZINC000636830465 567167030 /nfs/dbraw/zinc/16/70/30/567167030.db2.gz OFYKWDXDSDSSRO-SNVBAGLBSA-N 0 0 377.432 3.448 10 30 GGEERN N#CC1(CS(=O)(=O)NCC2(c3cccc(Br)c3)CC2)CCC1 ZINC000589221691 567167193 /nfs/dbraw/zinc/16/71/93/567167193.db2.gz MBJAHOHSWAZNGR-UHFFFAOYSA-N 0 0 383.311 3.094 10 30 GGEERN C=CC(C)(C)CCNC(=O)C(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000636829228 567167646 /nfs/dbraw/zinc/16/76/46/567167646.db2.gz JCNSFSAQEYORIL-SNVBAGLBSA-N 0 0 377.432 3.448 10 30 GGEERN N#C[C@H](NC(=O)c1cccc(C(=O)NC2CC2)c1)c1ccccc1Br ZINC000615243228 567171239 /nfs/dbraw/zinc/17/12/39/567171239.db2.gz FQERVVIRUAWTCE-KRWDZBQOSA-N 0 0 398.260 3.336 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)Cc2ncc(Br)s2)cc1F ZINC000432621090 567171811 /nfs/dbraw/zinc/17/18/11/567171811.db2.gz JKOFPEYVDUUNPL-UHFFFAOYSA-N 0 0 375.244 3.031 10 30 GGEERN C[C@](CO)(NC(=O)Nc1ccc(C#N)c(F)c1)c1ccc(Br)cc1 ZINC000589349930 567176166 /nfs/dbraw/zinc/17/61/66/567176166.db2.gz FRAJCQCZPQEQOH-QGZVFWFLSA-N 0 0 392.228 3.489 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000615289059 567176594 /nfs/dbraw/zinc/17/65/94/567176594.db2.gz DQVOJTBYNJGSAY-SJLPKXTDSA-N 0 0 393.325 3.311 10 30 GGEERN N#C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000432765932 567186823 /nfs/dbraw/zinc/18/68/23/567186823.db2.gz OERGWVHZPIOQLT-CQSZACIVSA-N 0 0 378.157 3.491 10 30 GGEERN CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1ncc(Br)cn1 ZINC000432762394 567187243 /nfs/dbraw/zinc/18/72/43/567187243.db2.gz GECWSPUDVSHVNH-JTQLQIEISA-N 0 0 390.241 3.392 10 30 GGEERN N#C[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000432765931 567187371 /nfs/dbraw/zinc/18/73/71/567187371.db2.gz OERGWVHZPIOQLT-AWEZNQCLSA-N 0 0 378.157 3.491 10 30 GGEERN N#Cc1cc(Cl)c(C(=O)NCCCNC(=O)c2ccccc2)c(Cl)c1 ZINC000615492882 567187465 /nfs/dbraw/zinc/18/74/65/567187465.db2.gz KFLCZWYXKAYQTA-UHFFFAOYSA-N 0 0 376.243 3.415 10 30 GGEERN Cc1cc(NC(=O)N2CC[C@](F)(C#N)C2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000615541166 567188900 /nfs/dbraw/zinc/18/89/00/567188900.db2.gz KNDUOADSSMIQLF-INIZCTEOSA-N 0 0 382.226 3.379 10 30 GGEERN CCn1c(-c2ccccc2Br)nnc1N(CCC#N)CCOC ZINC000589637695 567189582 /nfs/dbraw/zinc/18/95/82/567189582.db2.gz KCGRISVIFXQCHP-UHFFFAOYSA-N 0 0 378.274 3.094 10 30 GGEERN N#CC1(CS(=O)(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)CCC1 ZINC000589703653 567191566 /nfs/dbraw/zinc/19/15/66/567191566.db2.gz SNZAGFUXYZOONY-CTYIDZIISA-N 0 0 383.311 3.308 10 30 GGEERN N#CCCCNC(=O)N1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000454770735 567200666 /nfs/dbraw/zinc/20/06/66/567200666.db2.gz BOMIFDMPLRQJGE-AWEZNQCLSA-N 0 0 397.260 3.169 10 30 GGEERN Cc1nsc(N2CCN(C(=O)c3cc4cc(Cl)sc4[nH]3)CC2)c1C#N ZINC000589966623 567200713 /nfs/dbraw/zinc/20/07/13/567200713.db2.gz DOBXSQDJMHNGPI-UHFFFAOYSA-N 0 0 391.909 3.482 10 30 GGEERN N#C[C@H](NC(=O)c1cnn(CC(F)(F)F)c1)c1cccc(Br)c1 ZINC000615742194 567203092 /nfs/dbraw/zinc/20/30/92/567203092.db2.gz KHXCVWRMLIHYAY-LBPRGKRZSA-N 0 0 387.159 3.203 10 30 GGEERN C[C@H]1Cc2ccccc2[C@H]1NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000498796064 567203305 /nfs/dbraw/zinc/20/33/05/567203305.db2.gz SCPIUFCQXDPNJP-GTNSWQLSSA-N 0 0 398.260 3.309 10 30 GGEERN N#C[C@@H](NC(=O)c1ccnc(-c2ncc[nH]2)c1)c1ccc(Br)cc1 ZINC000590064933 567206481 /nfs/dbraw/zinc/20/64/81/567206481.db2.gz YYNZVOMKKMUSGD-OAHLLOKOSA-N 0 0 382.221 3.229 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCC[C@H]2CC(=O)c2ccco2)ccc1Cl ZINC000498886552 567208724 /nfs/dbraw/zinc/20/87/24/567208724.db2.gz ADIQRLLRAMXMEJ-ZDUSSCGKSA-N 0 0 378.837 3.231 10 30 GGEERN C[C@H](NS(=O)(=O)CC1(C#N)CCC1)c1ccc(F)c(Br)c1 ZINC000590166035 567211201 /nfs/dbraw/zinc/21/12/01/567211201.db2.gz NKSPQARNIVNXNW-JTQLQIEISA-N 0 0 375.263 3.262 10 30 GGEERN Cc1cc(Br)cc2c(C(=O)NC[C@@H]3CCCN(CC#N)C3)coc21 ZINC000474932150 567211399 /nfs/dbraw/zinc/21/13/99/567211399.db2.gz TYKNYMPNFKBFBI-ZDUSSCGKSA-N 0 0 390.281 3.469 10 30 GGEERN C[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1ncc(Br)cn1 ZINC000432985599 567212401 /nfs/dbraw/zinc/21/24/01/567212401.db2.gz RFCGOJYMVNYYNO-JTQLQIEISA-N 0 0 385.225 3.012 10 30 GGEERN C[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)c1ncc(Br)cn1 ZINC000432985601 567212480 /nfs/dbraw/zinc/21/24/80/567212480.db2.gz RFCGOJYMVNYYNO-SNVBAGLBSA-N 0 0 385.225 3.012 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCc2c1ccc(F)c2Br ZINC000615871689 567212652 /nfs/dbraw/zinc/21/26/52/567212652.db2.gz NNVZCQKAYNDPSO-GJZGRUSLSA-N 0 0 383.261 3.163 10 30 GGEERN CCN([C@H](C)c1cccnc1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433008785 567215733 /nfs/dbraw/zinc/21/57/33/567215733.db2.gz FBHIGEUZCLYJFG-GFCCVEGCSA-N 0 0 394.294 3.488 10 30 GGEERN Cc1csc([C@@H](C)NS(=O)(=O)c2ccc(C#N)c(Br)c2)n1 ZINC000433098785 567222513 /nfs/dbraw/zinc/22/25/13/567222513.db2.gz XMDFXGIDIODCBQ-SECBINFHSA-N 0 0 386.296 3.125 10 30 GGEERN N#Cc1ccc(NCC(=O)Nc2nccc3cc(Br)ccc32)cc1 ZINC000590384350 567222928 /nfs/dbraw/zinc/22/29/28/567222928.db2.gz HTXPKDRPEPAYQG-UHFFFAOYSA-N 0 0 381.233 3.341 10 30 GGEERN C[C@@H](C#N)CN(Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000567155951 567222962 /nfs/dbraw/zinc/22/29/62/567222962.db2.gz DBWULYDZZDMGFX-JTQLQIEISA-N 0 0 385.205 3.323 10 30 GGEERN C=CCC[C@H](CO)NC(=O)Cc1ccc(Br)c(Br)c1 ZINC000616102069 567228415 /nfs/dbraw/zinc/22/84/15/567228415.db2.gz UIEMOLAPPKUPCS-LLVKDONJSA-N 0 0 391.103 3.197 10 30 GGEERN C=CC[C@@H](CO)NC(=O)NCC1(c2ccc(Br)cc2Cl)CC1 ZINC000455057707 567228716 /nfs/dbraw/zinc/22/87/16/567228716.db2.gz RKZYMDLOHQFCSD-LBPRGKRZSA-N 0 0 387.705 3.370 10 30 GGEERN C[C@@H](CCc1ccc(Br)cc1)NS(=O)(=O)CC1(C#N)CCC1 ZINC000616175582 567231397 /nfs/dbraw/zinc/23/13/97/567231397.db2.gz YLMQVNKABXPBTK-ZDUSSCGKSA-N 0 0 385.327 3.383 10 30 GGEERN COC(=O)c1cncc(C(F)(F)F)c1OCCOCC(F)(F)C(F)F ZINC000590584458 567234378 /nfs/dbraw/zinc/23/43/78/567234378.db2.gz GZDLPUNTJKJLCL-UHFFFAOYSA-N 0 0 379.228 3.183 10 30 GGEERN C[C@H](NC(=O)c1c(F)c(F)c(Br)c(F)c1F)[C@H](O)C(F)(F)F ZINC000616248083 567234947 /nfs/dbraw/zinc/23/49/47/567234947.db2.gz HEWQKAGIMMZKRH-KOWFMYAASA-N 0 0 398.072 3.047 10 30 GGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(Br)ccc1OCCOC ZINC000455099994 567234880 /nfs/dbraw/zinc/23/48/80/567234880.db2.gz ZSGMVEVQYDVNNQ-HIFRSBDPSA-N 0 0 399.285 3.329 10 30 GGEERN N#CCC(=O)N1CCN(C(=O)c2sc3cccc(Cl)c3c2Cl)CC1 ZINC000590679103 567238525 /nfs/dbraw/zinc/23/85/25/567238525.db2.gz DUIDQYVYKVRNAC-UHFFFAOYSA-N 0 0 382.272 3.406 10 30 GGEERN CC(C)(CNC(=O)COc1cccc(Br)c1C#N)[C@H]1CCCCO1 ZINC000590677613 567238794 /nfs/dbraw/zinc/23/87/94/567238794.db2.gz DWNNVQAEOLPRKK-MRXNPFEDSA-N 0 0 395.297 3.411 10 30 GGEERN N#Cc1ccc(N2CC[C@H](Cc3cccc(I)c3)C2)nn1 ZINC000590707867 567240406 /nfs/dbraw/zinc/24/04/06/567240406.db2.gz DZVZWUKHVHFWIU-CYBMUJFWSA-N 0 0 390.228 3.022 10 30 GGEERN COCc1cnc(CN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)s1 ZINC000475346409 567242067 /nfs/dbraw/zinc/24/20/67/567242067.db2.gz GNHSHFDTHWBQRL-KRWDZBQOSA-N 0 0 376.913 3.325 10 30 GGEERN Cc1nn(C)c2nc(C)cc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)c12 ZINC000499391851 567243904 /nfs/dbraw/zinc/24/39/04/567243904.db2.gz BXMIEEYWTAVUHR-HNNXBMFYSA-N 0 0 398.264 3.342 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(-c2ccc(Br)cc2)no1 ZINC000616409111 567244009 /nfs/dbraw/zinc/24/40/09/567244009.db2.gz IJEAJIOFGGOTAU-WFASDCNBSA-N 0 0 377.238 3.425 10 30 GGEERN COC(=O)c1c(C)[nH]c(C(=O)N[C@H](C#N)c2ccc(Br)cc2)c1C ZINC000499394449 567244044 /nfs/dbraw/zinc/24/40/44/567244044.db2.gz UNNYCBCWOGZJEA-CYBMUJFWSA-N 0 0 390.237 3.175 10 30 GGEERN CN(C)C(=O)c1cccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c1 ZINC000499405803 567244958 /nfs/dbraw/zinc/24/49/58/567244958.db2.gz OBIUPBUOZWGGNS-INIZCTEOSA-N 0 0 386.249 3.146 10 30 GGEERN COCCOc1ccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1 ZINC000499407458 567245489 /nfs/dbraw/zinc/24/54/89/567245489.db2.gz UXWLBDVCXIHQPS-QGZVFWFLSA-N 0 0 389.249 3.469 10 30 GGEERN COC(=O)c1ccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c(F)c1 ZINC000475391723 567245897 /nfs/dbraw/zinc/24/58/97/567245897.db2.gz MXPXKGAFSDSDDF-HNNXBMFYSA-N 0 0 391.196 3.369 10 30 GGEERN N#Cc1c(Br)cccc1S(=O)(=O)N1CCOCC12CCCCC2 ZINC000590763943 567246126 /nfs/dbraw/zinc/24/61/26/567246126.db2.gz HWKSEAZZWLZFKU-UHFFFAOYSA-N 0 0 399.310 3.045 10 30 GGEERN N#C[C@@H](NC(=O)CSCc1ccncc1)c1ccc(Br)cc1 ZINC000499423309 567246304 /nfs/dbraw/zinc/24/63/04/567246304.db2.gz RTDNIZZSEIFIDZ-OAHLLOKOSA-N 0 0 376.279 3.458 10 30 GGEERN N#C[C@@H](NC(=O)c1ccc(-n2cncn2)cc1)c1ccc(Br)cc1 ZINC000499423768 567246485 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C=C(C)CS(=O)(=O)N1CCC[C@H]1c1ccccc1I ZINC000435421728 567360594 /nfs/dbraw/zinc/36/05/94/567360594.db2.gz KTUMHLAFDFJWTH-AWEZNQCLSA-N 0 0 391.274 3.334 10 30 GGEERN CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CCc3cc(Br)ccc32)CC1 ZINC000592755847 567360665 /nfs/dbraw/zinc/36/06/65/567360665.db2.gz CFJWURUMQBBSDE-ROUUACIJSA-N 0 0 390.325 3.171 10 30 GGEERN Cc1cnc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)s1 ZINC000592753080 567360677 /nfs/dbraw/zinc/36/06/77/567360677.db2.gz SROVQPBAUDCKBK-UHFFFAOYSA-N 0 0 377.267 3.161 10 30 GGEERN C=C(C)CS(=O)(=O)N1CCC[C@@H]1c1ccccc1I ZINC000435421729 567361132 /nfs/dbraw/zinc/36/11/32/567361132.db2.gz KTUMHLAFDFJWTH-CQSZACIVSA-N 0 0 391.274 3.334 10 30 GGEERN C[C@@H](c1cccnc1)N(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592754607 567361107 /nfs/dbraw/zinc/36/11/07/567361107.db2.gz BUDJKFBHZRVZHL-ZDUSSCGKSA-N 0 0 399.292 3.372 10 30 GGEERN CCOc1cccc([C@@H]2C[C@H]2NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000435421359 567361641 /nfs/dbraw/zinc/36/16/41/567361641.db2.gz JDNSSAAXOSCNPG-FUHWJXTLSA-N 0 0 376.865 3.445 10 30 GGEERN C=CC[C@H]1CCCC[C@H]1NC(=O)NCCn1cc(Br)ccc1=O ZINC000661251228 567362030 /nfs/dbraw/zinc/36/20/30/567362030.db2.gz CRORXNGWEAUYSO-DZGCQCFKSA-N 0 0 382.302 3.045 10 30 GGEERN C[C@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1ccncc1 ZINC000592773986 567362126 /nfs/dbraw/zinc/36/21/26/567362126.db2.gz ZYWZYGCYZUQQLO-CYBMUJFWSA-N 0 0 399.292 3.072 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)Nc2ccc3c(c2)COC3)C1 ZINC000592783963 567362216 /nfs/dbraw/zinc/36/22/16/567362216.db2.gz UXQGRUIRVMCYTD-UHFFFAOYSA-N 0 0 398.260 3.426 10 30 GGEERN N#CCN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)C1CCCC1 ZINC000592766971 567362230 /nfs/dbraw/zinc/36/22/30/567362230.db2.gz JVSQCZDWBPLUBR-UHFFFAOYSA-N 0 0 387.281 3.052 10 30 GGEERN CCc1ncsc1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592780725 567362435 /nfs/dbraw/zinc/36/24/35/567362435.db2.gz PHNSOQAGMKVKLD-UHFFFAOYSA-N 0 0 391.294 3.415 10 30 GGEERN N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H]2C[C@H]2c2ccco2)C1 ZINC000592807499 567363591 /nfs/dbraw/zinc/36/35/91/567363591.db2.gz BDKOUPQCVRIZGT-HUUCEWRRSA-N 0 0 386.249 3.022 10 30 GGEERN C[C@H](CCc1ccc(I)cc1)CC(=O)N1CC(C#N)C1 ZINC000592801137 567363749 /nfs/dbraw/zinc/36/37/49/567363749.db2.gz SECZYMJDQCTKSA-GFCCVEGCSA-N 0 0 382.245 3.232 10 30 GGEERN Cc1cc(C)c(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cn1 ZINC000592804270 567363781 /nfs/dbraw/zinc/36/37/81/567363781.db2.gz XPZMOOAJKMTQGX-UHFFFAOYSA-N 0 0 399.292 3.085 10 30 GGEERN Cc1cc(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cc(C)n1 ZINC000592808686 567363868 /nfs/dbraw/zinc/36/38/68/567363868.db2.gz WWOICPMGVDAFJH-UHFFFAOYSA-N 0 0 399.292 3.085 10 30 GGEERN N#Cc1ccc(OCCNS(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1 ZINC000435433611 567364932 /nfs/dbraw/zinc/36/49/32/567364932.db2.gz SYDUGZZFUMAYSN-UHFFFAOYSA-N 0 0 389.235 3.361 10 30 GGEERN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CC[C@H](OC(F)F)C1 ZINC000548989275 567365695 /nfs/dbraw/zinc/36/56/95/567365695.db2.gz CMTMWOIJLGKHMA-LURJTMIESA-N 0 0 377.216 3.462 10 30 GGEERN Cc1c2cc(Br)cc(C)c2oc1C(=O)N1CC[C@@](O)(CC#N)C1 ZINC000592848790 567367976 /nfs/dbraw/zinc/36/79/76/567367976.db2.gz BIYXLLKCUQNDAP-KRWDZBQOSA-N 0 0 377.238 3.303 10 30 GGEERN C=CCOCCCNC(=O)NCc1c(F)c(F)c(Br)c(F)c1F ZINC000661339678 567367992 /nfs/dbraw/zinc/36/79/92/567367992.db2.gz GVLZSESQCNINQF-UHFFFAOYSA-N 0 0 399.182 3.397 10 30 GGEERN Cc1cc(Br)cc(C)c1CNS(=O)(=O)c1ccc(C#N)s1 ZINC000435442885 567369606 /nfs/dbraw/zinc/36/96/06/567369606.db2.gz NICVBAKKBHZAAT-UHFFFAOYSA-N 0 0 385.308 3.478 10 30 GGEERN N#CCN1CCC[C@@H](CNC(=O)c2cc3c(cncc3Br)s2)C1 ZINC000592945247 567373461 /nfs/dbraw/zinc/37/34/61/567373461.db2.gz HHDVTCPRCOQQFJ-NSHDSACASA-N 0 0 393.310 3.024 10 30 GGEERN CCc1cccnc1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592947788 567374524 /nfs/dbraw/zinc/37/45/24/567374524.db2.gz WUNRHPISPNVDAC-UHFFFAOYSA-N 0 0 385.265 3.353 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000592997977 567375823 /nfs/dbraw/zinc/37/58/23/567375823.db2.gz YLXYGCPRBBGYMZ-UHFFFAOYSA-N 0 0 384.277 3.212 10 30 GGEERN C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CSCc2ccc(Br)cc21 ZINC000618359968 567378022 /nfs/dbraw/zinc/37/80/22/567378022.db2.gz ITLGFPGHLBEOKM-CVEARBPZSA-N 0 0 397.338 3.324 10 30 GGEERN N#Cc1cc(S(=O)(=O)N[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)ccc1Cl ZINC000435603352 567378663 /nfs/dbraw/zinc/37/86/63/567378663.db2.gz HTSXAHDQBAGEEP-XHDPSFHLSA-N 0 0 386.782 3.463 10 30 GGEERN CC(C)Oc1ccc(CNC(=O)Cc2ccc(Br)cc2C#N)cn1 ZINC000593030028 567379651 /nfs/dbraw/zinc/37/96/51/567379651.db2.gz HRBIURRVIDVVDT-UHFFFAOYSA-N 0 0 388.265 3.362 10 30 GGEERN CCS(=O)(=O)CCCCCn1cc(C#N)c(=O)c2cc(C)cc(Cl)c21 ZINC000549200121 567380031 /nfs/dbraw/zinc/38/00/31/567380031.db2.gz MUBMHZFZMCDALG-UHFFFAOYSA-N 0 0 380.897 3.440 10 30 GGEERN C=C(C)C[C@@H](C)C(=O)NC[C@@H](CO)Cc1ccc(OC)c(Br)c1 ZINC000456486021 567380077 /nfs/dbraw/zinc/38/00/77/567380077.db2.gz IFSFRGFLZRTCSK-HIFRSBDPSA-N 0 0 384.314 3.327 10 30 GGEERN CC(C)[C@](C)(C#N)NC(=O)CNC1(c2ccccc2Br)CCC1 ZINC000593038773 567380993 /nfs/dbraw/zinc/38/09/93/567380993.db2.gz HNVKPNZXAAZTHH-KRWDZBQOSA-N 0 0 378.314 3.472 10 30 GGEERN CCN(C[C@@H](C)C#N)C(=O)CNC1(c2ccccc2Br)CCC1 ZINC000593038288 567381174 /nfs/dbraw/zinc/38/11/74/567381174.db2.gz BTPQLCHADLPKCD-AWEZNQCLSA-N 0 0 378.314 3.426 10 30 GGEERN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)Cc1ccc(Br)cc1C#N ZINC000593080385 567383965 /nfs/dbraw/zinc/38/39/65/567383965.db2.gz ICGVQFFMUCHAQO-KSSFIOAISA-N 0 0 379.298 3.431 10 30 GGEERN C[C@H](NC(=O)Cc1ccc(Br)cc1C#N)c1nc(C(C)(C)C)no1 ZINC000593075095 567384313 /nfs/dbraw/zinc/38/43/13/567384313.db2.gz BDTKSLFXLRBFNL-JTQLQIEISA-N 0 0 391.269 3.421 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000593102082 567384862 /nfs/dbraw/zinc/38/48/62/567384862.db2.gz WNHYCVZLQLIPGR-WBVHZDCISA-N 0 0 395.322 3.034 10 30 GGEERN C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CCOc2c(Br)cccc21 ZINC000569192544 567385316 /nfs/dbraw/zinc/38/53/16/567385316.db2.gz VMEAHUWHEFYMNW-KFWWJZLASA-N 0 0 381.270 3.306 10 30 GGEERN CC(C)[C@@H](NC(=O)Cc1ccc(Br)cc1C#N)C(=O)OC(C)(C)C ZINC000593094065 567385518 /nfs/dbraw/zinc/38/55/18/567385518.db2.gz IOQCYWKXVFEVOP-MRXNPFEDSA-N 0 0 395.297 3.346 10 30 GGEERN CCc1nn(C)c(CC)c1CNC(=O)Cc1ccc(Br)cc1C#N ZINC000593102975 567385820 /nfs/dbraw/zinc/38/58/20/567385820.db2.gz GVHJQXXJFFHUQD-UHFFFAOYSA-N 0 0 389.297 3.038 10 30 GGEERN CC(C)[C@H](NC(=O)Cc1ccc(Br)cc1C#N)C(=O)OC(C)(C)C ZINC000593090349 567385994 /nfs/dbraw/zinc/38/59/94/567385994.db2.gz IOQCYWKXVFEVOP-INIZCTEOSA-N 0 0 395.297 3.346 10 30 GGEERN CCn1c(-c2ccc(OC)c(Br)c2)nnc1N(C)C[C@H](C)C#N ZINC000549341066 567386279 /nfs/dbraw/zinc/38/62/79/567386279.db2.gz HWQFCYSMQNHWNV-LLVKDONJSA-N 0 0 378.274 3.332 10 30 GGEERN CCCCn1cc(CNC(=O)Cc2ccc(Br)cc2C#N)c(C)n1 ZINC000593116670 567386518 /nfs/dbraw/zinc/38/65/18/567386518.db2.gz UOOHYDKRCFKIJR-UHFFFAOYSA-N 0 0 389.297 3.485 10 30 GGEERN CN1Cc2ccccc2[C@@H](NC(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000593107624 567386543 /nfs/dbraw/zinc/38/65/43/567386543.db2.gz LDGAXQUVUWMWKG-SFHVURJKSA-N 0 0 384.277 3.166 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000593104893 567387421 /nfs/dbraw/zinc/38/74/21/567387421.db2.gz LNSAYNABOJYVTR-GJZGRUSLSA-N 0 0 377.282 3.138 10 30 GGEERN COc1ccc2c(c1)CCN(C(=O)Cc1ccc(Br)cc1C#N)CC2 ZINC000593135611 567387725 /nfs/dbraw/zinc/38/77/25/567387725.db2.gz DZSCZSOISHSCHK-UHFFFAOYSA-N 0 0 399.288 3.499 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N[C@]1(C#N)CCc2ccccc2C1 ZINC000593133970 567388226 /nfs/dbraw/zinc/38/82/26/567388226.db2.gz RDVDKTNDVLLPDZ-HXUWFJFHSA-N 0 0 394.272 3.431 10 30 GGEERN C[C@]1(CNC(=O)Cc2ccc(Br)cc2C#N)CCO[C@H]1C1CC1 ZINC000593133241 567388277 /nfs/dbraw/zinc/38/82/77/567388277.db2.gz SMYBJVWILLENKR-ZWKOTPCHSA-N 0 0 377.282 3.185 10 30 GGEERN O=C(NCCO[C@H]1CC1(F)F)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000661681333 567388606 /nfs/dbraw/zinc/38/86/06/567388606.db2.gz KQBBOJGAZHKNJF-YIZRAAEISA-N 0 0 384.267 3.183 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CCCC12CCOCC2 ZINC000593146691 567390143 /nfs/dbraw/zinc/39/01/43/567390143.db2.gz NIJPYIKQYUIDHH-INIZCTEOSA-N 0 0 377.282 3.329 10 30 GGEERN CCCc1nc(C)c(CNC(=O)Cc2ccc(Br)cc2C#N)o1 ZINC000593162033 567390798 /nfs/dbraw/zinc/39/07/98/567390798.db2.gz GLWLAVVRZBLHFH-UHFFFAOYSA-N 0 0 376.254 3.429 10 30 GGEERN N#CCCn1ccc(=NC(=O)NC2(c3ccccc3Br)CCC2)[nH]1 ZINC000593162882 567390951 /nfs/dbraw/zinc/39/09/51/567390951.db2.gz SJDJTDIVGPLMGY-UHFFFAOYSA-N 0 0 388.269 3.182 10 30 GGEERN C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593152548 567391847 /nfs/dbraw/zinc/39/18/47/567391847.db2.gz AODARAVLLXUVMF-NOZJJQNGSA-N 0 0 391.187 3.041 10 30 GGEERN CC(C)[C@H]1C[C@@H](CNC(=O)Cc2ccc(Br)cc2C#N)CCO1 ZINC000593167691 567392388 /nfs/dbraw/zinc/39/23/88/567392388.db2.gz DNOXZLOKJDHXFD-SUMWQHHRSA-N 0 0 379.298 3.431 10 30 GGEERN COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)Cc1ccc(Br)cc1C#N ZINC000593167024 567392497 /nfs/dbraw/zinc/39/24/97/567392497.db2.gz XUVVCOLVEYQGRG-CVEARBPZSA-N 0 0 393.281 3.101 10 30 GGEERN C=CCOCCCNC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000661792976 567392828 /nfs/dbraw/zinc/39/28/28/567392828.db2.gz KOAXFZARKAIQRJ-MRXNPFEDSA-N 0 0 383.286 3.125 10 30 GGEERN C[C@@H]1CC2(CN1C(=O)Cc1ccc(Br)cc1C#N)CCOCC2 ZINC000593180312 567393647 /nfs/dbraw/zinc/39/36/47/567393647.db2.gz GNOGTLSJUOLAQU-CYBMUJFWSA-N 0 0 377.282 3.281 10 30 GGEERN COC(=O)c1cc(NC(=O)NCC2(C#N)CCCC2)ccc1Br ZINC000593177335 567393894 /nfs/dbraw/zinc/39/38/94/567393894.db2.gz ZBTKQDKSSYSUMD-UHFFFAOYSA-N 0 0 380.242 3.441 10 30 GGEERN C=CCOCCCNC(=O)c1cn(-c2ccc(Br)cc2)nc1C ZINC000618525724 567396394 /nfs/dbraw/zinc/39/63/94/567396394.db2.gz FWBIHHRLIQHKBP-UHFFFAOYSA-N 0 0 378.270 3.266 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000569334181 567396413 /nfs/dbraw/zinc/39/64/13/567396413.db2.gz KMTBJMJQQCQNFI-BBRMVZONSA-N 0 0 379.298 3.371 10 30 GGEERN C[S@](=O)Cc1cccc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000593203017 567397049 /nfs/dbraw/zinc/39/70/49/567397049.db2.gz DLMNHVFDABEUAW-DEOSSOPVSA-N 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/nfs/dbraw/zinc/39/97/27/567399727.db2.gz RUWMISQITRADQV-AWEZNQCLSA-N 0 0 392.253 3.135 10 30 GGEERN C=CCCn1cc(C(=O)NCC2(Cc3ccc(Br)cc3)CC2)nn1 ZINC000618545806 567399805 /nfs/dbraw/zinc/39/98/05/567399805.db2.gz SKBNVQQAORYZRT-UHFFFAOYSA-N 0 0 389.297 3.369 10 30 GGEERN N#Cc1ccnc(NC(=O)c2cc(I)c(F)cc2F)c1 ZINC000435998020 567399947 /nfs/dbraw/zinc/39/99/47/567399947.db2.gz DWQCFMSOGQAWEY-UHFFFAOYSA-N 0 0 385.111 3.088 10 30 GGEERN N#Cc1ccnc(NC(=O)c2ccc(Cl)c(I)c2)c1 ZINC000436005769 567400909 /nfs/dbraw/zinc/40/09/09/567400909.db2.gz HPNGARZOYHYMDJ-UHFFFAOYSA-N 0 0 383.576 3.464 10 30 GGEERN Cc1c(Cl)cccc1N1CCCN(S(=O)(=O)CC2(C#N)CCC2)CC1 ZINC000569393683 567401037 /nfs/dbraw/zinc/40/10/37/567401037.db2.gz NBJMVNFORNGYTJ-UHFFFAOYSA-N 0 0 381.929 3.184 10 30 GGEERN N#Cc1ccnc(NC(=O)[C@H](c2ccc(Br)cc2)N2CCCC2)c1 ZINC000436002243 567401178 /nfs/dbraw/zinc/40/11/78/567401178.db2.gz PGHSESGEXUJQIT-KRWDZBQOSA-N 0 0 385.265 3.491 10 30 GGEERN Cc1c(C(=O)Nc2cc(C#N)ccn2)cnn1-c1cccc(Br)c1 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CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593505548 567419607 /nfs/dbraw/zinc/41/96/07/567419607.db2.gz JSZXIUYTVBFYFZ-HNNXBMFYSA-N 0 0 393.281 3.196 10 30 GGEERN CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593505550 567419632 /nfs/dbraw/zinc/41/96/32/567419632.db2.gz JSZXIUYTVBFYFZ-OAHLLOKOSA-N 0 0 393.281 3.196 10 30 GGEERN C[C@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)C[C@@H](C(F)(F)F)O1 ZINC000593497219 567419662 /nfs/dbraw/zinc/41/96/62/567419662.db2.gz SZAQIQFNPFBXFD-ZANVPECISA-N 0 0 391.187 3.041 10 30 GGEERN COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)c2ccsc2C#N)c1 ZINC000593526946 567420569 /nfs/dbraw/zinc/42/05/69/567420569.db2.gz ZXMBXXYEHBGECH-AWEZNQCLSA-N 0 0 378.475 3.163 10 30 GGEERN CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(C#N)cc1C(=O)OC ZINC000593525511 567420619 /nfs/dbraw/zinc/42/06/19/567420619.db2.gz SOANXDCDRHTCMN-UHFFFAOYSA-N 0 0 398.893 3.271 10 30 GGEERN COc1cc([C@H](C)NS(=O)(=O)c2ccsc2C#N)ccc1OC(C)C ZINC000593530449 567420972 /nfs/dbraw/zinc/42/09/72/567420972.db2.gz 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567421942 /nfs/dbraw/zinc/42/19/42/567421942.db2.gz OHNAIBINQYVBFU-CXAGYDPISA-N 0 0 379.298 3.311 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000593539634 567421953 /nfs/dbraw/zinc/42/19/53/567421953.db2.gz ZDAWWEASIHFINJ-HNNXBMFYSA-N 0 0 380.466 3.129 10 30 GGEERN CN(C[C@H]1CCCO[C@H]1c1ccccc1)S(=O)(=O)c1ccsc1C#N ZINC000593539249 567422007 /nfs/dbraw/zinc/42/20/07/567422007.db2.gz VLRCCGRXTQVANM-QAPCUYQASA-N 0 0 376.503 3.408 10 30 GGEERN CCCN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccsc1C#N ZINC000593544188 567422081 /nfs/dbraw/zinc/42/20/81/567422081.db2.gz GHVDHYGBJDSWPX-UHFFFAOYSA-N 0 0 397.909 3.313 10 30 GGEERN CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)S(=O)(=O)c1ccsc1C#N ZINC000593539246 567422203 /nfs/dbraw/zinc/42/22/03/567422203.db2.gz VLRCCGRXTQVANM-MAUKXSAKSA-N 0 0 376.503 3.408 10 30 GGEERN N#Cc1sccc1S(=O)(=O)NCC1(c2ccccc2Cl)CCOCC1 ZINC000593543688 567422230 /nfs/dbraw/zinc/42/22/30/567422230.db2.gz OOFONXCXJJSWMV-UHFFFAOYSA-N 0 0 396.921 3.300 10 30 GGEERN CC(C)CC(=O)Nc1cccc(CNS(=O)(=O)c2ccsc2C#N)c1 ZINC000593538632 567422438 /nfs/dbraw/zinc/42/24/38/567422438.db2.gz UFCVUHPJOBZVGN-UHFFFAOYSA-N 0 0 377.491 3.083 10 30 GGEERN Cc1ccc(Cl)cc1N1CC[C@@H](CNS(=O)(=O)c2ccsc2C#N)C1 ZINC000593540182 567422573 /nfs/dbraw/zinc/42/25/73/567422573.db2.gz MZQLIUJEQWVWAE-ZDUSSCGKSA-N 0 0 395.937 3.386 10 30 GGEERN COCCSc1ccc([C@@H](C)NS(=O)(=O)c2ccsc2C#N)cc1 ZINC000593544014 567422668 /nfs/dbraw/zinc/42/26/68/567422668.db2.gz SUSDGTJFDFPWOL-GFCCVEGCSA-N 0 0 382.532 3.398 10 30 GGEERN N#Cc1sccc1S(=O)(=O)NCc1ccc(OC2CCCCC2)nc1 ZINC000593538833 567422727 /nfs/dbraw/zinc/42/27/27/567422727.db2.gz QLJGUAZUZBLCFH-UHFFFAOYSA-N 0 0 377.491 3.205 10 30 GGEERN CCCN([C@H](C)C(=O)Nc1ccccc1)S(=O)(=O)c1ccsc1C#N ZINC000593537978 567422743 /nfs/dbraw/zinc/42/27/43/567422743.db2.gz JTCGMLVGGADTBU-CYBMUJFWSA-N 0 0 377.491 3.048 10 30 GGEERN Cc1ccc([C@@H](CNS(=O)(=O)c2ccsc2C#N)N2CCCC2)cc1 ZINC000593539579 567422780 /nfs/dbraw/zinc/42/27/80/567422780.db2.gz 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ZINC000593579567 567425194 /nfs/dbraw/zinc/42/51/94/567425194.db2.gz ALFXAYKUZRAANO-FZMZJTMJSA-N 0 0 382.894 3.424 10 30 GGEERN CC(C)(C#N)c1ccc(S(=O)(=O)N2CCO[C@H](c3ccsc3)C2)cc1 ZINC000593564158 567425317 /nfs/dbraw/zinc/42/53/17/567425317.db2.gz XSGJXSCCTXVQGP-KRWDZBQOSA-N 0 0 376.503 3.311 10 30 GGEERN CN([C@H]1CCO[C@H](c2ccc(F)cc2)C1)S(=O)(=O)c1ccsc1C#N ZINC000593575561 567425328 /nfs/dbraw/zinc/42/53/28/567425328.db2.gz HREORUOBDGUENA-GJZGRUSLSA-N 0 0 380.466 3.300 10 30 GGEERN N#Cc1sccc1S(=O)(=O)NCC1(CCOCc2ccccc2)CC1 ZINC000593579205 567425759 /nfs/dbraw/zinc/42/57/59/567425759.db2.gz VJILGCMTJIZHCP-UHFFFAOYSA-N 0 0 376.503 3.285 10 30 GGEERN C[C@@H](c1ccccc1)[C@@H](CO)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593576183 567425859 /nfs/dbraw/zinc/42/58/59/567425859.db2.gz RLZHSSXXDXFANO-SCLBCKFNSA-N 0 0 387.277 3.144 10 30 GGEERN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1S(=O)(=O)c1ccsc1C#N ZINC000593579566 567425950 /nfs/dbraw/zinc/42/59/50/567425950.db2.gz ALFXAYKUZRAANO-BXUZGUMPSA-N 0 0 382.894 3.424 10 30 GGEERN N#Cc1cc(F)ccc1CS(=O)(=O)N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000528461605 567426233 /nfs/dbraw/zinc/42/62/33/567426233.db2.gz ILNIZFDIQLXQMP-RCCFBDPRSA-N 0 0 376.840 3.108 10 30 GGEERN N#Cc1cc(F)ccc1CS(=O)(=O)N1CCc2ccc(Br)cc21 ZINC000436476139 567426582 /nfs/dbraw/zinc/42/65/82/567426582.db2.gz INVSYGCIZZMPPO-UHFFFAOYSA-N 0 0 395.253 3.352 10 30 GGEERN CC(C)(C)[C@@H]1CCN(C(=O)Cc2ccc(Br)cc2C#N)C[C@@H]1O ZINC000593582941 567427130 /nfs/dbraw/zinc/42/71/30/567427130.db2.gz PYJKIEQKKKSJNG-CVEARBPZSA-N 0 0 379.298 3.119 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCCCC[C@H]1c1ncon1 ZINC000593596923 567427273 /nfs/dbraw/zinc/42/72/73/567427273.db2.gz FPNMDYJMJGHKIP-HNNXBMFYSA-N 0 0 389.253 3.390 10 30 GGEERN N#Cc1sccc1S(=O)(=O)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000593587575 567427365 /nfs/dbraw/zinc/42/73/65/567427365.db2.gz WUZPIUZNODHUND-UHFFFAOYSA-N 0 0 380.466 3.129 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)N[C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c(F)c1 ZINC000528467381 567427505 /nfs/dbraw/zinc/42/75/05/567427505.db2.gz VOUPYGKUOQKFJE-CGTJXYLNSA-N 0 0 376.840 3.108 10 30 GGEERN Cc1c(S(=O)(=O)NCC2(C#N)CCCC2)cnn1-c1ccc(Cl)cc1 ZINC000593619891 567427906 /nfs/dbraw/zinc/42/79/06/567427906.db2.gz IBBWILRNQILEON-UHFFFAOYSA-N 0 0 378.885 3.196 10 30 GGEERN COc1cc(C)c(Br)cc1S(=O)(=O)NCC1(C#N)CCCC1 ZINC000593619588 567427939 /nfs/dbraw/zinc/42/79/39/567427939.db2.gz CTTNTUQFJGKHQH-UHFFFAOYSA-N 0 0 387.299 3.128 10 30 GGEERN COCCN(Cc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccsc1C#N ZINC000593605579 567428027 /nfs/dbraw/zinc/42/80/27/567428027.db2.gz SYRRPDWYONVIHM-UHFFFAOYSA-N 0 0 388.873 3.250 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCC(F)(c3ccccn3)CC2)cc1Cl ZINC000593616160 567428042 /nfs/dbraw/zinc/42/80/42/567428042.db2.gz ZZMJIPCLQVWLCC-UHFFFAOYSA-N 0 0 379.844 3.256 10 30 GGEERN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000593620907 567428296 /nfs/dbraw/zinc/42/82/96/567428296.db2.gz GHEGWNCPKKCFLF-BXUZGUMPSA-N 0 0 384.885 3.095 10 30 GGEERN CCCCN([C@@H]1CCc2ncsc2C1)S(=O)(=O)c1ccsc1C#N ZINC000593614518 567428396 /nfs/dbraw/zinc/42/83/96/567428396.db2.gz ZGRGZTINAWQOFX-GFCCVEGCSA-N 0 0 381.548 3.425 10 30 GGEERN CC(C)(C)OC(=O)CC[C@@H]1CCCN(S(=O)(=O)c2ccsc2C#N)C1 ZINC000593606728 567428483 /nfs/dbraw/zinc/42/84/83/567428483.db2.gz ABGNDXBDLHCCRN-ZDUSSCGKSA-N 0 0 384.523 3.142 10 30 GGEERN N#CC1(CS(=O)(=O)NC2(c3ccccc3Br)CCC2)CCC1 ZINC000593616759 567428675 /nfs/dbraw/zinc/42/86/75/567428675.db2.gz PJPIYEZVIQVSEU-UHFFFAOYSA-N 0 0 383.311 3.442 10 30 GGEERN N#CC1(CNS(=O)(=O)Cc2ccc(Br)c(F)c2)CCCC1 ZINC000593624349 567429350 /nfs/dbraw/zinc/42/93/50/567429350.db2.gz SSHNWOJBYVYOQD-UHFFFAOYSA-N 0 0 375.263 3.092 10 30 GGEERN N#Cc1cc(S(=O)(=O)N2CCC3(CC2)C(F)(F)C3(F)F)ccc1Cl ZINC000593628184 567429907 /nfs/dbraw/zinc/42/99/07/567429907.db2.gz YRODBZDVUPDWGD-UHFFFAOYSA-N 0 0 382.766 3.267 10 30 GGEERN N#CC1(CNS(=O)(=O)c2c(Cl)cccc2Br)CCCC1 ZINC000593623539 567430263 /nfs/dbraw/zinc/43/02/63/567430263.db2.gz NQMRAJKIHKZSJZ-UHFFFAOYSA-N 0 0 377.691 3.465 10 30 GGEERN N#Cc1ccc(S(=O)(=O)N2CCC3(CC2)C(F)(F)C3(F)F)c(Cl)c1 ZINC000593627169 567430306 /nfs/dbraw/zinc/43/03/06/567430306.db2.gz UNZNHDSFIBBENX-UHFFFAOYSA-N 0 0 382.766 3.267 10 30 GGEERN N#CCC1(CS(=O)(=O)N2CC3(CC3)c3ccc(Br)cc32)CC1 ZINC000528496153 567430540 /nfs/dbraw/zinc/43/05/40/567430540.db2.gz AOZWWGFONVLQJH-UHFFFAOYSA-N 0 0 381.295 3.324 10 30 GGEERN Cc1ncc(S(=O)(=O)N2CCc3ccc(Cl)cc3[C@H](C)C2)cc1C#N ZINC000593638846 567431523 /nfs/dbraw/zinc/43/15/23/567431523.db2.gz NRQQOPOCXYLUDN-GFCCVEGCSA-N 0 0 375.881 3.266 10 30 GGEERN CCN(CCC#N)S(=O)(=O)N(C)[C@H]1CCCc2c(OC)ccc(Cl)c21 ZINC000593660272 567432886 /nfs/dbraw/zinc/43/28/86/567432886.db2.gz HAIIYUAXXFJJDI-HNNXBMFYSA-N 0 0 385.917 3.138 10 30 GGEERN COc1ccc(Cl)c2c1CCC[C@H]2N(C)S(=O)(=O)N(C)[C@H](C)CC#N ZINC000593660185 567433133 /nfs/dbraw/zinc/43/31/33/567433133.db2.gz COPBQJZRLDAGEA-IUODEOHRSA-N 0 0 385.917 3.137 10 30 GGEERN N#CC1(CNC(=O)C(=O)Nc2ccc(Cl)cc2Br)CCCC1 ZINC000593671249 567434358 /nfs/dbraw/zinc/43/43/58/567434358.db2.gz HFBZFVPKWYGAIE-UHFFFAOYSA-N 0 0 384.661 3.241 10 30 GGEERN CC(C)OC(=O)CC[C@H](C)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593673392 567434826 /nfs/dbraw/zinc/43/48/26/567434826.db2.gz HIZKIFXMDYAFMQ-LBPRGKRZSA-N 0 0 381.270 3.100 10 30 GGEERN Cc1cc(NC(=O)C(=O)NCC2(C#N)CCCC2)cc(F)c1Br ZINC000593675422 567434883 /nfs/dbraw/zinc/43/48/83/567434883.db2.gz TXLSKXLJLUBGEK-UHFFFAOYSA-N 0 0 382.233 3.035 10 30 GGEERN CCN(C[C@H](C)C#N)S(=O)(=O)N1CC=C(c2ccc(Cl)cc2C)CC1 ZINC000528537361 567435327 /nfs/dbraw/zinc/43/53/27/567435327.db2.gz CBTOSMIDPHKJNB-CQSZACIVSA-N 0 0 381.929 3.464 10 30 GGEERN C=CCCCCCNC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000569822970 567435656 /nfs/dbraw/zinc/43/56/56/567435656.db2.gz ZNAUMLAJHKGWST-UHFFFAOYSA-N 0 0 384.567 3.328 10 30 GGEERN C[C@H](O)C[C@H]1CCCCCN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593699223 567436325 /nfs/dbraw/zinc/43/63/25/567436325.db2.gz BXLSTXFBDKZDSH-SUMWQHHRSA-N 0 0 379.298 3.405 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)NC[C@]1(CO)C[C@H]1c1ccccc1 ZINC000593720125 567436380 /nfs/dbraw/zinc/43/63/80/567436380.db2.gz PRZFNXHXRTUFOA-ICSRJNTNSA-N 0 0 399.288 3.146 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N[C@H](CO)CC1CCCCC1 ZINC000593743746 567437251 /nfs/dbraw/zinc/43/72/51/567437251.db2.gz CMAAVCGPBZNMJS-KRWDZBQOSA-N 0 0 379.298 3.311 10 30 GGEERN C=CCn1c(SCCn2nc(C)oc2=O)nnc1-c1cccc(Cl)c1 ZINC000641465635 567437588 /nfs/dbraw/zinc/43/75/88/567437588.db2.gz HITMOWGDHUYALE-UHFFFAOYSA-N 0 0 377.857 3.035 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000593734365 567437777 /nfs/dbraw/zinc/43/77/77/567437777.db2.gz GBJNJDGEJLMZFC-KURKYZTESA-N 0 0 391.309 3.405 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N1CC2(CCOCC2)[C@H]1C1CC1 ZINC000593731921 567437832 /nfs/dbraw/zinc/43/78/32/567437832.db2.gz HEAVRFVAWIRYKV-GOSISDBHSA-N 0 0 389.293 3.281 10 30 GGEERN C=CCC[C@H](NC(=O)[C@@H]1CCOc2ccc(Br)cc21)C(=O)OCC ZINC000593738842 567437846 /nfs/dbraw/zinc/43/78/46/567437846.db2.gz MAZQMSDEQIEXJT-HIFRSBDPSA-N 0 0 396.281 3.329 10 30 GGEERN C=CCC[C@H](NC(=O)[C@H]1CCOc2ccc(Br)cc21)C(=O)OCC ZINC000593738844 567437865 /nfs/dbraw/zinc/43/78/65/567437865.db2.gz MAZQMSDEQIEXJT-ZFWWWQNUSA-N 0 0 396.281 3.329 10 30 GGEERN N#Cc1cc(F)ccc1CS(=O)(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000528557682 567438721 /nfs/dbraw/zinc/43/87/21/567438721.db2.gz PXQKSRAYUCXMNE-BPQIPLTHSA-N 0 0 376.840 3.108 10 30 GGEERN N#Cc1ccc(CS(=O)(=O)NCCSCc2ccccc2F)c(F)c1 ZINC000478161228 567439601 /nfs/dbraw/zinc/43/96/01/567439601.db2.gz BRCZGEAWSUHIMT-UHFFFAOYSA-N 0 0 382.457 3.189 10 30 GGEERN N#CC1(CNC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CCCC1 ZINC000593779307 567440286 /nfs/dbraw/zinc/44/02/86/567440286.db2.gz FXDIKOUWUAOODC-ZDUSSCGKSA-N 0 0 390.281 3.002 10 30 GGEERN N#CC1(CNC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CCCC1 ZINC000593782917 567440751 /nfs/dbraw/zinc/44/07/51/567440751.db2.gz WPIMDGWURKGVFA-OAHLLOKOSA-N 0 0 390.281 3.002 10 30 GGEERN N#CC1(CNC(=O)CSc2nncn2-c2cccc(Cl)c2)CCCC1 ZINC000593779379 567440757 /nfs/dbraw/zinc/44/07/57/567440757.db2.gz IQMWYXQTQOYAKN-UHFFFAOYSA-N 0 0 375.885 3.213 10 30 GGEERN N#CC1(CNC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CCCC1 ZINC000593779146 567440967 /nfs/dbraw/zinc/44/09/67/567440967.db2.gz FXDIKOUWUAOODC-CYBMUJFWSA-N 0 0 390.281 3.002 10 30 GGEERN N#Cc1cc(Br)ccc1CN1CC2(CCOCC2)CC[C@H]1CO ZINC000528637699 567444944 /nfs/dbraw/zinc/44/49/44/567444944.db2.gz FRIGPWRVNFOSDQ-KRWDZBQOSA-N 0 0 379.298 3.074 10 30 GGEERN N#Cc1cc(NC(=O)C(=O)NC/C=C/c2ccccc2)ccc1Br ZINC000550418327 567445700 /nfs/dbraw/zinc/44/57/00/567445700.db2.gz HYDJUHGWMWUVMN-QPJJXVBHSA-N 0 0 384.233 3.089 10 30 GGEERN C=CCCn1cc(C[S@@](=O)Cc2nnc(-c3ccccc3Cl)o2)nn1 ZINC000593938970 567447441 /nfs/dbraw/zinc/44/74/41/567447441.db2.gz SCSKKTCXQZWUEM-RUZDIDTESA-N 0 0 377.857 3.007 10 30 GGEERN C=CCCn1cc(C[S@@](=O)Cc2c(F)ccc(Br)c2F)nn1 ZINC000593937367 567447839 /nfs/dbraw/zinc/44/78/39/567447839.db2.gz OWEODTMIJBFATE-JOCHJYFZSA-N 0 0 390.253 3.344 10 30 GGEERN C=CCCn1cc(C[S@](=O)[C@H](C)C(=O)Nc2cc(Cl)ccc2C)nn1 ZINC000593937980 567447863 /nfs/dbraw/zinc/44/78/63/567447863.db2.gz FOZMNQVVYDEEMU-SHZVTRLKSA-N 0 0 380.901 3.092 10 30 GGEERN C=CCCn1cc(C[S@@](=O)[C@H](C)C(=O)Nc2cccc(Cl)c2C)nn1 ZINC000593939255 567449006 /nfs/dbraw/zinc/44/90/06/567449006.db2.gz VYQURTSEVSHHOW-YMXBGEKHSA-N 0 0 380.901 3.092 10 30 GGEERN Cn1nnnc1Sc1ccc(Br)cc1NC(=O)CCCCC#N ZINC000593972165 567451083 /nfs/dbraw/zinc/45/10/83/567451083.db2.gz QFOOYOBKEXAZJP-UHFFFAOYSA-N 0 0 395.286 3.146 10 30 GGEERN CCOc1cc(C#N)cc(Br)c1OCC(=O)NC(C)(C)C(F)F ZINC000619422139 567451527 /nfs/dbraw/zinc/45/15/27/567451527.db2.gz ZFNAWKLBBMRIAV-UHFFFAOYSA-N 0 0 391.212 3.258 10 30 GGEERN CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)CCCCC#N ZINC000594019385 567452759 /nfs/dbraw/zinc/45/27/59/567452759.db2.gz JCQJYZALUGEDQP-UHFFFAOYSA-N 0 0 386.315 3.059 10 30 GGEERN C[C@H](NC(=O)NCc1ccc(C#N)cc1F)c1ccc(Br)cn1 ZINC000619426950 567452962 /nfs/dbraw/zinc/45/29/62/567452962.db2.gz CXLZJDRSHIHWRD-JTQLQIEISA-N 0 0 377.217 3.415 10 30 GGEERN N#Cc1ccsc1NC(=O)CN1CCOc2cccc(Br)c2C1 ZINC000594029594 567453675 /nfs/dbraw/zinc/45/36/75/567453675.db2.gz GNCVSVUPTADNBF-UHFFFAOYSA-N 0 0 392.278 3.215 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@H]1C1CC1 ZINC000662660311 567455202 /nfs/dbraw/zinc/45/52/02/567455202.db2.gz IACKXDQBTIWLTP-HNNXBMFYSA-N 0 0 393.281 3.353 10 30 GGEERN N#Cc1ccc(OCC(=O)N[C@H](C2CC2)[C@H]2CCCCO2)cc1Br ZINC000594068614 567456776 /nfs/dbraw/zinc/45/67/76/567456776.db2.gz KUXJRKMFJNCFFC-SJLPKXTDSA-N 0 0 393.281 3.163 10 30 GGEERN N#Cc1cc(Br)ccc1CC(=O)N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC000594071315 567456986 /nfs/dbraw/zinc/45/69/86/567456986.db2.gz YVRCEEMTKNZZII-FUHWJXTLSA-N 0 0 377.282 3.327 10 30 GGEERN N#Cc1ccc(CC(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)cn1 ZINC000528825731 567459682 /nfs/dbraw/zinc/45/96/82/567459682.db2.gz UGJKOAZQTFUWMG-HNNXBMFYSA-N 0 0 376.243 3.482 10 30 GGEERN Cn1cc(C(=O)Nc2ccc(C#N)c(Br)c2)c2ccccc2c1=O ZINC000570124501 567459805 /nfs/dbraw/zinc/45/98/05/567459805.db2.gz KHJXKSWQHUXWPZ-UHFFFAOYSA-N 0 0 382.217 3.425 10 30 GGEERN Cc1ccc2c(ncc(C#N)c2NCCC2CS(=O)(=O)C2)c1Br ZINC000619497790 567460723 /nfs/dbraw/zinc/46/07/23/567460723.db2.gz MPGFXVQWKFVECR-UHFFFAOYSA-N 0 0 394.294 3.024 10 30 GGEERN Cn1cc(C#N)cc1C(=O)NCc1ccc(I)cc1Cl ZINC000478500011 567462193 /nfs/dbraw/zinc/46/21/93/567462193.db2.gz HGJNPOUZMWLJLO-UHFFFAOYSA-N 0 0 399.619 3.085 10 30 GGEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1sccc1Br ZINC000502999449 567463987 /nfs/dbraw/zinc/46/39/87/567463987.db2.gz CFASBEUMTZSYSP-OAHLLOKOSA-N 0 0 387.299 3.388 10 30 GGEERN CN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000550826973 567464767 /nfs/dbraw/zinc/46/47/67/567464767.db2.gz JGWBZEFDRNMXJV-UHFFFAOYSA-N 0 0 383.242 3.281 10 30 GGEERN Cc1cc(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)ncc1C#N ZINC000457465795 567467794 /nfs/dbraw/zinc/46/77/94/567467794.db2.gz ATCMUAYYSQDZTD-AWEZNQCLSA-N 0 0 399.292 3.281 10 30 GGEERN Cc1cc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)ncc1C#N ZINC000457487531 567469031 /nfs/dbraw/zinc/46/90/31/567469031.db2.gz YTBRGSAGNRXWBX-QGZVFWFLSA-N 0 0 386.249 3.238 10 30 GGEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCc1ccc(Br)cc1 ZINC000503130757 567469069 /nfs/dbraw/zinc/46/90/69/567469069.db2.gz JFAHTMXOLOOZFW-GOSISDBHSA-N 0 0 395.297 3.369 10 30 GGEERN CN([C@](C)(C#N)C1CC1)S(=O)(=O)c1cccc(Br)c1Cl ZINC000570612643 567499035 /nfs/dbraw/zinc/49/90/35/567499035.db2.gz JYXWEIGRPUWNGE-CYBMUJFWSA-N 0 0 377.691 3.415 10 30 GGEERN C=C(C)CNC(=O)Cc1cc(Br)cc(I)c1 ZINC000594344492 567469855 /nfs/dbraw/zinc/46/98/55/567469855.db2.gz DUJZKGQTHNYXPC-UHFFFAOYSA-N 0 0 394.050 3.289 10 30 GGEERN C[C@H]1CN(c2c(C#N)cnc3c(Br)cccc32)C[C@H](C)S1=O ZINC000619651608 567471010 /nfs/dbraw/zinc/47/10/10/567471010.db2.gz YAEXUSCXZGKJFE-QWRGUYRKSA-N 0 0 378.295 3.215 10 30 GGEERN CC(C)[C@H](NC(=O)Cc1ccc(Br)cc1C#N)C1(CO)CCC1 ZINC000594363751 567471217 /nfs/dbraw/zinc/47/12/17/567471217.db2.gz JZUYKASRSSNHEF-KRWDZBQOSA-N 0 0 379.298 3.167 10 30 GGEERN N#Cc1ccc(O[C@H]2CCN(Cc3nc4cc(Br)ccc4[nH]3)C2)nc1 ZINC000570264203 567471270 /nfs/dbraw/zinc/47/12/70/567471270.db2.gz MYJUWEQEAAJPQE-AWEZNQCLSA-N 0 0 398.264 3.245 10 30 GGEERN C[C@H](C(=O)Nc1cc(Br)cc(C(C)(C)C)c1O)n1cnc(C#N)n1 ZINC000594380814 567471575 /nfs/dbraw/zinc/47/15/75/567471575.db2.gz AGHHFBPSQXXVAY-SECBINFHSA-N 0 0 392.257 3.115 10 30 GGEERN CC(C)[C@@H](NC(=O)Cc1ccc(Br)cc1C#N)C1(CO)CC=CC1 ZINC000594377836 567471619 /nfs/dbraw/zinc/47/16/19/567471619.db2.gz UIOPFQBMUVOTTF-GOSISDBHSA-N 0 0 391.309 3.333 10 30 GGEERN N#CC1CCC(CNS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000619681787 567472873 /nfs/dbraw/zinc/47/28/73/567472873.db2.gz WFVVOPCHRHEGSY-UHFFFAOYSA-N 0 0 376.400 3.335 10 30 GGEERN N#Cc1ccc(CC(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)cn1 ZINC000528978627 567473767 /nfs/dbraw/zinc/47/37/67/567473767.db2.gz OMDOBZLOBNMTJC-AWEZNQCLSA-N 0 0 375.259 3.198 10 30 GGEERN CCc1csc(CC2CCN(S(=O)(=O)c3ccsc3C#N)CC2)n1 ZINC000594475181 567478965 /nfs/dbraw/zinc/47/89/65/567478965.db2.gz TWAZQVWVWNDGRD-UHFFFAOYSA-N 0 0 381.548 3.282 10 30 GGEERN N#Cc1ccc(CNC(=O)N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000619769147 567480331 /nfs/dbraw/zinc/48/03/31/567480331.db2.gz IYWULKLTBSVEMC-TZMCWYRMSA-N 0 0 375.778 3.056 10 30 GGEERN N#Cc1ccc(CNC(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000619769145 567480679 /nfs/dbraw/zinc/48/06/79/567480679.db2.gz IYWULKLTBSVEMC-JSGCOSHPSA-N 0 0 375.778 3.056 10 30 GGEERN N#Cc1cc(Br)cc(S(=O)(=O)NC[C@@H]2CCC3(CCCC3)O2)c1 ZINC000594490743 567482103 /nfs/dbraw/zinc/48/21/03/567482103.db2.gz IDVHZJZMZLVUKD-AWEZNQCLSA-N 0 0 399.310 3.091 10 30 GGEERN N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC3(CCCC3)O2)cc1Br ZINC000594489805 567482399 /nfs/dbraw/zinc/48/23/99/567482399.db2.gz ZJKLLRBMIGUMBU-ZDUSSCGKSA-N 0 0 399.310 3.091 10 30 GGEERN N#C[C@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)c1ccc(Cl)cc1 ZINC000619864018 567484640 /nfs/dbraw/zinc/48/46/40/567484640.db2.gz ZDRVNLNLGOPERO-MFKMUULPSA-N 0 0 383.882 3.057 10 30 GGEERN C=CCCn1cc(CSCC(=O)Nc2ccc(Br)cc2)nn1 ZINC000594563698 567485761 /nfs/dbraw/zinc/48/57/61/567485761.db2.gz DZBPFUMDGOIATD-UHFFFAOYSA-N 0 0 381.299 3.489 10 30 GGEERN Cc1cc(C#N)c(=O)n(CCCOc2cccc(I)c2)c1 ZINC000570450688 567486224 /nfs/dbraw/zinc/48/62/24/567486224.db2.gz QECTUUQYDNDUBR-UHFFFAOYSA-N 0 0 394.212 3.102 10 30 GGEERN Cc1cc(C(=O)N(C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)ncc1C#N ZINC000457734118 567486961 /nfs/dbraw/zinc/48/69/61/567486961.db2.gz MWJUCGQBEWWTSE-SJORKVTESA-N 0 0 376.243 3.299 10 30 GGEERN COCCN(Cc1ccc(Br)s1)C(=O)c1cc(C)c(C#N)cn1 ZINC000457750792 567488281 /nfs/dbraw/zinc/48/82/81/567488281.db2.gz HFCWSLPHBYWNRO-UHFFFAOYSA-N 0 0 394.294 3.375 10 30 GGEERN N#Cc1cnc2c(Br)cccc2c1NCc1nc([C@@H]2CCCO2)n[nH]1 ZINC000594588975 567488418 /nfs/dbraw/zinc/48/84/18/567488418.db2.gz GPESLKVQFZNRBH-ZDUSSCGKSA-N 0 0 399.252 3.451 10 30 GGEERN CCc1ccc([C@H](C#N)N(C)S(=O)(=O)c2cnc(OC)c(Cl)c2)cc1 ZINC000594582655 567488747 /nfs/dbraw/zinc/48/87/47/567488747.db2.gz RNSPZIINFCLNKS-INIZCTEOSA-N 0 0 379.869 3.191 10 30 GGEERN Cc1cc(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)ncc1C#N ZINC000457759029 567488879 /nfs/dbraw/zinc/48/88/79/567488879.db2.gz JVIGTOMEQNSALJ-HNNXBMFYSA-N 0 0 385.265 3.033 10 30 GGEERN N#Cc1ccc(CC(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)cn1 ZINC000529138266 567489071 /nfs/dbraw/zinc/48/90/71/567489071.db2.gz LBBLVHLITBVULY-HNNXBMFYSA-N 0 0 375.259 3.198 10 30 GGEERN Cc1cc(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)ncc1C#N ZINC000457759030 567489469 /nfs/dbraw/zinc/48/94/69/567489469.db2.gz JVIGTOMEQNSALJ-OAHLLOKOSA-N 0 0 385.265 3.033 10 30 GGEERN CC(C)O[C@]1(COc2cc(C#N)ccc2I)CCOC1 ZINC000594896366 567523657 /nfs/dbraw/zinc/52/36/57/567523657.db2.gz UQFWNVIPAIUHOJ-OAHLLOKOSA-N 0 0 387.217 3.126 10 30 GGEERN C=C(C)CN(CC)C(=O)C[S@@](=O)Cc1ncc(Br)cc1Cl ZINC000594675003 567494623 /nfs/dbraw/zinc/49/46/23/567494623.db2.gz IPIAEZJNTBJCSY-NRFANRHFSA-N 0 0 393.734 3.171 10 30 GGEERN C=C(C)CN(CC)C(=O)C[S@](=O)Cc1ncc(Br)cc1Cl ZINC000594675004 567495099 /nfs/dbraw/zinc/49/50/99/567495099.db2.gz IPIAEZJNTBJCSY-OAQYLSRUSA-N 0 0 393.734 3.171 10 30 GGEERN C[C@@H](C(=O)NC1(c2ccc(Br)cc2)CCCC1)n1cnc(C#N)n1 ZINC000503582040 567495658 /nfs/dbraw/zinc/49/56/58/567495658.db2.gz UYNZKVFTHMDVQO-LBPRGKRZSA-N 0 0 388.269 3.059 10 30 GGEERN COCC[C@](C)(C#N)NC(=O)CSCc1ccc(Br)cc1F ZINC000570599977 567497622 /nfs/dbraw/zinc/49/76/22/567497622.db2.gz HFWVXMSDEKODGC-OAHLLOKOSA-N 0 0 389.290 3.256 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(C)ccc1I ZINC000437499346 567498242 /nfs/dbraw/zinc/49/82/42/567498242.db2.gz JUNLDFMCGWPBEO-SWLSCSKDSA-N 0 0 385.245 3.311 10 30 GGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(C)ccc1I ZINC000437499348 567498260 /nfs/dbraw/zinc/49/82/60/567498260.db2.gz JUNLDFMCGWPBEO-WFASDCNBSA-N 0 0 385.245 3.311 10 30 GGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000437510764 567498659 /nfs/dbraw/zinc/49/86/59/567498659.db2.gz DUVQBYCZFIPGQO-GTNSWQLSSA-N 0 0 391.265 3.414 10 30 GGEERN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000437510762 567498942 /nfs/dbraw/zinc/49/89/42/567498942.db2.gz DUVQBYCZFIPGQO-APPDUMDISA-N 0 0 391.265 3.414 10 30 GGEERN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000437510765 567499112 /nfs/dbraw/zinc/49/91/12/567499112.db2.gz DUVQBYCZFIPGQO-PIGZYNQJSA-N 0 0 391.265 3.414 10 30 GGEERN COCCN(Cc1ccc(Br)s1)C(=O)c1ccc(C#N)cn1 ZINC000570623823 567501032 /nfs/dbraw/zinc/50/10/32/567501032.db2.gz BCWCHIDXXHTUGH-UHFFFAOYSA-N 0 0 380.267 3.066 10 30 GGEERN COc1ncc(Br)cc1Cc1noc(-c2ncc(C#N)cc2C)n1 ZINC000551383401 567501780 /nfs/dbraw/zinc/50/17/80/567501780.db2.gz KMQXTSIBPGVRSW-UHFFFAOYSA-N 0 0 386.209 3.069 10 30 GGEERN N#Cc1cc(Cl)ccc1CNc1cccc(CN2CCCS2(=O)=O)c1 ZINC000594716503 567502263 /nfs/dbraw/zinc/50/22/63/567502263.db2.gz QZZFMWOMOPXSPQ-UHFFFAOYSA-N 0 0 375.881 3.359 10 30 GGEERN C[C@H]([C@@H]1Cc2ccccc2O1)N(C)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503734256 567503034 /nfs/dbraw/zinc/50/30/34/567503034.db2.gz XRVZVZARQZJKSK-PXAZEXFGSA-N 0 0 376.865 3.224 10 30 GGEERN CSC[C@@](C)(C#N)NS(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000594727553 567505268 /nfs/dbraw/zinc/50/52/68/567505268.db2.gz PZJVCQOEVGLBPQ-LLVKDONJSA-N 0 0 383.720 3.026 10 30 GGEERN C[C@H](C#N)N(C1CC1)S(=O)(=O)c1ccc2c(Br)cn(C)c2c1 ZINC000594726485 567505364 /nfs/dbraw/zinc/50/53/64/567505364.db2.gz GXRAEMQMKGRJRS-SNVBAGLBSA-N 0 0 382.283 3.006 10 30 GGEERN CC(C)N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ncccc1Br ZINC000594751833 567505979 /nfs/dbraw/zinc/50/59/79/567505979.db2.gz DLXNDAQBTDDIJP-UHFFFAOYSA-N 0 0 394.294 3.315 10 30 GGEERN CC1(C#N)CCN(S(=O)(=O)c2cc(Br)sc2Cl)CC1 ZINC000503808249 567507083 /nfs/dbraw/zinc/50/70/83/567507083.db2.gz CNEZHZXTOZIISF-UHFFFAOYSA-N 0 0 383.720 3.478 10 30 GGEERN COC(=O)c1cc(Br)ccc1NC(=O)c1ccc(F)c(C#N)c1 ZINC000551444935 567507314 /nfs/dbraw/zinc/50/73/14/567507314.db2.gz AFKRFCQVNLIMKM-UHFFFAOYSA-N 0 0 377.169 3.499 10 30 GGEERN C[C@@H](C#N)CN(C1CC1)S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000594766805 567508992 /nfs/dbraw/zinc/50/89/92/567508992.db2.gz XXILDULJUXWVLZ-VIFPVBQESA-N 0 0 377.691 3.415 10 30 GGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000620316995 567510893 /nfs/dbraw/zinc/51/08/93/567510893.db2.gz BGMOTRMLZSQABW-OKILXGFUSA-N 0 0 378.266 3.472 10 30 GGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000620312908 567511218 /nfs/dbraw/zinc/51/12/18/567511218.db2.gz RAJJDGZZPJGYIT-UTUOFQBUSA-N 0 0 383.311 3.339 10 30 GGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000620314833 567511461 /nfs/dbraw/zinc/51/14/61/567511461.db2.gz SCUPLLPDMGTWBS-OWCLPIDISA-N 0 0 380.535 3.001 10 30 GGEERN CCn1c(CNC(=O)N(C)C[C@H](C)C#N)nc2cc(Br)ccc21 ZINC000479165832 567511516 /nfs/dbraw/zinc/51/15/16/567511516.db2.gz XNJDYSFEULLPBB-LLVKDONJSA-N 0 0 378.274 3.120 10 30 GGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000620314460 567511682 /nfs/dbraw/zinc/51/16/82/567511682.db2.gz GSVBEARCGZZSCT-IYBDPMFKSA-N 0 0 398.322 3.074 10 30 GGEERN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@@H](O)C12CCCC2 ZINC000594777307 567512149 /nfs/dbraw/zinc/51/21/49/567512149.db2.gz ZHUJUQJOSPMEOH-MRXNPFEDSA-N 0 0 376.503 3.150 10 30 GGEERN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCOC[C@@H]1CC(F)F ZINC000594777322 567512354 /nfs/dbraw/zinc/51/23/54/567512354.db2.gz ATXXTBKYAXTIEZ-LBPRGKRZSA-N 0 0 386.445 3.126 10 30 GGEERN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@]2(C1)CCCOC2 ZINC000594778177 567512409 /nfs/dbraw/zinc/51/24/09/567512409.db2.gz AWTRZQWZMKQDCX-SFHVURJKSA-N 0 0 376.503 3.273 10 30 GGEERN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@H](O)CC12CCC2 ZINC000594785736 567513102 /nfs/dbraw/zinc/51/31/02/567513102.db2.gz SOUGWVCXAKAPOP-AWEZNQCLSA-N 0 0 376.503 3.150 10 30 GGEERN C=CCN(Cc1cccs1)C(=O)C(=O)NCc1cc(Cl)ccc1OC ZINC000551513457 567513477 /nfs/dbraw/zinc/51/34/77/567513477.db2.gz OONNTULQPIPXHC-UHFFFAOYSA-N 0 0 378.881 3.241 10 30 GGEERN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@H](C)OCC12CCC2 ZINC000594797045 567513639 /nfs/dbraw/zinc/51/36/39/567513639.db2.gz USYXPOBXKMVJJZ-LBPRGKRZSA-N 0 0 376.503 3.414 10 30 GGEERN Cc1cc(S(=O)(=O)N2CCN(c3ccsc3C#N)CC2)c(Cl)cc1F ZINC000594807581 567514567 /nfs/dbraw/zinc/51/45/67/567514567.db2.gz KNTNPZLVFMAADU-UHFFFAOYSA-N 0 0 399.900 3.232 10 30 GGEERN CC[C@@H](COCC1CC1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000594800409 567514868 /nfs/dbraw/zinc/51/48/68/567514868.db2.gz FGCFAYAGIJOHBE-AWEZNQCLSA-N 0 0 376.400 3.061 10 30 GGEERN N#Cc1c(Br)cccc1S(=O)(=O)N1CCC(c2ccco2)CC1 ZINC000594799681 567514943 /nfs/dbraw/zinc/51/49/43/567514943.db2.gz PAOARRWCHOMOSB-UHFFFAOYSA-N 0 0 395.278 3.482 10 30 GGEERN N#Cc1ccc(CC(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)cn1 ZINC000529429689 567514986 /nfs/dbraw/zinc/51/49/86/567514986.db2.gz RHOAUJSLBUCVCM-MRXNPFEDSA-N 0 0 384.277 3.349 10 30 GGEERN Cn1cc(Br)c2ccc(S(=O)(=O)N3CCC[C@@H](CC#N)C3)cc21 ZINC000594807016 567515097 /nfs/dbraw/zinc/51/50/97/567515097.db2.gz SRAFZRQYVYVNHU-LBPRGKRZSA-N 0 0 396.310 3.255 10 30 GGEERN C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CSCN1C(=O)CC ZINC000458028346 567515263 /nfs/dbraw/zinc/51/52/63/567515263.db2.gz FUVQIUKVGHNMJV-CYBMUJFWSA-N 0 0 399.310 3.264 10 30 GGEERN N#CC[C@H]1CCCN(S(=O)(=O)c2cc(Br)cc3cccnc32)C1 ZINC000594805505 567515304 /nfs/dbraw/zinc/51/53/04/567515304.db2.gz OLOZEDDOFLVRGF-GFCCVEGCSA-N 0 0 394.294 3.312 10 30 GGEERN CC[C@@H](COCC1CC1)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000594800467 567515330 /nfs/dbraw/zinc/51/53/30/567515330.db2.gz GDAGWDKSZSHHAL-ZDUSSCGKSA-N 0 0 376.400 3.061 10 30 GGEERN C[C@]1(Cc2ccccc2Cl)CCCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000594811181 567516422 /nfs/dbraw/zinc/51/64/22/567516422.db2.gz YHMWBCVUTAVRLC-GOSISDBHSA-N 0 0 375.881 3.393 10 30 GGEERN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCc2cccc(Br)c2C1 ZINC000437986098 567516345 /nfs/dbraw/zinc/51/63/45/567516345.db2.gz NKNSXARCTMLHPG-YOEHRIQHSA-N 0 0 379.298 3.498 10 30 GGEERN N#CCC1CN(S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000594826749 567517412 /nfs/dbraw/zinc/51/74/12/567517412.db2.gz NOJJPUUPAIJTND-UHFFFAOYSA-N 0 0 383.189 3.002 10 30 GGEERN N#CCC1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)C1 ZINC000594826424 567517742 /nfs/dbraw/zinc/51/77/42/567517742.db2.gz ZGQOEUSIKBDCCU-UHFFFAOYSA-N 0 0 383.189 3.002 10 30 GGEERN CO[C@H](CNS(=O)(=O)Cc1ccc(CC#N)cc1)c1cccc(Cl)c1 ZINC000570838624 567518276 /nfs/dbraw/zinc/51/82/76/567518276.db2.gz FDOGJCZCHIQMCD-GOSISDBHSA-N 0 0 378.881 3.213 10 30 GGEERN CC(C)(C)OC(=O)CCC1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000594840260 567518974 /nfs/dbraw/zinc/51/89/74/567518974.db2.gz JRCPFAGUJBPHSI-UHFFFAOYSA-N 0 0 384.523 3.142 10 30 GGEERN C[C@@]1(CCNS(=O)(=O)c2cccc(Br)c2C#N)CC1(F)F ZINC000594857659 567520613 /nfs/dbraw/zinc/52/06/13/567520613.db2.gz NEHIVEVSFUUXGS-GFCCVEGCSA-N 0 0 379.226 3.034 10 30 GGEERN N#Cc1ccc(CC(=O)N2CCC[C@H]2Cc2ccccc2Br)cn1 ZINC000529499559 567520868 /nfs/dbraw/zinc/52/08/68/567520868.db2.gz XRDKOHKSDGWDKA-KRWDZBQOSA-N 0 0 384.277 3.492 10 30 GGEERN N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H](CCF)C2)c1 ZINC000594857370 567521093 /nfs/dbraw/zinc/52/10/93/567521093.db2.gz PBVUZMRCYBDEHN-NSHDSACASA-N 0 0 375.263 3.081 10 30 GGEERN C[C@]1(CCNS(=O)(=O)c2ccc(C#N)c(Br)c2)CC1(F)F ZINC000594858649 567521190 /nfs/dbraw/zinc/52/11/90/567521190.db2.gz UKUVFZQWKVDYEF-LBPRGKRZSA-N 0 0 379.226 3.034 10 30 GGEERN Cc1cc(Br)c(CNS(=O)(=O)CC2(C#N)CCCC2)s1 ZINC000594854488 567521340 /nfs/dbraw/zinc/52/13/40/567521340.db2.gz MWJLXWKGTSPRHE-UHFFFAOYSA-N 0 0 377.329 3.322 10 30 GGEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1cc(Br)cs1 ZINC000504071854 567521678 /nfs/dbraw/zinc/52/16/78/567521678.db2.gz CURYLTYPIWPLHM-HNNXBMFYSA-N 0 0 387.299 3.388 10 30 GGEERN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1cc(F)ccc1Br ZINC000504072846 567521943 /nfs/dbraw/zinc/52/19/43/567521943.db2.gz FSTFLAXJSSPWLA-QGZVFWFLSA-N 0 0 399.260 3.466 10 30 GGEERN COc1ccc(Br)cc1S(=O)(=O)NCC1(C#N)CCCCC1 ZINC000594869513 567522163 /nfs/dbraw/zinc/52/21/63/567522163.db2.gz MLSIYPGVEGJBCA-UHFFFAOYSA-N 0 0 387.299 3.210 10 30 GGEERN CC(C)Cn1c(CCC(N)=O)nnc1S[C@H](C#N)c1ccc(Cl)cc1 ZINC000594881344 567523923 /nfs/dbraw/zinc/52/39/23/567523923.db2.gz GGTVVPFTPDQVGO-CQSZACIVSA-N 0 0 377.901 3.362 10 30 GGEERN N#Cc1c(Br)cccc1S(=O)(=O)NCC1(C#N)CCCCC1 ZINC000594884794 567524011 /nfs/dbraw/zinc/52/40/11/567524011.db2.gz WTOQXDWVBVOQHA-UHFFFAOYSA-N 0 0 382.283 3.073 10 30 GGEERN C=CCNC(=O)CN1CCN(Cc2c(Cl)ccc(Cl)c2Cl)CC1 ZINC000643895863 567524336 /nfs/dbraw/zinc/52/43/36/567524336.db2.gz PYCOXHFAODEDPR-UHFFFAOYSA-N 0 0 376.715 3.067 10 30 GGEERN CC(C)O[C@]1(Cn2cc(C#N)c(=O)c3cc(Br)ccc32)CCOC1 ZINC000594891671 567524250 /nfs/dbraw/zinc/52/42/50/567524250.db2.gz PXICHOAXIQCHDO-SFHVURJKSA-N 0 0 391.265 3.220 10 30 GGEERN C=CCn1cc(C(=O)N[C@@H]2CCCCc3cc(Br)ccc32)nn1 ZINC000620487954 567524436 /nfs/dbraw/zinc/52/44/36/567524436.db2.gz DAZQGHQVHPHXQB-OAHLLOKOSA-N 0 0 375.270 3.424 10 30 GGEERN C=CCCc1ccccc1NC(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000504277756 567528218 /nfs/dbraw/zinc/52/82/18/567528218.db2.gz YHSCXFTWWROURN-UHFFFAOYSA-N 0 0 384.910 3.437 10 30 GGEERN Cc1c(F)c(Br)ccc1NC(=O)C(=O)NCC1(C#N)CCCC1 ZINC000595046622 567538716 /nfs/dbraw/zinc/53/87/16/567538716.db2.gz LRFWOUVHXGSHNH-UHFFFAOYSA-N 0 0 382.233 3.035 10 30 GGEERN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1nc(-c2cccs2)ns1 ZINC000504563659 567540520 /nfs/dbraw/zinc/54/05/20/567540520.db2.gz OSZDGMLXDNVHAW-INIZCTEOSA-N 0 0 378.479 3.467 10 30 GGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000663897812 567540810 /nfs/dbraw/zinc/54/08/10/567540810.db2.gz ZAXQTAPIRQTSHI-IYBDPMFKSA-N 0 0 392.297 3.072 10 30 GGEERN C[C@H](NS(=O)(=O)Cc1ccc(CC#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000571161869 567542006 /nfs/dbraw/zinc/54/20/06/567542006.db2.gz YTHRODSKXRMCTQ-JTQLQIEISA-N 0 0 389.424 3.409 10 30 GGEERN C[C@H]1CN(C(=O)CCOCC(F)(F)C(F)(F)F)C[C@@H](CC(F)(F)F)O1 ZINC000620805716 567545114 /nfs/dbraw/zinc/54/51/14/567545114.db2.gz MZWFCMVJKGTUKL-DTWKUNHWSA-N 0 0 387.267 3.159 10 30 GGEERN C[C@H]1CN(C(=O)CCOCC(F)(F)C(F)(F)F)C[C@H](CC(F)(F)F)O1 ZINC000620805717 567545125 /nfs/dbraw/zinc/54/51/25/567545125.db2.gz MZWFCMVJKGTUKL-IUCAKERBSA-N 0 0 387.267 3.159 10 30 GGEERN N#CC1(CNC(=O)C(=O)Nc2cc(F)ccc2Br)CCCCC1 ZINC000595183427 567546944 /nfs/dbraw/zinc/54/69/44/567546944.db2.gz QFJHVYLZXRKDQW-UHFFFAOYSA-N 0 0 382.233 3.117 10 30 GGEERN C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)C1CCC(F)CC1 ZINC000595194874 567547121 /nfs/dbraw/zinc/54/71/21/567547121.db2.gz PEHHROXYYULMGK-XSRFYTQQSA-N 0 0 396.260 3.292 10 30 GGEERN N#CC1(CNC(=O)C(=O)Nc2cccc(Br)c2F)CCCCC1 ZINC000595184786 567547506 /nfs/dbraw/zinc/54/75/06/567547506.db2.gz HTFWNRZJXLBAPM-UHFFFAOYSA-N 0 0 382.233 3.117 10 30 GGEERN N#Cc1cccc(NC(=O)C(=O)N(CCC2CC2)CC2CC2)c1Br ZINC000595218050 567548648 /nfs/dbraw/zinc/54/86/48/567548648.db2.gz DYVSTNYZDZUSQA-UHFFFAOYSA-N 0 0 390.281 3.298 10 30 GGEERN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000595209858 567548827 /nfs/dbraw/zinc/54/88/27/567548827.db2.gz SGPSKLVBIWOXLL-BETUJISGSA-N 0 0 394.225 3.005 10 30 GGEERN CC(C)c1n[nH]c(C(=O)NCc2cc(F)c(C#N)c(F)c2)c1Br ZINC000552036632 567551865 /nfs/dbraw/zinc/55/18/65/567551865.db2.gz KFELVSBNZUFRIG-UHFFFAOYSA-N 0 0 383.196 3.375 10 30 GGEERN CN(C(=O)COc1ccc(I)cc1)c1ccccc1C#N ZINC000479686470 567552498 /nfs/dbraw/zinc/55/24/98/567552498.db2.gz GFWDOVVKVLFOKV-UHFFFAOYSA-N 0 0 392.196 3.205 10 30 GGEERN Cc1cc([C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)c(O)cc1Cl ZINC000595352448 567557693 /nfs/dbraw/zinc/55/76/93/567557693.db2.gz KXUWUSJQIKTYLB-AWEZNQCLSA-N 0 0 376.865 3.404 10 30 GGEERN C[C@@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000595358363 567557843 /nfs/dbraw/zinc/55/78/43/567557843.db2.gz UTOKJVMFZLPWAE-GFCCVEGCSA-N 0 0 399.310 3.043 10 30 GGEERN Cc1cc([C@H]2CCN(S(=O)(=O)c3cccc(C#N)c3)C2)c(O)cc1Cl ZINC000595353403 567557909 /nfs/dbraw/zinc/55/79/09/567557909.db2.gz OCXRUZRCOXPJAQ-AWEZNQCLSA-N 0 0 376.865 3.404 10 30 GGEERN C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000595358364 567557936 /nfs/dbraw/zinc/55/79/36/567557936.db2.gz UTOKJVMFZLPWAE-LBPRGKRZSA-N 0 0 399.310 3.043 10 30 GGEERN C[C@H]1COC2(CCCC2)CN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000595356743 567558263 /nfs/dbraw/zinc/55/82/63/567558263.db2.gz JIQSKJFPXYDNRR-LBPRGKRZSA-N 0 0 399.310 3.043 10 30 GGEERN CCN([C@@H](C)C#N)S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000595358533 567558312 /nfs/dbraw/zinc/55/83/12/567558312.db2.gz ZMHLTJMATUXJKD-QMMMGPOBSA-N 0 0 385.205 3.391 10 30 GGEERN C[C@@]1(C#N)CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)C1 ZINC000595371757 567559060 /nfs/dbraw/zinc/55/90/60/567559060.db2.gz MBNOVMFVLHKUJC-LBPRGKRZSA-N 0 0 397.216 3.392 10 30 GGEERN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000595371916 567559190 /nfs/dbraw/zinc/55/91/90/567559190.db2.gz GWQBUXGDBIKAPO-TXEJJXNPSA-N 0 0 387.255 3.229 10 30 GGEERN C[C@@]1(C#N)CCN(S(=O)(=O)Cc2ccc(Br)cc2Cl)C1 ZINC000595372028 567559269 /nfs/dbraw/zinc/55/92/69/567559269.db2.gz NLEWBASWAXXBAS-ZDUSSCGKSA-N 0 0 377.691 3.168 10 30 GGEERN C[C@@]1(C#N)CCN(S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)C1 ZINC000595368298 567559450 /nfs/dbraw/zinc/55/94/50/567559450.db2.gz ZPSHENBSPMVSDQ-LBPRGKRZSA-N 0 0 397.216 3.392 10 30 GGEERN CC[C@@H](Cc1ccc(Br)cc1)NS(=O)(=O)CC1(C#N)CCC1 ZINC000595374735 567559462 /nfs/dbraw/zinc/55/94/62/567559462.db2.gz CYJAYZIFWYSCJL-HNNXBMFYSA-N 0 0 385.327 3.383 10 30 GGEERN C[C@@]1(C#N)CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000595371998 567559498 /nfs/dbraw/zinc/55/94/98/567559498.db2.gz MYUVGOSTSRFEOA-LBPRGKRZSA-N 0 0 381.654 3.166 10 30 GGEERN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000595373913 567559523 /nfs/dbraw/zinc/55/95/23/567559523.db2.gz XMEVOYJSSHCAQJ-BETUJISGSA-N 0 0 385.869 3.007 10 30 GGEERN Cc1ccc2c(c1Br)CN(S(=O)(=O)c1cnc(C)c(C#N)c1)C2 ZINC000595383117 567560142 /nfs/dbraw/zinc/56/01/42/567560142.db2.gz ZUIICIZEJKSAEI-UHFFFAOYSA-N 0 0 392.278 3.037 10 30 GGEERN N#C[C@@H]1COCCN1C(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 ZINC000479809658 567560242 /nfs/dbraw/zinc/56/02/42/567560242.db2.gz ZESGBDLKYUYUCU-CQSZACIVSA-N 0 0 377.231 3.497 10 30 GGEERN C[C@@H]1CN(S(=O)(=O)CC2(CC#N)CC2)c2ccc(Br)cc2O1 ZINC000595404421 567562648 /nfs/dbraw/zinc/56/26/48/567562648.db2.gz YHUDMIMIPOWCDA-LLVKDONJSA-N 0 0 385.283 3.060 10 30 GGEERN N#Cc1cccc(N2CCN(Cc3ncc(Br)cc3Cl)CC2)n1 ZINC000595435405 567563773 /nfs/dbraw/zinc/56/37/73/567563773.db2.gz PIUJKQBLSBRYST-UHFFFAOYSA-N 0 0 392.688 3.086 10 30 GGEERN N#Cc1ccc(C2(NC(=O)c3ccc(Br)o3)CCOCC2)cc1 ZINC000530062424 567566211 /nfs/dbraw/zinc/56/62/11/567566211.db2.gz ROBPYGLEHSTHSC-UHFFFAOYSA-N 0 0 375.222 3.349 10 30 GGEERN Cn1cc([C@H](NCc2cc(C#N)ccc2Br)C2(CO)CCC2)cn1 ZINC000595494790 567567844 /nfs/dbraw/zinc/56/78/44/567567844.db2.gz PNRCALISEVZLIE-KRWDZBQOSA-N 0 0 389.297 3.048 10 30 GGEERN C[C@@]1(C#N)CCN(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000595521700 567569255 /nfs/dbraw/zinc/56/92/55/567569255.db2.gz UWOYMHUHNJEVQI-AWEZNQCLSA-N 0 0 376.766 3.078 10 30 GGEERN N#Cc1cc(Cl)cc(Br)c1N1CCN(c2cccnn2)CC1 ZINC000439151619 567569242 /nfs/dbraw/zinc/56/92/42/567569242.db2.gz GACUNNMZFPQXBA-UHFFFAOYSA-N 0 0 378.661 3.091 10 30 GGEERN COc1cc(C#N)cc(Br)c1OCc1cn(-c2ccccc2)nn1 ZINC000479933313 567569976 /nfs/dbraw/zinc/56/99/76/567569976.db2.gz PNIJVMMAWVDLKW-UHFFFAOYSA-N 0 0 385.221 3.489 10 30 GGEERN CO[C@@H](c1ccccc1Cl)[C@H](C)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000479948125 567570154 /nfs/dbraw/zinc/57/01/54/567570154.db2.gz KEMAOYDPKQFJDW-APPDUMDISA-N 0 0 382.844 3.405 10 30 GGEERN COc1cc(Br)ccc1CCCNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595582467 567572390 /nfs/dbraw/zinc/57/23/90/567572390.db2.gz VONABYPKFRNHAC-KRWDZBQOSA-N 0 0 380.286 3.335 10 30 GGEERN CC[C@H](NC(=O)NCc1cc(F)c(C(F)(F)F)cc1F)[C@@H](O)C(F)F ZINC000458764719 567574003 /nfs/dbraw/zinc/57/40/03/567574003.db2.gz ROQRDBNCGGZJOD-WDEREUQCSA-N 0 0 376.272 3.187 10 30 GGEERN C[C@@H]1CN(C(=O)NCc2ccc(C#N)c(Cl)c2)C[C@H](CC(F)(F)F)O1 ZINC000595603045 567574243 /nfs/dbraw/zinc/57/42/43/567574243.db2.gz XCCGPHAFPBIDRC-MFKMUULPSA-N 0 0 375.778 3.463 10 30 GGEERN C=CCCSCCNC(=O)NCc1cc(Cl)ccc1N1CCOCC1 ZINC000595605509 567574443 /nfs/dbraw/zinc/57/44/43/567574443.db2.gz JYYNQYIZRUELII-UHFFFAOYSA-N 0 0 383.945 3.285 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)NCCc2ccc(I)cc2)C1 ZINC000595640812 567575770 /nfs/dbraw/zinc/57/57/70/567575770.db2.gz UFYNTGSPOYDTEG-ZFWWWQNUSA-N 0 0 397.260 3.215 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)N2CCOc3cc(Br)ccc3C2)C1 ZINC000595640972 567575988 /nfs/dbraw/zinc/57/59/88/567575988.db2.gz ZNHOQVDTKKASGF-WFASDCNBSA-N 0 0 378.270 3.435 10 30 GGEERN C[C@@]1(C#N)CCN(C(=O)NCc2c(F)c(F)c(Br)c(F)c2F)C1 ZINC000595649068 567576671 /nfs/dbraw/zinc/57/66/71/567576671.db2.gz KWJMCFHGGFYTOD-AWEZNQCLSA-N 0 0 394.166 3.451 10 30 GGEERN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@@H]1CC12CCSCC2 ZINC000571666222 567579537 /nfs/dbraw/zinc/57/95/37/567579537.db2.gz NQSWZVGZTZUCPG-ZDUSSCGKSA-N 0 0 390.452 3.389 10 30 GGEERN Cc1ccc2c(ncc(C#N)c2NC[C@@]2(CCO)CCOC2)c1Br ZINC000480085533 567580107 /nfs/dbraw/zinc/58/01/07/567580107.db2.gz MIPQVXNRAUWYIL-GOSISDBHSA-N 0 0 390.281 3.378 10 30 GGEERN N#C[C@H](NC(=O)Cc1csc2nccn12)c1ccc(Br)cc1 ZINC000480105744 567581817 /nfs/dbraw/zinc/58/18/17/567581817.db2.gz AZLZISJJXWWVPD-ZDUSSCGKSA-N 0 0 375.251 3.082 10 30 GGEERN N#Cc1ccc(Cl)c(C(=O)N[C@H](CO)c2cccc(Br)c2)c1 ZINC000552409041 567587352 /nfs/dbraw/zinc/58/73/52/567587352.db2.gz LUGUZTQSHOLCAA-OAHLLOKOSA-N 0 0 379.641 3.438 10 30 GGEERN C[C@H]1CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](CC(F)(F)F)O1 ZINC000595890446 567590286 /nfs/dbraw/zinc/59/02/86/567590286.db2.gz MIRAEGMOVJAMNP-GXFFZTMASA-N 0 0 375.778 3.192 10 30 GGEERN Cc1sc(NC(=O)CN2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)c(C#N)c1C ZINC000595894549 567590582 /nfs/dbraw/zinc/59/05/82/567590582.db2.gz ZXMIJRJHDQTMSO-SKDRFNHKSA-N 0 0 375.416 3.217 10 30 GGEERN CC(C)(C)OC(=O)C1(NCc2ccc(Br)cc2C#N)CCOCC1 ZINC000595896242 567590604 /nfs/dbraw/zinc/59/06/04/567590604.db2.gz AVAWKUSEUGJZIJ-UHFFFAOYSA-N 0 0 395.297 3.301 10 30 GGEERN C=CCN(C)C(=O)c1cc(Br)cc(I)c1 ZINC000552446492 567590943 /nfs/dbraw/zinc/59/09/43/567590943.db2.gz IGPKOCIVELCUGK-UHFFFAOYSA-N 0 0 380.023 3.312 10 30 GGEERN COC(=O)c1sc2c(c1Br)CN(Cc1ccc(C#N)cn1)C2 ZINC000595906173 567591419 /nfs/dbraw/zinc/59/14/19/567591419.db2.gz XVOJQIYYFUQZFQ-UHFFFAOYSA-N 0 0 378.251 3.080 10 30 GGEERN CCOC(=O)c1csc([C@@H](C#N)C(=O)Nc2cccc(Br)c2)n1 ZINC000505751739 567593896 /nfs/dbraw/zinc/59/38/96/567593896.db2.gz WISQSKBSYCJKJZ-NSHDSACASA-N 0 0 394.250 3.328 10 30 GGEERN N#CC[C@@H]1CC[C@H](NC(=O)N(CCO)Cc2cc(Br)cs2)C1 ZINC000459011965 567594346 /nfs/dbraw/zinc/59/43/46/567594346.db2.gz NTVMLWDDQYPSFE-AAEUAGOBSA-N 0 0 386.315 3.097 10 30 GGEERN CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1nn(C)cc1Br ZINC000459024490 567594525 /nfs/dbraw/zinc/59/45/25/567594525.db2.gz OLKJYWIENYDSBD-UHFFFAOYSA-N 0 0 390.285 3.174 10 30 GGEERN C=C(C)C[C@H](NC(C)=O)c1nc(-c2cc(Br)c(O)c(OC)c2)no1 ZINC000664851209 567595067 /nfs/dbraw/zinc/59/50/67/567595067.db2.gz TUHGIPBNNXPPHM-LBPRGKRZSA-N 0 0 396.241 3.357 10 30 GGEERN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CSc2ccc(Br)cc21 ZINC000644967188 567595337 /nfs/dbraw/zinc/59/53/37/567595337.db2.gz SZSPIKHTQUXFKR-BPNCWPANSA-N 0 0 383.311 3.486 10 30 GGEERN 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/nfs/dbraw/zinc/75/60/56/567756056.db2.gz CAVRKZSNYQXSCL-UHFFFAOYSA-N 0 0 376.254 3.290 10 30 GGEERN N#CC1(CNC(=O)Cc2ccc(I)cc2)CCCCC1 ZINC000598313523 567756082 /nfs/dbraw/zinc/75/60/82/567756082.db2.gz MHLJJCVUKCPCED-UHFFFAOYSA-N 0 0 382.245 3.424 10 30 GGEERN C[C@H]1COC2(CCCC2)CN1C(=O)COc1cccc(Br)c1C#N ZINC000598348369 567758346 /nfs/dbraw/zinc/75/83/46/567758346.db2.gz FBEPPVGZDIARDF-ZDUSSCGKSA-N 0 0 393.281 3.260 10 30 GGEERN Cc1ccc(N[C@@H](C)c2ccc(Br)cc2OCCCO)nc1C#N ZINC000461997637 567758605 /nfs/dbraw/zinc/75/86/05/567758605.db2.gz ZEILBBWDOMFBMD-ZDUSSCGKSA-N 0 0 390.281 3.380 10 30 GGEERN C[C@@H]1COC2(CCCC2)CN1C(=O)COc1ccc(C#N)c(Br)c1 ZINC000598349884 567758571 /nfs/dbraw/zinc/75/85/71/567758571.db2.gz NTVTZWMFQUESKK-CYBMUJFWSA-N 0 0 393.281 3.260 10 30 GGEERN COc1cc(CNS(=O)(=O)c2ccc(Cl)c(F)c2Cl)ccc1C#N ZINC000554969019 567760152 /nfs/dbraw/zinc/76/01/52/567760152.db2.gz CHCUEPYXKIGPQE-UHFFFAOYSA-N 0 0 389.235 3.491 10 30 GGEERN C=CCOc1c(Br)cc(CN2CC[C@H](C(=O)OC)C2)cc1OCC 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C[C@]1(C#N)CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000598408906 567763297 /nfs/dbraw/zinc/76/32/97/567763297.db2.gz DAGCDYOFMBUQJZ-CRAIPNDOSA-N 0 0 380.275 3.360 10 30 GGEERN C[C@@]1(C#N)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000598411845 567763324 /nfs/dbraw/zinc/76/33/24/567763324.db2.gz QQBOWWMPWVUJRD-QAPCUYQASA-N 0 0 380.275 3.360 10 30 GGEERN C[C@@]1(C#N)CCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 ZINC000598415040 567763372 /nfs/dbraw/zinc/76/33/72/567763372.db2.gz IATUOLGFLNDJIF-KRWDZBQOSA-N 0 0 377.282 3.259 10 30 GGEERN C[C@]1(C#N)CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000598409259 567763383 /nfs/dbraw/zinc/76/33/83/567763383.db2.gz GYFWRBHQXQDFDY-MAUKXSAKSA-N 0 0 380.275 3.360 10 30 GGEERN C[C@]1(C#N)CCN(C(=O)CCC[S@@](=O)c2ccc(Br)cc2)C1 ZINC000598409966 567763419 /nfs/dbraw/zinc/76/34/19/567763419.db2.gz COFLSYUCBXWODV-OPAMFIHVSA-N 0 0 383.311 3.099 10 30 GGEERN C[C@]1(C#N)CCN(C(=O)CCCOc2ccc(I)cc2)C1 ZINC000598417041 567763467 /nfs/dbraw/zinc/76/34/67/567763467.db2.gz XQEVPOVRGJDSOF-MRXNPFEDSA-N 0 0 398.244 3.212 10 30 GGEERN C[C@@]1(C#N)CCN(C(=O)CCC(=O)c2ccc(I)cc2)C1 ZINC000598406676 567763659 /nfs/dbraw/zinc/76/36/59/567763659.db2.gz VLJUUOWMBDNPSC-INIZCTEOSA-N 0 0 396.228 3.016 10 30 GGEERN C[C@@]1(C#N)CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000598408911 567763859 /nfs/dbraw/zinc/76/38/59/567763859.db2.gz DAGCDYOFMBUQJZ-YJBOKZPZSA-N 0 0 380.275 3.360 10 30 GGEERN COCC[C@H](Cc1cccc(Br)c1)C(=O)N1CC[C@](C)(C#N)C1 ZINC000598407797 567763867 /nfs/dbraw/zinc/76/38/67/567763867.db2.gz FSPCSWXBCFOLTK-CRAIPNDOSA-N 0 0 379.298 3.406 10 30 GGEERN N#CC1(C(=O)Nc2nc3cc(I)ccc3[nH]2)CCCC1 ZINC000598424194 567765381 /nfs/dbraw/zinc/76/53/81/567765381.db2.gz OBEQPJKVHXBRHK-UHFFFAOYSA-N 0 0 380.189 3.190 10 30 GGEERN COC(=O)[C@@H](c1cccc(Br)c1)N(C)Cc1nc(C#N)cs1 ZINC000555093721 567767819 /nfs/dbraw/zinc/76/78/19/567767819.db2.gz ZQLCTHHCBSQNPI-CQSZACIVSA-N 0 0 380.267 3.123 10 30 GGEERN 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WUYCRMZDGUFWJE-RKLWJJNISA-N 0 0 383.261 3.334 10 30 GGEERN C=CCn1c(-c2cccc(Br)c2)nnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000508883508 567771411 /nfs/dbraw/zinc/77/14/11/567771411.db2.gz AUPFSDQALKOBRB-GASCZTMLSA-N 0 0 375.270 3.261 10 30 GGEERN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnc2n1CCOC2 ZINC000667739193 567772037 /nfs/dbraw/zinc/77/20/37/567772037.db2.gz LLSBDXAUBBPPLJ-UHFFFAOYSA-N 0 0 394.244 3.143 10 30 GGEERN CCOC(=O)C[C@H]1C[C@@H](OC)CN1c1cc(Br)c(C#N)cc1F ZINC000574338853 567772553 /nfs/dbraw/zinc/77/25/53/567772553.db2.gz DWDNPNQABOFUKG-VXGBXAGGSA-N 0 0 385.233 3.007 10 30 GGEERN COC(=O)c1sc2c(c1Br)CN(C(=O)C1(C#N)CCCC1)C2 ZINC000598538435 567773787 /nfs/dbraw/zinc/77/37/87/567773787.db2.gz CURQVFFRDLMFFJ-UHFFFAOYSA-N 0 0 383.267 3.223 10 30 GGEERN C=CCOCCCC(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1 ZINC000598543271 567774817 /nfs/dbraw/zinc/77/48/17/567774817.db2.gz HNQREEBJKWVYJH-UHFFFAOYSA-N 0 0 388.283 3.122 10 30 GGEERN C[C@@H](C(=O)N(c1nccs1)c1ccc(F)c(Cl)c1)n1cnc(C#N)n1 ZINC000462112402 567775083 /nfs/dbraw/zinc/77/50/83/567775083.db2.gz QSMHDLGLBFHVCJ-VIFPVBQESA-N 0 0 376.804 3.325 10 30 GGEERN C=CCCO[C@@H](C)C(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1 ZINC000598541977 567775127 /nfs/dbraw/zinc/77/51/27/567775127.db2.gz ADEVDIXXPWPOQX-VIFPVBQESA-N 0 0 388.283 3.121 10 30 GGEERN N#C[C@]1(C(=O)N(CCO)Cc2cc(Br)cs2)CC12CCCC2 ZINC000574399765 567776333 /nfs/dbraw/zinc/77/63/33/567776333.db2.gz ZOACBZRMFHHAID-INIZCTEOSA-N 0 0 383.311 3.306 10 30 GGEERN C[C@H](C#N)CN(C1CC1)S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000533608499 567777636 /nfs/dbraw/zinc/77/76/36/567777636.db2.gz SDBNJZGEXYHECX-SECBINFHSA-N 0 0 377.691 3.415 10 30 GGEERN COc1cc(Br)ccc1CNS(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000443886950 567778242 /nfs/dbraw/zinc/77/82/42/567778242.db2.gz FHKQCULOZNAEDF-UHFFFAOYSA-N 0 0 395.278 3.116 10 30 GGEERN CN1C(=O)C[C@@H](Nc2ccc(Cl)c(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533638328 567779644 /nfs/dbraw/zinc/77/96/44/567779644.db2.gz PUPCCTLNVCMNGC-DYVFJYSZSA-N 0 0 379.222 3.205 10 30 GGEERN CN1C(=O)C[C@@H](Nc2ccc(Cl)c(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533638323 567779777 /nfs/dbraw/zinc/77/97/77/567779777.db2.gz PUPCCTLNVCMNGC-CXAGYDPISA-N 0 0 379.222 3.205 10 30 GGEERN CN1C(=O)C[C@H](Nc2ccc(Cl)c(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533638332 567780074 /nfs/dbraw/zinc/78/00/74/567780074.db2.gz PUPCCTLNVCMNGC-GUYCJALGSA-N 0 0 379.222 3.205 10 30 GGEERN COc1nc(C)cc(C)c1CN(C)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000598627745 567780444 /nfs/dbraw/zinc/78/04/44/567780444.db2.gz QWOIKQOWRHITRB-UHFFFAOYSA-N 0 0 379.869 3.053 10 30 GGEERN CN1C(=O)C[C@@H](NC(=O)c2ccc(C#N)s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000533655993 567780906 /nfs/dbraw/zinc/78/09/06/567780906.db2.gz XTNLTFLZVAIPIZ-CZUORRHYSA-N 0 0 377.828 3.114 10 30 GGEERN CC(=O)Nc1ccccc1CC(=O)N[C@H](C#N)c1ccc(Br)cc1 ZINC000443949938 567781614 /nfs/dbraw/zinc/78/16/14/567781614.db2.gz UHOHSSHLWYHTJK-QGZVFWFLSA-N 0 0 386.249 3.331 10 30 GGEERN C=CC(C)(C)CCNC(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000624465530 567782320 /nfs/dbraw/zinc/78/23/20/567782320.db2.gz UNFMXRWLEFTIBV-UHFFFAOYSA-N 0 0 381.318 3.278 10 30 GGEERN N#Cc1cc(S(=O)(=O)NCCc2cc(C(F)(F)F)ccn2)ccc1Cl ZINC000555414228 567783597 /nfs/dbraw/zinc/78/35/97/567783597.db2.gz GIQPMEGBEXKGNI-UHFFFAOYSA-N 0 0 389.786 3.146 10 30 GGEERN N#CC1(CC(=O)Nc2cc(-c3ccc(Br)o3)no2)CCOCC1 ZINC000598691843 567783602 /nfs/dbraw/zinc/78/36/02/567783602.db2.gz YGAFKRZRADQRNW-UHFFFAOYSA-N 0 0 380.198 3.346 10 30 GGEERN COC(=O)[C@@](C)(NC(=O)c1cc(C#N)ccn1)c1ccc(Cl)c(Cl)c1 ZINC000555579088 567790027 /nfs/dbraw/zinc/79/00/27/567790027.db2.gz SYRFEEGLHLHLLH-KRWDZBQOSA-N 0 0 378.215 3.078 10 30 GGEERN CS(=O)(=O)c1csc(C(=O)Nc2ccc(C#N)c(Br)c2)c1 ZINC000574675833 567791757 /nfs/dbraw/zinc/79/17/57/567791757.db2.gz XAYZIVUSNGRITH-UHFFFAOYSA-N 0 0 385.264 3.038 10 30 GGEERN C[C@@H](CC#N)C(=O)Nc1ccc(N(C)C(=O)[C@@H](C)CC#N)c(Br)c1 ZINC000598821618 567792125 /nfs/dbraw/zinc/79/21/25/567792125.db2.gz MMGZYMNGRWQOJQ-RYUDHWBXSA-N 0 0 391.269 3.450 10 30 GGEERN CC(C)(C)OC(=O)[C@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)C1CC1 ZINC000598824269 567792177 /nfs/dbraw/zinc/79/21/77/567792177.db2.gz ONGACHCUJAYJCK-CABCVRRESA-N 0 0 393.281 3.498 10 30 GGEERN COC(=O)C1(C(=O)Nc2ccc(C#N)c(Br)c2)CC2(CCC2)C1 ZINC000598836169 567793030 /nfs/dbraw/zinc/79/30/30/567793030.db2.gz BVCYUSHURMHFPJ-UHFFFAOYSA-N 0 0 377.238 3.383 10 30 GGEERN C[C@H]1CN(C(=O)CC2(C#N)CCOCC2)c2cc(Br)ccc2O1 ZINC000598830635 567793530 /nfs/dbraw/zinc/79/35/30/567793530.db2.gz BYFTZCDYTCMSDX-LBPRGKRZSA-N 0 0 379.254 3.273 10 30 GGEERN N#Cc1ccc2c(c1)CCN2C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000598847161 567795016 /nfs/dbraw/zinc/79/50/16/567795016.db2.gz YQKBVXYVOOTUQB-AEFFLSMTSA-N 0 0 398.260 3.383 10 30 GGEERN CC(C)(C)OC(=O)C(C)(C)C(=O)N[C@@H](C#N)c1ccccc1Br ZINC000598879080 567797321 /nfs/dbraw/zinc/79/73/21/567797321.db2.gz LWFCGDUDLOSUFT-ZDUSSCGKSA-N 0 0 381.270 3.498 10 30 GGEERN C[C@@H](CC#N)C(=O)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000598912779 567798830 /nfs/dbraw/zinc/79/88/30/567798830.db2.gz WHHXHGCZJRIBNE-LBPRGKRZSA-N 0 0 393.285 3.111 10 30 GGEERN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCc2nccc(Br)c2C1 ZINC000598947035 567799807 /nfs/dbraw/zinc/79/98/07/567799807.db2.gz WZVQRPHMZNAEPQ-LBPRGKRZSA-N 0 0 385.265 3.101 10 30 GGEERN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCc2nccc(Br)c2C1 ZINC000598946369 567800267 /nfs/dbraw/zinc/80/02/67/567800267.db2.gz QBBRRCIQDROVGK-GFCCVEGCSA-N 0 0 385.265 3.101 10 30 GGEERN CC(C)[C@]1(C2CC2)NC(=O)N(Cc2ccc(Br)cc2C#N)C1=O ZINC000574839106 567800404 /nfs/dbraw/zinc/80/04/04/567800404.db2.gz IWLGAQGPAOCWKA-QGZVFWFLSA-N 0 0 376.254 3.177 10 30 GGEERN C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@]2(CCSC2)C1 ZINC000574876931 567801885 /nfs/dbraw/zinc/80/18/85/567801885.db2.gz MCODLUJQGMOKBZ-SFHVURJKSA-N 0 0 376.551 3.219 10 30 GGEERN C=CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](CCF)C1 ZINC000624833004 567801837 /nfs/dbraw/zinc/80/18/37/567801837.db2.gz KXGYHRIEGNVUDO-OAHLLOKOSA-N 0 0 395.276 3.458 10 30 GGEERN C=CCn1c(COCC)nnc1N1CCc2cc(F)cc(Br)c2C1 ZINC000624825127 567801892 /nfs/dbraw/zinc/80/18/92/567801892.db2.gz YSQSRUCZHWIYRQ-UHFFFAOYSA-N 0 0 395.276 3.465 10 30 GGEERN C=CCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](CCF)C1 ZINC000624827834 567802279 /nfs/dbraw/zinc/80/22/79/567802279.db2.gz AEWVKUKVMGOEMD-CYBMUJFWSA-N 0 0 395.276 3.458 10 30 GGEERN C=CCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](CO)C[C@H]1C ZINC000624835739 567802607 /nfs/dbraw/zinc/80/26/07/567802607.db2.gz NZAZRNHCESFCCX-ZIAGYGMSSA-N 0 0 391.313 3.491 10 30 GGEERN C=CCn1c([C@@H]2CCCS2)nnc1N1CCN(c2ncc(C)s2)CC1 ZINC000574911237 567804045 /nfs/dbraw/zinc/80/40/45/567804045.db2.gz VHLKGDQKLPSELG-AWEZNQCLSA-N 0 0 376.555 3.124 10 30 GGEERN C=CCCCN1C(=O)N[C@H](Cc2c[nH]c3ccc(Br)cc23)C1=O ZINC000574933387 567804687 /nfs/dbraw/zinc/80/46/87/567804687.db2.gz PEKAOBARIDZRDU-OAHLLOKOSA-N 0 0 376.254 3.360 10 30 GGEERN N#Cc1ccc(N2CC[C@H](Oc3cncc(Br)c3)C2)cc1[N+](=O)[O-] ZINC000599106435 567805477 /nfs/dbraw/zinc/80/54/77/567805477.db2.gz IDHYYDQVAAPXBI-AWEZNQCLSA-N 0 0 389.209 3.282 10 30 GGEERN Cc1c(Br)c(N2CC(Nc3cccc(C#N)c3)C2)ncc1[N+](=O)[O-] ZINC000599111004 567806570 /nfs/dbraw/zinc/80/65/70/567806570.db2.gz IZCHHMYSWACTGH-UHFFFAOYSA-N 0 0 388.225 3.233 10 30 GGEERN N#Cc1cc(Br)cnc1NCC1(OCCO)CCC(F)(F)CC1 ZINC000599139890 567807000 /nfs/dbraw/zinc/80/70/00/567807000.db2.gz MZWHRGVUXXTIIO-UHFFFAOYSA-N 0 0 390.228 3.085 10 30 GGEERN CCc1nnc(NCc2cc(Br)cnc2OC)c(C#N)c1CC ZINC000599147050 567808027 /nfs/dbraw/zinc/80/80/27/567808027.db2.gz KHIJKFHLUPLWCU-UHFFFAOYSA-N 0 0 376.258 3.251 10 30 GGEERN C[C@H](C#N)CNC(=O)N1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000575013852 567808600 /nfs/dbraw/zinc/80/86/00/567808600.db2.gz PWOBTGTURNRLBP-OCCSQVGLSA-N 0 0 397.260 3.025 10 30 GGEERN COC(=O)[C@H](C[C@H]1CCCOC1)Nc1cc(Br)c(C#N)cc1F ZINC000599165621 567808819 /nfs/dbraw/zinc/80/88/19/567808819.db2.gz OQRPQEBTNVUDHH-BMIGLBTASA-N 0 0 385.233 3.230 10 30 GGEERN N#Cc1c(Br)cccc1NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000599183823 567809550 /nfs/dbraw/zinc/80/95/50/567809550.db2.gz APRJWGBDIUEODC-HNNXBMFYSA-N 0 0 387.281 3.029 10 30 GGEERN C=CCOc1ccc(CN2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)cc1Cl ZINC000668470296 567811037 /nfs/dbraw/zinc/81/10/37/567811037.db2.gz UGAGORRCVZDTQR-IUODEOHRSA-N 0 0 397.846 3.312 10 30 GGEERN CS(=O)(=O)[C@@H]1CN(Cc2cc(F)cc(C(F)(F)F)c2)C[C@H]1C(F)(F)F ZINC000668470295 567811082 /nfs/dbraw/zinc/81/10/82/567811082.db2.gz UFCDVQIDHXHTRN-VXGBXAGGSA-N 0 0 393.324 3.252 10 30 GGEERN CC(C)[C@H](C#N)N1CCN(C(=O)c2ccc(Br)c(F)c2F)CC1 ZINC000599249491 567811519 /nfs/dbraw/zinc/81/15/19/567811519.db2.gz UJSLVVDWLFQQJG-ZDUSSCGKSA-N 0 0 386.240 3.033 10 30 GGEERN C=C(C)[C@H](CC(=O)N1CCN(Cc2ccc(Br)cc2)CC1)OCC ZINC000534452427 567812407 /nfs/dbraw/zinc/81/24/07/567812407.db2.gz QZOITJFPAYVXLK-SFHVURJKSA-N 0 0 395.341 3.465 10 30 GGEERN C=CCOc1c(Br)cc(CN2CC[C@H](O)C(F)(F)C2)cc1OC ZINC000668500527 567812665 /nfs/dbraw/zinc/81/26/65/567812665.db2.gz AMRRHVHEQZQDCL-AWEZNQCLSA-N 0 0 392.240 3.224 10 30 GGEERN C=CCOc1c(Br)cc(CN2C[C@H](C)C(O)[C@@H](C)C2)cc1OC ZINC000668555724 567813825 /nfs/dbraw/zinc/81/38/25/567813825.db2.gz CZJRLQSMFKQUMO-STQMWFEESA-N 0 0 384.314 3.471 10 30 GGEERN C=CCOc1c(Br)cc(CN2C[C@@H]3COC[C@@]3(C)C2)cc1OC ZINC000668595399 567814397 /nfs/dbraw/zinc/81/43/97/567814397.db2.gz NDWOIPSJESCQRF-RDTXWAMCSA-N 0 0 382.298 3.491 10 30 GGEERN C=CCOc1c(Br)cc(CN2CCC(=O)N(C)CC2)cc1OCC ZINC000668621407 567815124 /nfs/dbraw/zinc/81/51/24/567815124.db2.gz HHVNUARTQDRWBM-UHFFFAOYSA-N 0 0 397.313 3.077 10 30 GGEERN COc1ccc(CSc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)cc1C#N ZINC000534681330 567815856 /nfs/dbraw/zinc/81/58/56/567815856.db2.gz UGCUIOOWJPANSE-UHFFFAOYSA-N 0 0 378.431 3.171 10 30 GGEERN COc1cccc(C(=O)N=C(NCc2ccccn2)Nc2ccccc2OC)c1 ZINC000046126077 570210029 /nfs/dbraw/zinc/21/00/29/570210029.db2.gz AUXZQSMVQQCPRU-UHFFFAOYSA-N 0 0 390.443 3.497 10 30 GGEERN CC(=O)Nc1cccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccccc2)c1 ZINC000046128925 570210779 /nfs/dbraw/zinc/21/07/79/570210779.db2.gz KLFNNGLJZCXUBS-IBGZPJMESA-N 0 0 380.448 3.022 10 30 GGEERN O=C(N=C(NCc1cccnc1)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000046128455 570210896 /nfs/dbraw/zinc/21/08/96/570210896.db2.gz JJYTVHOOHUPYCI-UHFFFAOYSA-N 0 0 388.427 3.251 10 30 GGEERN Cc1ccccc1NC(=NC(=O)c1ccc2c(c1)OCO2)NC[C@@H]1CCCO1 ZINC000046129275 570211057 /nfs/dbraw/zinc/21/10/57/570211057.db2.gz STZGVXRIAABVOO-INIZCTEOSA-N 0 0 381.432 3.101 10 30 GGEERN CCOc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cccc(OC)c2)cc1 ZINC000046129648 570211176 /nfs/dbraw/zinc/21/11/76/570211176.db2.gz SBXPHVNEVNTOSF-HXUWFJFHSA-N 0 0 397.475 3.471 10 30 GGEERN Cc1cccc(NC(=NC(=O)c2cccc(N(C)C)c2)NC[C@H]2CCCO2)c1 ZINC000046130444 570211349 /nfs/dbraw/zinc/21/13/49/570211349.db2.gz ZUFGCPXCBIQWTB-HXUWFJFHSA-N 0 0 380.492 3.438 10 30 GGEERN Cc1cccc(NC(=NC(=O)c2cccc(N(C)C)c2)NC[C@@H]2CCCO2)c1 ZINC000046130438 570211355 /nfs/dbraw/zinc/21/13/55/570211355.db2.gz ZUFGCPXCBIQWTB-FQEVSTJZSA-N 0 0 380.492 3.438 10 30 GGEERN Cc1ccc(NC(=NC(=O)c2ccc3c(c2)OCO3)NC[C@@H]2CCCO2)cc1 ZINC000046130305 570211412 /nfs/dbraw/zinc/21/14/12/570211412.db2.gz ZCCZRCUSLNOURR-KRWDZBQOSA-N 0 0 381.432 3.101 10 30 GGEERN COc1cc(OC)cc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cccc(C)c2)c1 ZINC000046130550 570211655 /nfs/dbraw/zinc/21/16/55/570211655.db2.gz FQLXYCGWRNGBIL-SFHVURJKSA-N 0 0 397.475 3.389 10 30 GGEERN CCc1ccccc1NC(=NC(=O)c1ccc2c(c1)OCO2)NC[C@@H]1CCCO1 ZINC000046131114 570211983 /nfs/dbraw/zinc/21/19/83/570211983.db2.gz NTRFPCBUZFGJOW-KRWDZBQOSA-N 0 0 395.459 3.355 10 30 GGEERN CCc1cccc(NC(=NC(=O)c2cccc(C)c2)NCCN2CCOCC2)c1 ZINC000046134292 570212456 /nfs/dbraw/zinc/21/24/56/570212456.db2.gz NFUJHFRABCPUIF-UHFFFAOYSA-N 0 0 394.519 3.088 10 30 GGEERN Cc1ccc(C(=O)N=C(NCCN2CCOCC2)Nc2cccc(C)c2C)cc1 ZINC000046134636 570212478 /nfs/dbraw/zinc/21/24/78/570212478.db2.gz ZZDUNEIPKHHJCL-UHFFFAOYSA-N 0 0 394.519 3.142 10 30 GGEERN Cc1cccc(C(=O)N=C(NCCN2CCOCC2)Nc2ccc(C)cc2C)c1 ZINC000046133979 570212720 /nfs/dbraw/zinc/21/27/20/570212720.db2.gz FKHGFZRVGIWWEP-UHFFFAOYSA-N 0 0 394.519 3.142 10 30 GGEERN COc1ccc(NC(=NC(=O)c2cccc(C)c2)NC[C@@H]2CCCO2)cc1OC ZINC000046132347 570212963 /nfs/dbraw/zinc/21/29/63/570212963.db2.gz CSLBWQAIQYOGJN-SFHVURJKSA-N 0 0 397.475 3.389 10 30 GGEERN CCc1ccc(NC(=NC(=O)c2ccc(C)cc2)NCCN2CCOCC2)cc1 ZINC000046140743 570212985 /nfs/dbraw/zinc/21/29/85/570212985.db2.gz WLSGGYPDCDYZGX-UHFFFAOYSA-N 0 0 394.519 3.088 10 30 GGEERN COc1ccc(NC(=NC(=O)c2cccc(C)c2)NC[C@H]2CCCO2)cc1OC ZINC000046132351 570213026 /nfs/dbraw/zinc/21/30/26/570213026.db2.gz CSLBWQAIQYOGJN-GOSISDBHSA-N 0 0 397.475 3.389 10 30 GGEERN COc1ccc(NC(=NC(=O)c2ccc(C)cc2)NC[C@H]2CCCO2)cc1OC ZINC000046132383 570213048 /nfs/dbraw/zinc/21/30/48/570213048.db2.gz IPRZWFXQUDIHHL-GOSISDBHSA-N 0 0 397.475 3.389 10 30 GGEERN O=C(N=C(NC[C@@H]1CCCO1)Nc1cc(F)cc(F)c1)c1ccc(F)cc1 ZINC000046133148 570213362 /nfs/dbraw/zinc/21/33/62/570213362.db2.gz YGDCFBGSGDEFEQ-KRWDZBQOSA-N 0 0 377.366 3.481 10 30 GGEERN Cc1cc(C)n2nc(CCCNC(=O)[C@@H](C)Sc3ccccc3)c(C#N)c2n1 ZINC000048236096 570222174 /nfs/dbraw/zinc/22/21/74/570222174.db2.gz GNMRGMAUESLCQH-MRXNPFEDSA-N 0 0 393.516 3.447 10 30 GGEERN CC(C)Sc1ncccc1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000048288417 570227893 /nfs/dbraw/zinc/22/78/93/570227893.db2.gz JCIBXXMFEDVMDD-UHFFFAOYSA-N 0 0 397.504 3.282 10 30 GGEERN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000048288274 570228144 /nfs/dbraw/zinc/22/81/44/570228144.db2.gz NYHHYXGBRQNGBJ-HNNXBMFYSA-N 0 0 377.400 3.162 10 30 GGEERN Cc1nnc(-c2cc(CCC(C)C)n(-c3cccc(C(=O)NCCC#N)c3)n2)o1 ZINC000023319952 570262534 /nfs/dbraw/zinc/26/25/34/570262534.db2.gz UHDULFKANWSXKR-UHFFFAOYSA-N 0 0 392.463 3.463 10 30 GGEERN CC(C)[C@@H]1CN(C(=O)c2ccc(C#N)nc2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072144768 570312503 /nfs/dbraw/zinc/31/25/03/570312503.db2.gz CSWFQFVMIQYPRB-NRFANRHFSA-N 0 0 380.467 3.465 10 30 GGEERN CCn1c2ccccc2c2cc(N3c4nc(N)c(C#N)c(N)c4CC3=O)ccc21 ZINC000023968480 570340839 /nfs/dbraw/zinc/34/08/39/570340839.db2.gz XDBWTUZDQAZJJF-UHFFFAOYSA-N 0 0 382.427 3.466 10 30 GGEERN COc1ccc([C@@H](C)NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc1F ZINC000024909647 570340992 /nfs/dbraw/zinc/34/09/92/570340992.db2.gz JEYOFDCVNICOOI-GFCCVEGCSA-N 0 0 395.438 3.176 10 30 GGEERN COc1cccc(/N=C2/S[C@@H](C(=O)Nc3ccccc3OC)CC(=O)N2C)c1 ZINC000100369458 570355221 /nfs/dbraw/zinc/35/52/21/570355221.db2.gz BSPKIIPGXPCTJH-SGRLSNSRSA-N 0 0 399.472 3.294 10 30 GGEERN COc1ccc(OC)c([C@H](C)NC(=O)CCc2c(C)nn(CCC#N)c2C)c1 ZINC000023884366 570374860 /nfs/dbraw/zinc/37/48/60/570374860.db2.gz VZBIRGLECMVWCE-AWEZNQCLSA-N 0 0 384.480 3.241 10 30 GGEERN Cc1ccc2oc(=O)c3cnn(CC(=O)N(CCC#N)c4ccccc4)c3c2c1 ZINC000004961829 570383314 /nfs/dbraw/zinc/38/33/14/570383314.db2.gz PLKYZMMJFJHFDG-UHFFFAOYSA-N 0 0 386.411 3.398 10 30 GGEERN Cc1nc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)n(C[C@@H]2CCCO2)c1C ZINC000024514179 570385149 /nfs/dbraw/zinc/38/51/49/570385149.db2.gz KIVHEYGUGXUMIF-JTDSTZFVSA-N 0 0 378.542 3.214 10 30 GGEERN C[C@@H]1C=C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]1C(=O)Nc1cccc(C#N)c1 ZINC000248329308 570453469 /nfs/dbraw/zinc/45/34/69/570453469.db2.gz DEZBWTMTCQZVAI-DVMWJLJYSA-N 0 0 399.450 3.120 10 30 GGEERN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)Cc3sc(N)nc3O)sc2C1 ZINC000005901700 570461034 /nfs/dbraw/zinc/46/10/34/570461034.db2.gz FNHZLOATHWWYPT-RNCFNFMXSA-N 0 0 390.534 3.056 10 30 GGEERN COc1ccc(NC(=O)[C@H]2CC(=O)N(C)C(=Nc3ccccc3OC)S2)cc1 ZINC000252624289 570479334 /nfs/dbraw/zinc/47/93/34/570479334.db2.gz PKRYKQPEBGPGAA-QGZVFWFLSA-N 0 0 399.472 3.294 10 30 GGEERN Cc1nc(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c(C#N)c(C)c1C ZINC000005172459 570491516 /nfs/dbraw/zinc/49/15/16/570491516.db2.gz ZLCWAJLCMIJFBA-CQSZACIVSA-N 0 0 383.473 3.404 10 30 GGEERN CSc1ccccc1NC(=O)CN(C)[C@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000006638198 570511844 /nfs/dbraw/zinc/51/18/44/570511844.db2.gz TXJBBDSTEPUFRW-CQSZACIVSA-N 0 0 382.489 3.178 10 30 GGEERN CC(C)C[C@@H](C(=O)OCc1ccc(C#N)cc1)N1C(=O)c2ccccc2C1=O ZINC000006358042 570542037 /nfs/dbraw/zinc/54/20/37/570542037.db2.gz HWLPNUJTYBIPRX-IBGZPJMESA-N 0 0 376.412 3.312 10 30 GGEERN N#Cc1cccc(CN2c3ccccc3[C@@]3(SCCN3C(=O)C3CC3)C2=O)c1 ZINC000036166966 570556297 /nfs/dbraw/zinc/55/62/97/570556297.db2.gz JKVGQKMDLMFQJW-JOCHJYFZSA-N 0 0 389.480 3.243 10 30 GGEERN CC(C)(C)NC(=O)CN1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000022915034 570567118 /nfs/dbraw/zinc/56/71/18/570567118.db2.gz WTYUUHVETCPCOO-UHFFFAOYSA-N 0 0 390.531 3.258 10 30 GGEERN C=CCN1CCN(C(=O)Nc2cc(OC)c(OC)c(OC)c2)c2cccnc21 ZINC000064929548 570595739 /nfs/dbraw/zinc/59/57/39/570595739.db2.gz RWSDOCSUMXWJPH-UHFFFAOYSA-N 0 0 384.436 3.152 10 30 GGEERN CCSC1(SCC)N=C(N)[C@]2(C#N)[C@H](c3ccc(NC(C)=O)cc3)[C@@]21C#N ZINC000169705279 570624521 /nfs/dbraw/zinc/62/45/21/570624521.db2.gz MBGYGJSJKDGOIS-SZMVWBNQSA-N 0 0 399.545 3.293 10 30 GGEERN N#CCCn1ccc(NC(=O)C(=O)N(Cc2ccco2)c2ccc(Cl)cc2)n1 ZINC000225854538 570626991 /nfs/dbraw/zinc/62/69/91/570626991.db2.gz BDFBOOCUGJDXNU-UHFFFAOYSA-N 0 0 397.822 3.215 10 30 GGEERN C#CCN(Cc1ccco1)C(=O)N[C@H]1CCN(c2cc(Cl)ccc2OC)C1 ZINC000072313332 570651372 /nfs/dbraw/zinc/65/13/72/570651372.db2.gz IJVLJJMPLVDDHA-INIZCTEOSA-N 0 0 387.867 3.365 10 30 GGEERN Cc1c(C)n(C[C@@H]2CCCO2)c(NC(=O)CN2CCc3ccccc3C2)c1C#N ZINC000036384994 570657198 /nfs/dbraw/zinc/65/71/98/570657198.db2.gz KFWWLLWYTBNYIA-FQEVSTJZSA-N 0 0 392.503 3.152 10 30 GGEERN CCCNC(=O)c1ccc(Cn2c(SCC#N)nc3ccccc3c2=O)cc1 ZINC000012414599 570668554 /nfs/dbraw/zinc/66/85/54/570668554.db2.gz KMRQJYXHSRKVMA-UHFFFAOYSA-N 0 0 392.484 3.200 10 30 GGEERN Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc(C#N)c2)c(C)c1 ZINC000025053580 570706890 /nfs/dbraw/zinc/70/68/90/570706890.db2.gz ARYLKYYIEJZORY-LJQANCHMSA-N 0 0 397.500 3.275 10 30 GGEERN N#C[C@@H](c1nc2ccccc2nc1N1CCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000006942936 570715415 /nfs/dbraw/zinc/71/54/15/570715415.db2.gz PNZVKGZSGBYOFT-SFHVURJKSA-N 0 0 396.447 3.408 10 30 GGEERN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)OCc1cn2ccccc2c1C#N ZINC000032682316 570737645 /nfs/dbraw/zinc/73/76/45/570737645.db2.gz XGRVSOCTVJNWFR-FQEVSTJZSA-N 0 0 393.418 3.448 10 30 GGEERN CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)OCc1cn2ccccc2c1C#N ZINC000032682314 570737676 /nfs/dbraw/zinc/73/76/76/570737676.db2.gz XGRVSOCTVJNWFR-HXUWFJFHSA-N 0 0 393.418 3.448 10 30 GGEERN Cc1c(Cl)cnc(NC(=O)COC(=O)COc2ccccc2C#N)c1Cl ZINC000007015577 570741144 /nfs/dbraw/zinc/74/11/44/570741144.db2.gz NDDVTGMEHBSKOG-UHFFFAOYSA-N 0 0 394.214 3.129 10 30 GGEERN CC(=O)N1c2ccccc2CC2=C(C(=O)CC(C)(C)N2)[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000096602699 570775191 /nfs/dbraw/zinc/77/51/91/570775191.db2.gz VRVMASZDYMGLDW-FQEVSTJZSA-N 0 0 395.415 3.433 10 30 GGEERN N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)Cc1cccc2ccccc21 ZINC000007141050 570803866 /nfs/dbraw/zinc/80/38/66/570803866.db2.gz CJPMIRNJQGSPSU-UHFFFAOYSA-N 0 0 389.367 3.344 10 30 GGEERN N#CCCN(C(=O)CSc1nnc2[nH]c3ccccc3n21)c1ccc(F)cc1 ZINC000005932533 570805050 /nfs/dbraw/zinc/80/50/50/570805050.db2.gz KHDLSYMZZXNMAJ-UHFFFAOYSA-N 0 0 394.435 3.389 10 30 GGEERN CCOC(=O)c1cc(C#N)c(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)nc1C ZINC000007149693 570807202 /nfs/dbraw/zinc/80/72/02/570807202.db2.gz OEGMZGBPRRWKEK-STQMWFEESA-N 0 0 375.494 3.035 10 30 GGEERN CNC(=O)COc1ccc(/C=C2/COc3c(C)cc(C)cc3C2=O)cc1OC ZINC000063412047 570811483 /nfs/dbraw/zinc/81/14/83/570811483.db2.gz FAVNIGVBHGHXIJ-SXGWCWSVSA-N 0 0 381.428 3.096 10 30 GGEERN C=CCn1c(SCc2cc(C(C)=O)ccc2OC)nc2ncccc2c1=O ZINC000031614953 570817855 /nfs/dbraw/zinc/81/78/55/570817855.db2.gz RFYLMWJLXOTWCY-UHFFFAOYSA-N 0 0 381.457 3.481 10 30 GGEERN COCCCn1c(Sc2ncccc2C#N)nc2sc3c(c2c1=O)CCC3 ZINC000012522003 570828356 /nfs/dbraw/zinc/82/83/56/570828356.db2.gz MACRAHSMCIONSE-UHFFFAOYSA-N 0 0 398.513 3.401 10 30 GGEERN CCCCCCC[C@]1(C)NC(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O ZINC000101661168 570828533 /nfs/dbraw/zinc/82/85/33/570828533.db2.gz LXWHTUDVXQIKFJ-FQEVSTJZSA-N 0 0 377.460 3.113 10 30 GGEERN N#Cc1c(CN(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cn2ccccc12 ZINC000032825255 570839295 /nfs/dbraw/zinc/83/92/95/570839295.db2.gz OSGUJUMIKXJBNM-MRXNPFEDSA-N 0 0 385.514 3.062 10 30 GGEERN Cc1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)c(C#N)c1C ZINC000032827209 570840812 /nfs/dbraw/zinc/84/08/12/570840812.db2.gz PVEVSBBYPZIANX-UHFFFAOYSA-N 0 0 393.490 3.257 10 30 GGEERN COC(=O)c1sc(N2CCN(Cc3ccc(C#N)cc3)C[C@@H]2C)nc1Cl ZINC000170596347 570854808 /nfs/dbraw/zinc/85/48/08/570854808.db2.gz PYVOSDJSPHOBFM-LBPRGKRZSA-N 0 0 390.896 3.165 10 30 GGEERN CCOc1ccc(C2=Nc3ncnn3/C2=N/Cc2ccc(F)cc2)cc1OC ZINC000102651077 570855494 /nfs/dbraw/zinc/85/54/94/570855494.db2.gz DHSBJCBJYHMZCV-ZBJSNUHESA-N 0 0 379.395 3.406 10 30 GGEERN CCc1ccc(C(=O)N=C(Nc2ccc(C)cc2)N2CCN(C(C)=O)CC2)cc1 ZINC000033251312 570860109 /nfs/dbraw/zinc/86/01/09/570860109.db2.gz LHRIXIAUSFKSEB-UHFFFAOYSA-N 0 0 392.503 3.330 10 30 GGEERN COc1ccc2nc(C(=O)O[C@@H](C)C(=O)Nc3cccc(C#N)c3)ccc2c1 ZINC000032868697 570861683 /nfs/dbraw/zinc/86/16/83/570861683.db2.gz YHELVMAJWJLELP-ZDUSSCGKSA-N 0 0 375.384 3.299 10 30 GGEERN CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCC3)c1C ZINC000003369661 570863471 /nfs/dbraw/zinc/86/34/71/570863471.db2.gz GNPORCDOSPSITI-UHFFFAOYSA-N 0 0 399.472 3.442 10 30 GGEERN Cn1c(SCC(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1ccco1 ZINC000003565105 570875170 /nfs/dbraw/zinc/87/51/70/570875170.db2.gz QQBJQCNHSQTLKC-UHFFFAOYSA-N 0 0 385.424 3.253 10 30 GGEERN C[C@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)c1c[nH]c2ccccc21 ZINC000007564426 570884478 /nfs/dbraw/zinc/88/44/78/570884478.db2.gz YGIDTJUFJIQMJO-ZDUSSCGKSA-N 0 0 375.384 3.448 10 30 GGEERN C[C@@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)c1c[nH]c2ccccc21 ZINC000007564427 570884632 /nfs/dbraw/zinc/88/46/32/570884632.db2.gz YGIDTJUFJIQMJO-CYBMUJFWSA-N 0 0 375.384 3.448 10 30 GGEERN C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nc2ccsc2c1=O ZINC000011269248 570914422 /nfs/dbraw/zinc/91/44/22/570914422.db2.gz DMQKTILEQVIBRI-UHFFFAOYSA-N 0 0 387.486 3.383 10 30 GGEERN Cc1cc(C)n2nc(CCCNc3ccc([N+](=O)[O-])cc3C#N)c(C#N)c2n1 ZINC000032913368 570921046 /nfs/dbraw/zinc/92/10/46/570921046.db2.gz MKKBBLIIGIUJOJ-UHFFFAOYSA-N 0 0 375.392 3.042 10 30 GGEERN CCOC(=O)c1ccc(Oc2nc3ccccc3nc2[C@@H](C#N)C(=O)OC)cc1 ZINC000032923281 570934930 /nfs/dbraw/zinc/93/49/30/570934930.db2.gz OGMABMKPYYDCSO-OAHLLOKOSA-N 0 0 391.383 3.379 10 30 GGEERN Cc1nc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)n(C[C@H]2CCCO2)c1C ZINC000252452876 570958470 /nfs/dbraw/zinc/95/84/70/570958470.db2.gz KIVHEYGUGXUMIF-GPMSIDNRSA-N 0 0 378.542 3.214 10 30 GGEERN Cc1nc(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n(C[C@H]2CCCO2)c1C ZINC000252452877 570958510 /nfs/dbraw/zinc/95/85/10/570958510.db2.gz KIVHEYGUGXUMIF-MDZRGWNJSA-N 0 0 378.542 3.214 10 30 GGEERN O=C1C(=NN=c2[nH]ccs2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1 ZINC000252460086 570959697 /nfs/dbraw/zinc/95/96/97/570959697.db2.gz BMTKJWXDAVWSPV-UHFFFAOYSA-N 0 0 392.400 3.270 10 30 GGEERN CCCCCOc1ccc(CN2c3ccccc3C(=NNC(N)=S)C2=O)cc1 ZINC000252474915 570964286 /nfs/dbraw/zinc/96/42/86/570964286.db2.gz OPVHRNAJEAETAR-UHFFFAOYSA-N 0 0 396.516 3.340 10 30 GGEERN COc1cccc(C(=O)N=C(NCc2ccc3c(c2)OCO3)OCC(C)C)c1 ZINC000004753287 570964371 /nfs/dbraw/zinc/96/43/71/570964371.db2.gz MVBFUKDCLIWWNU-UHFFFAOYSA-N 0 0 384.432 3.383 10 30 GGEERN CC(C)NC(=O)c1ccc(OC[C@@H]2CCCN2C(=O)c2ccc(C#N)cc2)cc1 ZINC000033310890 570969872 /nfs/dbraw/zinc/96/98/72/570969872.db2.gz XLRRAZQSCSHEQL-FQEVSTJZSA-N 0 0 391.471 3.380 10 30 GGEERN C#CCN(Cc1cccnc1)C(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 ZINC000072269985 570970775 /nfs/dbraw/zinc/97/07/75/570970775.db2.gz FZVJBQMXWQNZHJ-UHFFFAOYSA-N 0 0 397.500 3.465 10 30 GGEERN C#Cc1cccc(NC(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2=O)c1 ZINC000072286659 570970997 /nfs/dbraw/zinc/97/09/97/570970997.db2.gz KXPFBBCQMOTGQS-HNNXBMFYSA-N 0 0 385.370 3.196 10 30 GGEERN COc1ccc([C@@H]2[C@@H](Oc3cccc(C#N)c3)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000107576957 570975031 /nfs/dbraw/zinc/97/50/31/570975031.db2.gz YZFJZSXYANGXAU-NJDAHSKKSA-N 0 0 378.428 3.077 10 30 GGEERN CC[C@@H](C(=O)Nc1cccc(C#N)c1)n1ncc(-c2ccc(Cl)cc2)nc1=O ZINC000033324690 570979176 /nfs/dbraw/zinc/97/91/76/570979176.db2.gz HRNBLELTDKANMJ-SFHVURJKSA-N 0 0 393.834 3.420 10 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/nfs/dbraw/zinc/00/43/20/571004320.db2.gz CWWPPHYHFZSTSA-QGZVFWFLSA-N 0 0 396.472 3.009 10 30 GGEERN CNC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)cc2)C(=Nc2ccccc2)S1 ZINC000252601433 571005545 /nfs/dbraw/zinc/00/55/45/571005545.db2.gz FAPLAJGQBZFBKO-GOSISDBHSA-N 0 0 397.500 3.006 10 30 GGEERN COc1ccccc1N=C1S[C@H](C(=O)Nc2ccc(F)cc2)CC(=O)N1C ZINC000252602755 571006015 /nfs/dbraw/zinc/00/60/15/571006015.db2.gz FKXLYBFRCPUMMH-INIZCTEOSA-N 0 0 387.436 3.424 10 30 GGEERN CCC1N=NC(=S)N1N=Cc1ccc(OCc2ccccc2C#N)c(OC)c1 ZINC000252608129 571008062 /nfs/dbraw/zinc/00/80/62/571008062.db2.gz HGXKYDCRBDVJEW-UHFFFAOYSA-N 0 0 393.472 3.471 10 30 GGEERN N#Cc1ccc(N2CC[C@H](OC(=O)c3cc4c(cc3O)CCCC4)C2=O)cc1 ZINC000084383894 571016722 /nfs/dbraw/zinc/01/67/22/571016722.db2.gz CNBJAQXMWLZYAU-FQEVSTJZSA-N 0 0 376.412 3.105 10 30 GGEERN Cc1ccc(C2N=NC(=S)N2N=Cc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000252614253 571017311 /nfs/dbraw/zinc/01/73/11/571017311.db2.gz JHSHZSHHMVBZBH-UHFFFAOYSA-N 0 0 383.389 3.061 10 30 GGEERN 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/nfs/dbraw/zinc/02/39/17/571023917.db2.gz DNHCPIWIRVUYRQ-SFHVURJKSA-N 0 0 397.475 3.389 10 30 GGEERN Cc1noc(C)c1CSCC(=O)OCC(=O)Nc1c(C#N)oc2ccccc21 ZINC000007737899 571029579 /nfs/dbraw/zinc/02/95/79/571029579.db2.gz XESQFPSKIWLSIQ-UHFFFAOYSA-N 0 0 399.428 3.324 10 30 GGEERN Fc1cccc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1 ZINC000252623724 571035439 /nfs/dbraw/zinc/03/54/39/571035439.db2.gz OXVIJKYZBOUHBQ-UHFFFAOYSA-N 0 0 383.475 3.437 10 30 GGEERN COc1ccc(NC(=O)[C@@H]2CC(=O)N(C)C(=Nc3ccccc3OC)S2)cc1 ZINC000252624288 571037276 /nfs/dbraw/zinc/03/72/76/571037276.db2.gz PKRYKQPEBGPGAA-KRWDZBQOSA-N 0 0 399.472 3.294 10 30 GGEERN COc1ccc(CN=Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 ZINC000252624406 571037759 /nfs/dbraw/zinc/03/77/59/571037759.db2.gz PNKJXVGZTYFWQW-UHFFFAOYSA-N 0 0 395.511 3.307 10 30 GGEERN COc1ccc(N=C2S[C@H](C(=O)Nc3ccccc3F)CC(=O)N2C)cc1 ZINC000252624551 571038271 /nfs/dbraw/zinc/03/82/71/571038271.db2.gz PQNQEUSJHZHSAV-INIZCTEOSA-N 0 0 387.436 3.424 10 30 GGEERN 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/nfs/dbraw/zinc/32/44/31/1398324431.db2.gz JSVLKXRYBHAFMF-UHFFFAOYSA-N 0 0 389.454 3.202 10 30 GGEERN COc1ccc(/C=C/C(=O)ONC(=O)c2ccc(OC(F)F)cc2)cc1OC ZINC000003205673 1398327727 /nfs/dbraw/zinc/32/77/27/1398327727.db2.gz UAINRICTMSZUJD-ONNFQVAWSA-N 0 0 393.342 3.207 10 30 GGEERN CCOC(=O)C(=NNc1cc(C(F)(F)F)ccc1Cl)NC[C@@H]1CCCO1 ZINC000003179372 1398327797 /nfs/dbraw/zinc/32/77/97/1398327797.db2.gz OTKPWYSTEKNGOA-NSHDSACASA-N 0 0 393.793 3.416 10 30 GGEERN COc1cc2nc3c(C#N)cc4cc5ccccc5nc4n3c(=O)c2cc1OC ZINC000003182734 1398327875 /nfs/dbraw/zinc/32/78/75/1398327875.db2.gz SNIQFUDOXTZMCK-UHFFFAOYSA-N 0 0 382.379 3.438 10 30 GGEERN COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)N(C)C(=O)N2C)cc(OC)c1OC ZINC000003218528 1398328671 /nfs/dbraw/zinc/32/86/71/1398328671.db2.gz ZQGCGBPKJBHZDK-GOSISDBHSA-N 0 0 388.464 3.394 10 30 GGEERN CCOc1ccc(Br)cc1S(=O)(=O)N=C1CCCCCN1 ZINC000003227720 1398329235 /nfs/dbraw/zinc/32/92/35/1398329235.db2.gz LDZGOFQKZNKELE-UHFFFAOYSA-N 0 0 375.288 3.099 10 30 GGEERN 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/nfs/dbraw/zinc/37/12/42/1398371242.db2.gz SEEVHIFLJNKUMG-UHFFFAOYSA-N 0 0 385.876 3.433 10 30 GGEERN CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000006325259 1398542060 /nfs/dbraw/zinc/54/20/60/1398542060.db2.gz FEVIZUQACBACPH-NTEUORMPSA-N 0 0 383.473 3.241 10 30 GGEERN CSc1ncc(Cl)c(C(=O)[C@H](C#N)c2nc3c(C)cc(C)cc3c(=O)[nH]2)n1 ZINC000008617383 1398841933 /nfs/dbraw/zinc/84/19/33/1398841933.db2.gz KJZOLVWHUCVZNE-NSHDSACASA-N 0 0 399.863 3.195 10 30 GGEERN CCOc1cc(/C=C/C(=O)c2ccc(C#N)cc2)ccc1OCC(=O)N(C)C ZINC000008777196 1398846608 /nfs/dbraw/zinc/84/66/08/1398846608.db2.gz FFVSZDNGOBYYHT-YRNVUSSQSA-N 0 0 378.428 3.320 10 30 GGEERN C=CCn1c(SCC(=O)NCc2ccccc2C)nc2ccsc2c1=O ZINC000009690772 1398863957 /nfs/dbraw/zinc/86/39/57/1398863957.db2.gz JPZBTRDXBLZAEA-UHFFFAOYSA-N 0 0 385.514 3.361 10 30 GGEERN C=CCOc1ccc(CN(C)C(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000009721581 1398864849 /nfs/dbraw/zinc/86/48/49/1398864849.db2.gz VONSAVSCTFEKDA-UHFFFAOYSA-N 0 0 391.471 3.469 10 30 GGEERN COc1ccccc1NC(=O)CSc1nc2c(cc1C#N)C1CCN2CC1 ZINC000020512612 1399347795 /nfs/dbraw/zinc/34/77/95/1399347795.db2.gz WTSYDYDQTZLZAP-UHFFFAOYSA-N 0 0 380.473 3.390 10 30 GGEERN COc1cc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ncnn32)ccc1O ZINC000021658564 1399398501 /nfs/dbraw/zinc/39/85/01/1399398501.db2.gz OFQLCGGEVGBXIW-QVKFZJNVSA-N 0 0 388.427 3.408 10 30 GGEERN Cc1nccc(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)n1 ZINC000056638265 1407388673 /nfs/dbraw/zinc/38/86/73/1407388673.db2.gz DZIFKOXMOIIVJO-UHFFFAOYSA-N 0 0 386.415 3.231 10 30 GGEERN C[C@H](NC(=O)CSCc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000049614443 1405386779 /nfs/dbraw/zinc/38/67/79/1405386779.db2.gz BWXLLXZCNSFPLQ-AWEZNQCLSA-N 0 0 388.514 3.072 10 30 GGEERN Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3nc(O)c[nH]3)c2c1C ZINC000050223186 1405524252 /nfs/dbraw/zinc/52/42/52/1405524252.db2.gz AKNCMOYAHPZLCZ-UHFFFAOYSA-N 0 0 397.485 3.250 10 30 GGEERN Cc1cccc(N(CCC#N)C(=O)CN2CCN(Cc3ccccc3)CC2)c1C ZINC000051128971 1405727732 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COc1ccc(C(C)=O)cc1COC(=O)CON=C(C)c1ccc2c(c1)OCO2 ZINC000254527919 1433871459 /nfs/dbraw/zinc/87/14/59/1433871459.db2.gz KJBWQUIQBOOZTN-UHFFFAOYSA-N 0 0 399.399 3.111 10 30 GGEERN COc1cccc(C=NN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)c1 ZINC000254577387 1433871550 /nfs/dbraw/zinc/87/15/50/1433871550.db2.gz DVYIGNAASIEFQM-IBGZPJMESA-N 0 0 389.358 3.098 10 30 GGEERN CSc1ccc(C=Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000254554969 1433871597 /nfs/dbraw/zinc/87/15/97/1433871597.db2.gz MMCZMQBWONEAPJ-UHFFFAOYSA-N 0 0 376.503 3.180 10 30 GGEERN COc1cc(C=NN2C(=O)c3ccccc3C2=O)ccc1OC(=O)c1ccco1 ZINC000254623224 1433871607 /nfs/dbraw/zinc/87/16/07/1433871607.db2.gz ICXGJQJIAGFWMF-UHFFFAOYSA-N 0 0 390.351 3.138 10 30 GGEERN COc1ccc(C=c2sc3c(C#N)cc(C(=O)c4ccccc4)n3c2=O)cc1 ZINC000254667680 1433871717 /nfs/dbraw/zinc/87/17/17/1433871717.db2.gz HOLCCCFIYBKJTQ-UHFFFAOYSA-N 0 0 386.432 3.020 10 30 GGEERN C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(N=Cc2c(F)cccc2F)C1=O ZINC000254759915 1433871885 /nfs/dbraw/zinc/87/18/85/1433871885.db2.gz YVBQIBFREZAFTR-GOSISDBHSA-N 0 0 395.312 3.367 10 30 GGEERN CCc1ccc(C(=O)COC(=O)CON=C(C)c2ccc3c(c2)OCO3)cc1 ZINC000254817586 1433872038 /nfs/dbraw/zinc/87/20/38/1433872038.db2.gz ZOKDRELTHVFTQZ-UHFFFAOYSA-N 0 0 383.400 3.144 10 30 GGEERN C[C@@H]1C[C@H](C)CN(C(=O)CON=CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000254866747 1433872290 /nfs/dbraw/zinc/87/22/90/1433872290.db2.gz RHFYGWZRNHQSAS-BETUJISGSA-N 0 0 385.386 3.151 10 30 GGEERN O=C(CCNC(=O)C1N=CC=CC1=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000255420469 1433882479 /nfs/dbraw/zinc/88/24/79/1433882479.db2.gz FNTMCGYRBJCPQF-VCGVYRDQSA-N 0 0 389.455 3.003 10 30 GGEERN O=C(CCNC(=O)C1N=CC=CC1=O)N(CCc1ccccc1)c1ccccc1 ZINC000255719627 1433888481 /nfs/dbraw/zinc/88/84/81/1433888481.db2.gz HVOQHMDRGKNDEI-GHVJWSGMSA-N 0 0 389.455 3.179 10 30 GGEERN O=c1c2c(-c3ccccc3)csc2ncn1N=Cc1ccc(O)c(O)c1O ZINC000263627786 1434014027 /nfs/dbraw/zinc/01/40/27/1434014027.db2.gz ZFAAARYFJDCGOF-UHFFFAOYSA-N 0 0 379.397 3.124 10 30 GGEERN COc1ccc(NC(=O)[C@H](C)ON=C(C)c2ccc(NC(C)=O)cc2)cc1OC ZINC000263622133 1434014069 /nfs/dbraw/zinc/01/40/69/1434014069.db2.gz KDCZHPUYFUKGFH-AWEZNQCLSA-N 0 0 399.447 3.430 10 30 GGEERN COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(C#N)c2)cc1OC ZINC000264145244 1434075737 /nfs/dbraw/zinc/07/57/37/1434075737.db2.gz YYRVWWIPSJYLQU-KRWDZBQOSA-N 0 0 390.436 3.240 10 30 GGEERN Cc1ccn2cc(CNC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)nc2c1 ZINC000264259839 1434088995 /nfs/dbraw/zinc/08/89/95/1434088995.db2.gz DQOGHAOUFBKLPE-UHFFFAOYSA-N 0 0 389.459 3.267 10 30 GGEERN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000265513990 1434241206 /nfs/dbraw/zinc/24/12/06/1434241206.db2.gz FOAUCJYFHJXVMA-CQSZACIVSA-N 0 0 385.851 3.270 10 30 GGEERN O=C(CCNC(=O)C1N=CC=CC1=O)Nc1cccc(COC2CCCCC2)c1 ZINC000266811601 1434378027 /nfs/dbraw/zinc/37/80/27/1434378027.db2.gz FVPRTKVYQQBYSV-DQRAZIAOSA-N 0 0 397.475 3.391 10 30 GGEERN Cc1ccc(SC2(C(=O)NCCNC(=O)C3N=CC=CC3=O)CCCC2)cc1 ZINC000267452630 1434435098 /nfs/dbraw/zinc/43/50/98/1434435098.db2.gz GRHBEQLOBPHUFP-HNENSFHCSA-N 0 0 399.516 3.043 10 30 GGEERN C=CCNc1ncc(C(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)s1 ZINC000269508467 1434655077 /nfs/dbraw/zinc/65/50/77/1434655077.db2.gz HJIJSEAHDYJTNM-UHFFFAOYSA-N 0 0 380.514 3.118 10 30 GGEERN C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000272660728 1434920770 /nfs/dbraw/zinc/92/07/70/1434920770.db2.gz HHXDZUOOFYJXBI-KGLIPLIRSA-N 0 0 387.461 3.264 10 30 GGEERN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1ccc(OC2COC2)cc1 ZINC000275573124 1435149508 /nfs/dbraw/zinc/14/95/08/1435149508.db2.gz GMANCLZIOBCIRP-MRXNPFEDSA-N 0 0 395.459 3.220 10 30 GGEERN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2cc(C#N)ccn2)cc1 ZINC000276642160 1435222390 /nfs/dbraw/zinc/22/23/90/1435222390.db2.gz XRTYDPAPDAVFDE-IYBDPMFKSA-N 0 0 392.459 3.374 10 30 GGEERN C=CCN1CC[C@H](Sc2nnc(COc3ccc(C)cc3)n2CC=C)C1=O ZINC000280898626 1435738593 /nfs/dbraw/zinc/73/85/93/1435738593.db2.gz DOILESDNJYBZQG-KRWDZBQOSA-N 0 0 384.505 3.231 10 30 GGEERN N#Cc1ccccc1OCc1cccc(C(=O)N[C@H]2CCC(=O)NC23CCC3)c1 ZINC000282597690 1435853049 /nfs/dbraw/zinc/85/30/49/1435853049.db2.gz HOIVLKZELFLJJT-FQEVSTJZSA-N 0 0 389.455 3.068 10 30 GGEERN C[C@@H](C#N)CN(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCCCO1 ZINC000282855572 1435863166 /nfs/dbraw/zinc/86/31/66/1435863166.db2.gz AZWXGGIKVJFZAR-JKSUJKDBSA-N 0 0 387.459 3.161 10 30 GGEERN CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCCO1 ZINC000282918637 1435866029 /nfs/dbraw/zinc/86/60/29/1435866029.db2.gz FRBYSZHNZLCJOK-IBGZPJMESA-N 0 0 383.496 3.249 10 30 GGEERN C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@H]1CCOC1 ZINC000282934716 1435866696 /nfs/dbraw/zinc/86/66/96/1435866696.db2.gz HCWBKOTWOFVSEO-CHWSQXEVSA-N 0 0 377.851 3.370 10 30 GGEERN C[C@@H](C#N)CN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCOC1 ZINC000283284911 1435882804 /nfs/dbraw/zinc/88/28/04/1435882804.db2.gz GSIFFBCIFURCBR-LSDHHAIUSA-N 0 0 389.887 3.143 10 30 GGEERN